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Folding encapsulation toward Lindqvist polyoxometalates within adaptive coordination cages for catalysis

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Science China Chemistry 2024年

作者： Ying-Mei Zhong Jin-Jin Xuan Xu-Jie Qin Han xiao zi-Jun xia Li-Peng Zhou xiao-Qing Guo Yu-Hang Hu Lu Zhang Chun-Sen Li Li-Xuan Cai Qing-Fu sun State Key Laboratory of Structural Chemistry Fujian Institute of Research on the Structure of Matter Chinese Academy of Sciences College of Chemistry and Materials Science Fujian Normal University University of Chinese Academy of Sciences

In nature,enzymes at specific folded conformations exhibit high substrate complementarity,enabling them to efficiently and selectively catalyze biochemical *** by enzymes,coordination cages with conformational dynamics have been designed and are receiving increasing attention due to their versatile applications in allosteric guest binding and *** present here two enzyme-mimicking adaptive macrocycle-based coordination cages,Pd2L12and Pd2L22,from macrocycle-based ligands（L1and L2） and the encapsulation and stabilization of Lindqvist polyoxometalates anions M6O192-（M=W or Mo） in neutral aqueous solution.X-ray crystallographic studies have verified the formation of 1:1 host-guest complexes of two Pd2 L2 cages and the W6O192-anion,via an induced-fit folding *** with the free host,Pd2L12exhibited an induced-fit semi-folded conformation in the inclusion complex,while Pd2L22adopted an induced-fit fully-folded ***,the Mo6O19?Pd2L2host-guest complexes demonstrate high yield and selectivity in the oxidative decontamination reaction of the sulfur mustard simulant,2-chloroethyl ethyl *** work not only sheds light on the importance of conformational adaptability in enzyme-like systems but also paves the way for protecting labile POM clusters via host-guest encapsulation toward enhanced catalytic performance in aqueous solution.

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siRNA沉默DJ-1通过PTEN/Akt通路对人胃癌细胞影响机制

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中华肿瘤防治杂志 2024年第13期31卷 807-817页

作者：汤欢夏红刘芳苏坚苏波苏琦南华大学肿瘤研究所湖南省肿瘤细胞与分子病理学重点实验室永州市中心医院肿瘤科南华大学附属第二医院病理科南华大学药学与药理学研究所湖南省高校药物蛋白质组学重点实验室

目的探讨siRNA沉默DJ-1基因体内外对人胃癌MGC803细胞的影响机制。方法构建沉默DJ-1基因MGC803细胞；四甲基偶氮唑蓝(MTT)比色法、平板克隆、细胞划痕和侵袭实验检测沉默DJ-1基因对MGC803细胞增殖、克隆形成、迁移与侵袭的影响；实时... 详细信息

目的探讨siRNA沉默DJ-1基因体内外对人胃癌MGC803细胞的影响机制。方法构建沉默DJ-1基因MGC803细胞；四甲基偶氮唑蓝(MTT)比色法、平板克隆、细胞划痕和侵袭实验检测沉默DJ-1基因对MGC803细胞增殖、克隆形成、迁移与侵袭的影响；实时荧光定量PCR(qRT-PCR)和蛋白质印迹法检测DJ-1、PTEN、Akt、p-Akt、Snail、Vimentin、E-cadherin、基质金属蛋白酶9(MMP-9)与基质金属蛋白酶组织抑制因子3(TIMP3)的表达；相差显微镜观察DJ-1沉默对MGC803细胞形态学的影响；裸鼠实验检测DJ-1沉默对MGC803细胞移植瘤的影响。结果分别用4组si-DJ-1及si-NC质粒转染MGC803细胞，其中si-DJ-1A组DJ-1 mRNA与蛋白表达下调较为显著(P<0.001),则后续选用si-DJ-1A作为稳定沉默DJ-1基因MGC803细胞。MTT法检测结果显示，24、48和72 h后，si-DJ-1组增殖活性分别较MGC803对照组和si-NC组降低，均P<0.001。克隆形成实验显示，si-DJ-1组克隆形成数较对照组与si-NC组减少，P<0.001。划痕实验结果显示，si-DJ-1组迁移距离[(199.21±14.74)μm]较对照组[(302.62±17.70)μm]和si-NC组[(304.49±13.55)μm]缩短，P<0.001。侵袭实验显示，si-DJ-1组侵袭细胞数[(44.80±5.10)个]较对照组[(83.80±5.80)个]和si-NC组[(82.80±5.80)个]减少，P<0.001。与对照组和si-NC组相比，si-DJ-1组DJ-1 mRNA(F=18.350,P=0.003)、Snail mRNA(F=26.320,P<0.001)、Vimentin mRNA(F=44.379,P<0.001)与MMP-9 mRNA(F=57.450,P<0.001)下调，而E-cadherin mRNA(F=94.529,P<0.001)与TIMP3 mRNA(F=16.480,P=0.004)上调；si-DJ-1组DJ-1(F=6.393,P=0.004)、p-Akt (F=12.980,P=0.007)、Snail(F=381.000,P<0.001)、Vimentin(F=99.750,P<0.001)与MMP-9(F=126.800,P<0.001)蛋白下调，而PTEN (F=36.880,P<0.001)、E-cadherin(F=181.000,P<0.001)与TIMP3(F=217.800,P<0.001)上调。相差显微镜显示，si-DJ-1组纤维母细胞样长梭形细胞肿瘤干细胞减少，圆形与椭圆形细胞增多，异型性下降。体内实验表明，si-DJ-1组移植瘤生长速度较对照组减慢，si-DJ-1组移植瘤质量[(0.51±0.05) g]较对照组[(0.90±0.16) g]减小，t=5.273,P<0.001。si-DJ-1组较对照组DJ-1、Ki-67、Vimentin和CD-34阳性表达降低，而PTEN和E-cadherin表达增强。结论 DJ-1沉默可通过PTEN/Akt通路体内外抑制MGC803细胞增殖、迁移、侵袭与上皮细胞-间充质转化。

