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Shape dependent protein-induced stabilization of gold nanoparticles:From a protein corona perspective Special Collection:Distinguished Australian Researchers

聚集体(英文)

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聚集体(英文) 2023年第4期4卷 177-184页

作者： Anastasiia Tukova Yihan Nie Mohammad Tavakkoli Yaraki Ngoc Thanh Tran jiaqiu wang Alison Rodger Yuantong Gu Yuling wang School of Natural Sciences Faculty of Science and EngineeringMacquarie UniversitySydneyNew South WalesAustralia School of Mechanical Medical and Process EngineeringQueensland University of Technology(QUT)BrisbaneQueenslandAustralia Centre for Biomedical Technologies Queensland University of Technology(QUT)BrisbaneQueenslandAustralia Centre for Materials Science Queensland University of Technology(QUT)BrisbaneQueenslandAustralia

Gold nanoparticles(AuNPs)are promising materials for many ***,upon contacting with biological media,AuNPs undergo *** interaction with proteins results in the so-called protein corona(PC)around AuNPs,leading to the new bioidentity and optical *** the mechanisms of PC formation and its functions can help us to utilise its benefits and avoid its *** date,most of the previous works aimed to understand the mechanisms governing PC formation and focused on the spherical nanoparticles,although non-spherical nanoparticles are designed for a wide range of applications in *** this work,we investigated the differences in PC formation on spherical and anisotropic AuNPs(nanostars in particular)from the joint experimental(extinction spectroscopy,zeta potential and surface-enhanced Raman scattering[SERS])and computational methods(the finite element method and molecular dynamics[MD]simulations).We discovered that protein does not fully cover the surface of anisotropic nanoparticles,leaving SERS hot-spots at the tips and high curvature edges‘available’for analyte binding(no SERS signal after pre-incubation with protein)while providing protein-induced stabilization(indicated by extinction spectroscopy)of the AuNPs by providing a protein layer around the particle’s *** findings are confirmed from our MD simulations,the adsorption energy significantly decreases with the increased radius of curvature,so that tips(adsorption energy:2762.334 kJ/mol)would be the least preferential binding site compared to core(adsorption energy:11819.263 kJ/mol).These observations will help the development of new nanostructures with improved sensing and targeting ability.

关键词： anisotropic gold nanoparticles molecular dynamics simulation protein corona SERS stability

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A general method of spatio-temporal clustering analysis

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Science China(Information Sciences) 2013年第10期56卷 158-171页

作者： DENG Min LIU QiLiang wang jiaqiu SHI Yan Department of Surveying and Geo-informatics Central South University

Spatio-temporal clustering has been a hot topic in the feld of spatio-temporal data mining and knowledge *** can be employed to uncover and interpret developmental trends of geographic phenomenon in the real ***,existing spatio-temporal clustering methods seldom consider both spatiotemporal autocorrelations and heterogeneities among spatio-temporal entities,and the coupling in space and time has not been well *** this paper,a unifed framework for the clustering analysis of spatio-temporal data is proposed,and a novel spatio-temporal clustering algorithm is developed by means of a spatio-temporal statistics methodology and intelligence computation *** method is applied successfully to fnding spatio-temporal cluster in China’s annual temperature database for the period 1951 1992.

关键词： spatio-temporal clustering spatio-temporal autocorrelation spatio-temporal heterogeneity spatio-temporal data mining

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Automatic Calcified Plaques Detection in the OCT Pullbacks Using Convolutional Neural Networks

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医用生物力学 2019年第A1期34卷 109-110页

作者： Chunliu He Yifan Yin jiaqiu wang Biao Xu Zhiyong Li The School of Biological Science and Medical Engineering Southeast UniversityNanjing210096China The Schoolof Chemistry Physics and Mechanical EngineeringQueensland University of TechnologyBrisbaneQLD4000Australia Department of Cardiology Affiliated Drum Tower HospitalSchool of MedicineNanjing UniversityNanjing21000China

Background Coronary artery calcification is a well-known marker of atherosclerotic plaque ***-resolution intravascular optical coherence tomography(OCT)imaging has shown the potential to characterize the details of coronary calcification in *** routine clinical practice,it is a time-consuming and laborious task for clinicians to review the over 250 images in a single ***,the imbalance label distribution within the entire pullbacks is another problem,which could lead to the failure of the classifier *** the success of deep learning methods with other imaging modalities,a thorough understanding of calcified plaque detection using Convolutional Neural Networks(CNNs)within pullbacks for future clinical decision was *** All 33 IVOCT clinical pullbacks of 33 patients were taken from Affiliated Drum Tower Hospital,Nanjing University between December 2017 and December *** ground-truth annotation,three trained experts determined the type of plaque that was present in a *** experts assigned the labels'no calcified plaque','calcified plaque'for each OCT *** experts were provided the all images for *** final label was determined based on consensus between the experts,different opinions on the plaque type were resolved by asking the experts for a repetition of their *** the implement of algorithm,all OCT images was resized to a resolution of 300×300,which matched the range used with standard architectures in the natural image *** the study,we randomly selected 26 pullbacks for training,the remaining data were ***,imbalance label distribution within entire pullbacks was great challenge for various CNNs *** order to resolve the problem,we designed the following ***,we fine-tuned twenty different CNNs architecture,including customize CNN architectures and pretrained CNN *** the nature of OCT images,customize CNN architectures were des