关键词：人胃癌MGC803细胞 DJ-1沉默 PTEN/Akt通路增殖迁移侵袭上皮-间质转化

面向PyPI生态系统的漏洞影响范围细粒度评估方法

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软件学报 2024年第10期35卷 4493-4509页

作者：王梓博贾相堃应凌云苏璞睿中国科学院软件研究所北京100190 中国科学院大学北京100049 奇安信技术研究院北京100044

Python语言的开放性和易用性使其成为最常用的编程语言之一.其形成的PyPI生态系统在为开发者提供便利的同时,也成为攻击者进行漏洞攻击的重要目标.在发现Python漏洞之后,如何准确、全面地评估漏洞影响范围是应对Python漏洞的关键.然而... 详细信息

Python语言的开放性和易用性使其成为最常用的编程语言之一.其形成的PyPI生态系统在为开发者提供便利的同时,也成为攻击者进行漏洞攻击的重要目标.在发现Python漏洞之后,如何准确、全面地评估漏洞影响范围是应对Python漏洞的关键.然而当前的Python漏洞影响范围评估方法主要依靠包粒度的依赖关系分析,会产生大量误报;现有的函数粒度的Python程序分析方法由于上下文不敏感等导致存在准确性问题,应用于实际的漏洞影响范围评估也会产生误报.提出一种基于静态分析的面向PyPI生态系统的漏洞影响范围评估方法PyVul++.首先构建PyPI生态系统的索引,然后通过漏洞函数识别发现受漏洞影响的候选包,进一步通过漏洞触发条件验证漏洞包,实现函数粒度的漏洞影响范围评估.PyVul++改进了Python代码函数粒度的调用分析能力,在基于PyCG的测试集上的分析结果优于其他工具(精确率86.71%,召回率83.20%).通过PyVul++对10个Python CVE漏洞进行PyPI生态系统(385855个包)影响范围评估,相比于pip-audit等工具发现了更多漏洞包且降低了误报.此外,在10个Python CVE漏洞影响范围评估实验中,PyVul++新发现了目前PyPI生态系统中仍有11个包存在引用未修复的漏洞函数的安全问题.

关键词： PyPI生态系统漏洞影响范围函数粒度评估静态分析

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基于融合和区域特征分析的船型设计开发研究

船舶力学 2024年第5期28卷 637-650页

作者：郑安燃孙文愈苏甲王艳霞中国船舶科学研究中心江苏无锡214082 深海技术科学太湖实验室江苏无锡214082

本文以某80000吨级散货船为优化对象,应用基于融合和区域特征分析的两种新船型几何设计技术,结合船舶CFD阻力和自航评估技术,开展以设计吃水下快速性能为目标的船型设计和性能分析研究。整个设计过程以参考船为设计起点,从减小船体阻力... 详细信息

本文以某80000吨级散货船为优化对象,应用基于融合和区域特征分析的两种新船型几何设计技术,结合船舶CFD阻力和自航评估技术,开展以设计吃水下快速性能为目标的船型设计和性能分析研究。整个设计过程以参考船为设计起点,从减小船体阻力、改善兴波和艉部伴流的角度入手,分别开展船型艏部和艉部的型线自动变形设计,对比分析改型方案在同一模型尺度下的CFD数值模拟评估结果,并获得快速性能优秀的船型设计方案。最后,通过静水中的快速性模型试验,对设计工况下的收益效果进行验证,结果表明,相比于设计原型,最终优化船型在航速为14.0 kn时的实船预报收到功率下降了约5.6%。

关键词：船型融合区域特征分析船型设计 CFD数值计算模型试验

Accuracy of FreeStyle Libre flash glucose monitoring in patients with type 2 diabetes who migrated from highlands to plains

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World Journal of Diabetes 2024年第6期15卷 1254-1262页

作者： Zeng-Mei sun Yuan-Ze Du su-Yuan Wang Shu-Yao sun Yan Ye Xue-Ping sun Ming-xia Li Hua He Wun-Chun Long Cheng-Hui Zhang Xuan-Yu Yao Wu-Yi Fan Ling Wang Yun-Hong Wu Department of Endocrinology and Metabolism Hospital of the People's Government of the Tibet Autonomous Region in ChengduChengdu 614000Sichuan ProvinceChina Department of Nursing Hospital of Chengdu Office of the People's Government of Tibet Autonomous RegionChengdu 610041Sichuan ProvinceChina Department of Endocrinology Hospital of Chengdu Office of the People's Government of Tibet Autonomous RegionChengdu 610041Sichuan ProvinceChina

BACKGROUND The FreeStyle Libre flash glucose monitoring(FGM)system entered the Chinese market in 2017 to complement the self-monitoring of blood *** to its increased usage in clinics,the number of studies investigating its accuracy has ***,its accuracy has not been investigated in highland populations in *** To evaluate measurements recorded using the FreeStyle Libre FGM system compared with capillary blood glucose measured using the enzyme electrode method in patients with type 2 diabetes(T2D)who had migrated within 3 mo from highlands to *** Overall,68 patients with T2D,selected from those who had recently migrated from highlands to plains(within 3 mo),were hospitalized at the Department of Endocrinology from August to October 2017 and underwent continuous glucose monitoring(CGM)with the FreeStyle Libre FGM system for 14 *** the study period,fingertip capillary blood glucose was measured daily using the enzyme electrode method(super GL,China),and blood glucose levels were read from the scanning probe during fasting and 2 h after all three ***,the time interval between reading the data from the scanning probe and collecting fingertip capillary blood was controlled to<5 *** accuracy of the FGM system was evaluated according to the CGM ***,the factors influencing the mean absolute relative difference(MARD)of this system were analyzed by a multiple linear regression *** Pearson’s correlation analysis showed that the fingertip and scanned glucose levels were positively correlated(R=0.86,P=0.00).The aggregated MARD of scanned glucose was 14.28±13.40%.Parker's error analysis showed that 99.30%of the data pairs were located in areas A and *** to the probe wear time of the FreeStyle Libre FGM system,MARD_(1 d) and MARD_(2-14 d) were 16.55%and 14.35%,respectively(t=1.23,P=0.22).Multiple stepwise regression analysis showed that MARD did not correlate with blood glucose when

关键词： Type 2 diabetes Flash glucose monitoring Accuracy Continuous glucose monitor High altitude

基于物理不可克隆函数的轻量级可证明安全车联网认证协议

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电子与信息学报 2024年第9期46卷 3788-3796页

作者：夏卓群苏潮徐梓桑龙科军长沙理工大学计算机与通信工程学院长沙4100150 智能道路与车路协同湖南省重点实验室长沙410015

车联网(IoVs)广泛用于获取车辆和道路状况等信息,但是这些信息都是在公共信道中进行传输,所以最重要和关键的要求之一就是在严格延迟要求下的数据安全。其中,认证是解决数据安全最常用的方法,但是由于车联网的资源受限和对延迟敏感等特... 详细信息

车联网(IoVs)广泛用于获取车辆和道路状况等信息,但是这些信息都是在公共信道中进行传输,所以最重要和关键的要求之一就是在严格延迟要求下的数据安全。其中,认证是解决数据安全最常用的方法,但是由于车联网的资源受限和对延迟敏感等特点,车辆认证需要在一定的消耗和延迟内完成。然而,现有方案容易遭受物理、伪造和共谋等攻击,同时也产生了昂贵的通信和计算成本。该文提出一种基于物理不可克隆函数(PUF)的车路云协同轻量级安全认证方案。所提议方案采用轻量级的物理不可克隆函数作为车联网实体的信任保证,抵御攻击者对实体的物理和共谋等攻击;采用车路云协同的架构,在经过可信机构(TA)认证的路边单元(Rsu)上完成认证运算,大大减轻了TA的计算压力,并将挑战响应对(CRPs)的更新应用到假名的构造更新中,保护身份和轨迹隐私的同时也能在身份追踪阶段披露恶意车辆身份。在实际场景的模拟实验中,通过与其它方案进行比较,表明该方案更加安全和高效。