关键词： Calcified plaque intravascular optical coherence tomography deep learning imbalance label distribution convolutional neural networks

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压电陶瓷驱动器疲劳特性对变形镜校正能力的影响

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中国激光 2018年第9期45卷 283-288页

作者：罗帅王家秋张彬四川大学电子信息学院四川成都610064

基于变形镜(DM)的影响函数,采用有限元方法对波前校正过程进行了数值模拟,分析了压电陶瓷(PZT)驱动器的疲劳特性对变形镜校正能力的影响。研究结果表明,在压电陶瓷驱动器产生疲劳后,变形镜校正能力下降。待校正畸变波前的峰谷值越大或... 详细信息

基于变形镜(DM)的影响函数,采用有限元方法对波前校正过程进行了数值模拟,分析了压电陶瓷(PZT)驱动器的疲劳特性对变形镜校正能力的影响。研究结果表明,在压电陶瓷驱动器产生疲劳后,变形镜校正能力下降。待校正畸变波前的峰谷值越大或空间高频成分比例越高,变形镜在驱动器疲劳后的校正能力下降得越明显,且受前者影响更大。

关键词：光学器件疲劳特性有限元分析压电陶瓷光束质量校正能力

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基于融合上下文的移动用户行为过程挖掘与预测

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计算机集成制造系统 2016年第2期22卷 302-311页

作者：王佳秋于浩王忠杰哈尔滨工业大学计算机科学与技术学院黑龙江哈尔滨150001

针对移动环境中单个用户个性化行为过程的挖掘和预测问题,考虑不同类型上下文对行为过程的影响,研究将行为过程中不同类型的上下文融合成统一的整体(情景),提出上下文融合过程模型。进而将上下文融合过程模型融入移动用户的行为过程中,... 详细信息

针对移动环境中单个用户个性化行为过程的挖掘和预测问题,考虑不同类型上下文对行为过程的影响,研究将行为过程中不同类型的上下文融合成统一的整体(情景),提出上下文融合过程模型。进而将上下文融合过程模型融入移动用户的行为过程中,提出一种基于融合上下文的行为过程模型。在此基础上提出一种挖掘算法ASCF-Mine,利用行为过程中存在的情景周期和时间属性来挖掘频繁的行为过程。结合频繁的行为过程,提出一种基于协同过滤的预测方法来自主构建满足用户个性化需求的行为过程。通过具体的实验分析,验证了所提方法的有效性。

关键词：上下文上下文融合过程模型行为过程挖掘行为过程预测

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基于PCA-SOM的深圳产业空间结构

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地理研究 2014年第9期33卷 1736-1746页

作者：章文王佳璆中山大学地理科学与规划学院广州510275 广东省城市化与地理环境空间模拟重点实验室广州510275 伦敦大学学院高级空间分析中心

利用深圳市企业空间分布数据,以街道为基本空间单元,运用主成分分析提取因子达到产业变量降维和抽象目的,在此基础上构建SOM神经网络进行聚类分析,通过PCA-SOM耦合模型实现了对城市内部产业空间分类和结构描述。研究表明:街道的产业功... 详细信息

利用深圳市企业空间分布数据,以街道为基本空间单元,运用主成分分析提取因子达到产业变量降维和抽象目的,在此基础上构建SOM神经网络进行聚类分析,通过PCA-SOM耦合模型实现了对城市内部产业空间分类和结构描述。研究表明:街道的产业功能可以通过提取各产业企业分布数据的主成分因子来表征;PCA-SOM耦合模型将深圳产业空间划分为六种类型区,分类结果与实际吻合;深圳城市产业结构存在空间分异,有别于传统城市的同心环形模式,深圳城市中心区位于地理空间的底部,以集聚型现代服务业为中心、整体呈扇型辐射,并具有明显的路径依赖特征;深圳东部分区产业功能现状仍不明朗,需要对该区域做进一步的空间结构规划和政策支持,以形成多中心的产业辐射模式。

关键词：城市结构产业功能主成分分析 SOM聚类深圳

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Oscillation-specific nodal alterations in early to middle stages Parkinson’s disease

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Translational Neurodegeneration 2019年第1期8卷 450-465页

作者： Xiaojun Guan Tao Guo Qiaoling Zeng jiaqiu wang Cheng Zhou Chunlei Liu Hongjiang Wei Yuyao Zhang Min Xuan Quanquan Gu Xiaojun Xu Peiyu Huang Jiali Pu Baorong Zhang Min-Ming Zhang Department of Radiology The Second Affiliated HospitalZhejiang University School of MedicineNo.88 Jiefang RoadShangcheng DistrictHangzhou 310009China Department of Neurology The Second Affiliated Hospital of Zhejiang University School of MedicineHangzhouChina Helen Wills Neuroscience Institute University of CaliforniaBerkeleyCAUSA Department of Electrical Engineering and Computer Sciences University of CaliforniaBerkeleyCAUSA