关键词：车联网认证协议隐私保护物理不可克隆函数车路云协同

基于一维多尺度神经网络和库普曼池化的滚动轴承故障诊断方法

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科学技术与工程 2024年第24期24卷 10297-10304页

作者：孙祯周素霞北京建筑大学机电与车辆工程学院北京100044 北京建筑大学城市轨道交通车辆服役性能保障北京市重点实验室北京100044

滚动轴承作为机械运转的核心部件,其发生故障会导致旋转机械运行状态的恶化。卷积网络作为滚动轴承故障诊断的一种方法,针对其固定窗口局限性,结合一维卷积神经网络(1D convolutional neural network, 1D-CNN)在处理一维数据的优势,利... 详细信息

滚动轴承作为机械运转的核心部件,其发生故障会导致旋转机械运行状态的恶化。卷积网络作为滚动轴承故障诊断的一种方法,针对其固定窗口局限性,结合一维卷积神经网络(1D convolutional neural network, 1D-CNN)在处理一维数据的优势,利用多尺度思想在同一层同时使用不同大小的窗口提取信号特征,根据时间维度信息对异常检测方法的影响,将1D-CNN的池化层与Koopman模型结合,得到高阶动态特征;最后将所得到的故障特征输入全连接层中进行故障诊断。为验证模型优势,对所提出的初始模型和两种改进模型在相同工况下进行对比,同时与支持向量机(support vector machine, SVM)和BP神经网络(back propagation neural network, BPNN)等算法进行对比分析。结果表明:所提模型的识别效果较好,滚动轴承故障准确率可以达到99.99%。

关键词：滚动轴承故障诊断一维多尺度卷积网络(1D-CNN) Koopman池化

Network pharmacology and molecular docking analysis reveal insights into the molecular mechanism of Gualou Qumai Wan in clear cell renal cell carcinoma

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TMR Modern Herbal Medicine 2024年第2期7卷 11-18页

作者： Zhi-Qiang Wang Zhen-Yu Mu Bo Yang Tao Wang Zhi-Yong su Shan-Chun Guo Jiang-xia Yin Department of Urology Shouguang Hospital of Traditional Chinese MedicineShouguang 262700China Medical Insurance Office Shouguang Hospital of Traditional Chinese MedicineShouguang 262700China Intensive Care Unit Shouguang Hospital of Traditional Chinese MedicineShouguang 262700China Department of Anal surgery Shouguang Hospital of Traditional Chinese MedicineShouguang 262700China Department of Neurosurgery Shouguang Hospital of Traditional Chinese MedicineShouguang 262700China RCMI Cancer Research Center Xavier University of LouisianaLA 1870125USA Department of Medical Oncology Shouguang Hospital of Traditional Chinese MedicineShouguang 262700China

Background:To initially clarify the potential therapeutic targets and pharmacological mechanism regarding Gualou Qumai Wan(GQW),a kind of traditional Chinese medicine(TCM),in clear cell renal cell carcinoma(ccRCC)by virtue of the network pharmacology analysis and molecular docking ***:The screening of bioactive components and targets of GQW was based on the Traditional Chinese Medicine System Pharmacology(TCMSP)and the UniProt platform served for standardizing their *** Mendelian Inheritance in Man(OMIM),PharmGkb,TTD,DrugBank and GeneCards databases were searched to collect the disease targets of *** assisted in constructing herb-compound-target(H-C-T)*** STRING database was searched for constructing the target protein-protein interaction(PPI)networks,while the R programming language served for analyzing GO functional terms and the KEGG pathways related to potential *** of core genes related to survival and tumor microenvironment(TME)were conducted respectively based on the GEPIA2 database and TIMER 2.0 *** Protein Atlas(HPA)and The Cancer Genome Atlas(TCGA)helped to obtain core genes’protein expression as well as transcriptome expression *** Vina software validated the molecular docking regarding GQW components and pivotal ***:The constructed H-C-T networks mainly had 33 compounds and 65 targets.A topological analysis of the PPI network identified that ESR1,AKT1,HIF1A,PTGS2,TP53 and VEGFA serve as core targets in the way GQW affects *** to the GO and KEGG pathway enrichment analyses,the effects of GQW are mediated by genes related to hypoxia and oxidative stress as well as the Chemical carcinogenesis-receptor activation and PI3K-Akt signaling ***1 shows a close relation to the recruitment of various immune cells and can remarkably affect disease prognosis according to *** docking and molecular dynamics simulations showed that diosgenin has

关键词： Gualou Qumai Wan AKT1 PI3K-Akt signaling pathway network pharmacology diosgenin clear cell renal cell carcinoma

Roadmap for rechargeable batteries:present and beyond

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Science China Chemistry 2024年第1期67卷 13-42页

作者： Sen Xin Xu Zhang Lin Wang Haijun Yu Xin Chang Yu-Ming Zhao Qinghai Meng Pan Xu Chen-zi Zhao Jiahang Chen Huichao Lu Xirui Kong Jiulin Wang Kai Chen Gang Huang Xinbo Zhang Yu su Yao xiao Shu-Lei Chou Shilin Zhang Zaiping Guo Aobing Du Guanglei Cui Gaojing Yang Qing Zhao Liubing Dong Dong Zhou Feiyu Kang Hu Hong Chunyi Zhi Zhizhang Yuan xianfeng Li Yifei Mo Yizhou Zhu Dongfang Yu Xincheng Lei Jianxiong Zhao Jiayi Wang Dong su Yu-Guo Guo Qiang Zhang Jun Chen Li-Jun Wan CAS Key Laboratory of Molecular Nanostructure and Nanotechnology CAS Research/Education Center for Excellence in Molecular SciencesBeijing National Laboratory for Molecular Sciences(BNLMS)Institute of ChemistryChinese Academy of Sciences(CAS)Beijing 100190China University of Chinese Academy of Sciences.Beijing 100049 China Institute of Advanced Battery Materials and Devices Faculty of Materials and ManufacturingBeijing University of TechnologyBeijing 100124China Key Laboratory of Advanced Functional Materials Ministry of EducationBeijing University of TechnologyBeijing 100124China Beijing Key Laboratory of Green Chemical Reaction Engineering and Technology Department of Chemical EngineeringTsinghua UniversityBeijing 100084China State Key Laboratory of Chemistry and Utilization of Carbon-Based Energy Resources College of ChemistryXinjiang UniversityUrumqi 830046China Department of Chemical Engineering Shanghai Jiao Tong UniversityShanghai 200240China State Key Laboratory of Rare Earth Resource Utilization Changchun Institute of Applied ChemistryChangchun 130022China Institute for Carbon Neutralization College of Chemistry and Materials EngineeringWenzhou UniversityWenzhou 325035China School of Chemical Engineering and Advanced Materials The University of AdelaideAdelaide 5000Australia Qingdao Industrial Energy Storage Research Institute Qingdao Institute of Bioenergy and Bioprocess TechnologyChinese Academy of SciencesQingdao 266101China Frontiers Science Center for New Organic Matter Key Laboratory of Advanced Energy Materials Chemistry(Ministry of Education)College of ChemistryNankai UniversityTianjin 300071China College of Chemistry and Materials Science Jinan UniversityGuangzhou 511443China Tsinghua Shenzhen International Graduate School Tsinghua UniversityShenzhen 518055China Department of Materials Science and Engineering City University of Hong KongHong Kong 999077China Division of Energy Storage Dalian National Laboratory for Clean Energy(DNL)Dalian Institute of Chem

Rechargeable batteries currently hold the largest share of the electrochemical energy storage market,and they play a major role in the sustainable energy transition and industrial decarbonization to respond to global climate *** to the increased popularity of consumer electronics and electric vehicles,lithium-ion batteries have quickly become the most successful rechargeable batteries in the past three decades,yet growing demands in diversified application scenarios call for new types of rechargeable *** efforts are made to developing the next-generation post-Li-ion rechargeable batteries,which include,but are not limited to solid-state batteries,lithium–sulfur batteries,sodium-/potassium-ion batteries,organic batteries,magnesium-/zinc-ion batteries,aqueous batteries and flow *** the great achievements,challenges persist in precise understandings about the electrochemical reaction and charge transfer process,and optimal design of key materials and interfaces in a *** roadmap tends to provide an overview about the current research progress,key challenges and future prospects of various types of rechargeable *** computational methods for materials development,and characterization techniques will also be discussed as they play an important role in battery research.

关键词： energy storage rechargeable batteries battery materials electrochemistry