Background:Different oscillations of brain networks could carry different dimensions of brain *** aimed to investigate oscillation-specific nodal alterations in patients with Parkinson’s disease(PD)across early stage to middle stage by using graph theory-based ***:Eighty-eight PD patients including 39 PD patients in the early stage(EPD)and 49 patients in the middle stage(MPD)and 36 controls were recruited in the present *** theory-based network analyses from three oscillation frequencies(slow-5:0.01–0.027 Hz;slow-4:0.027–0.073 Hz;slow-3:0.073–0.198 Hz)were *** metrics(*** degree centrality,betweenness centrality and nodal efficiency)were ***:Our results showed that(1)a divergent effect of oscillation frequencies on nodal metrics,especially on nodal degree centrality and nodal efficiency,that the anteroventral neocortex and subcortex had high nodal metrics within low oscillation frequencies while the posterolateral neocortex had high values within the relative high oscillation frequency was observed,which visually showed that network was perturbed in PD;(2)PD patients in early stage relatively preserved nodal properties while MPD patients showed widespread abnormalities,which was consistently detected within all three oscillation frequencies;(3)the involvement of basal ganglia could be specifically observed within slow-5 oscillation frequency in MPD patients;(4)logistic regression and receiver operating characteristic curve analyses demonstrated that some of those oscillation-specific nodal alterations had the ability to well discriminate PD patients from controls or MPD from EPD patients at the individual level;(5)occipital disruption within high frequency(slow-3)made a significant influence on motor impairment which was dominated by akinesia and ***:Coupling various oscillations could provide potentially useful information for large-scale network and progressive oscillation-specific no

关键词： Parkinson’s disease Network Functional magnetic resonance imaging Oscillation frequency Graph theory analysis Akinesia and rigidity

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The reformation of catalyst:From a trial-and-error synthesis to rational design

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Nano Research 2024年第4期17卷 3261-3301页

作者： Ligang wang Jiabin Wu Shunwu wang Huan Liu Yao wang Dingsheng wang Department of Chemistry Tsinghua UniversityBeijing 100084China

The appropriate catalysts can accelerate the reaction rate and effectively boost the efficient conversion of various molecules,which is of great importance in the study of chemistry,chemical industry,energy,materials and environmental ***,efficient,environmentally friendly,and easy to operate synthesis methods have been used to prepare various types of *** previous studies have reported the synthesis and characterization of the aforementioned catalysts,more still remain in trial and error methods,without in-depth consideration and improvement of traditional synthesis ***,we comprehensively summarize and compare the preparation methods of the trial-and-error synthesis strategy,structure–activity relationships and density functional theory(DFT)guided catalysts rational design for nanomaterials and atomically dispersed *** also discuss in detail the utilization of the nanomaterials and single atom catalysts for converting small molecules(H_(2)O,O_(2),CO_(2),N_(2),etc.)into value-added products driven by electrocatalysis,photocatalysis,and ***,the challenges and outlooks of mass preparation and production of efficient and green catalysts through conventional trial and error synthesis and DFT theory are featured in accordance with its current development.

关键词： trial-and-error synthesis structure–activity relationships density functional theory(DFT)guidance nanomaterials atomically dispersed catalysts

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Numerical Analysis of PRISM-PY Calculations for Hard-and Soft-Core Generic Polymer Models

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Chinese Journal of Polymer Science 2024年第4期42卷 532-543页

作者： Qiang wang Department of Chemical and Biological Engineering Colorado State University1370 Campus DeliveryFort CollinsCO80523-1370USA

Generic polymer models capturing the chain connectivity and excluded-volume interactions between polymer segments can be classified, according to whether or not the 3D integral of the latter diverges, into hard- and soft-core models. Taking homogeneous systems of compressible homopolymer melts (or equivalently homopolymer solutions in an implicit, good solvent) in the continuum as an example, we recently compared the correlation effects on the structural and thermodynamic properties of the hard- and soft-core models given by the polymer reference interaction site model (PRISM) theory with the Percus-Yevick (PY) closure (Polymers 2023, 15, 1180). Here we analyzed in detail the numerical errors and behavior of the interchain pair correlation functions (PCFs) given by the PRISM-PY calculations of these models using an efficient numerical approach that we proposed. Our numerical approach has the least number of independent variables to be iteratively solved, analytically treats the discontinuities caused by the non-bonded pair potential (such as that of the hard spheres) and takes only the inverse Fourier transform of the interchain indirect PCF between polymer segments (which is continuous and decays towards 0 with increasing wavenumber much faster than both the interchain direct and total PCFs), and is essential for us to accurately solve the PRISM-PY theory for chain length N as large as 106. To capture the correlation-hole effect, the real-space cut-off in the PRISM calculations should be proportional to the square root of N.

关键词： Generic polymer models Soft potentials Polymer reference interaction site model theory

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Linear-Quadratic Pareto Cooperative Game for Mean-Field Backward Stochastic System

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Journal of Systems Science & Complexity 2024年第3期37卷 947-964页

作者： wang Yu School of Control Science and Engineering Shandong UniversityJinan 250061China

This paper focuses on a Pareto cooperative differential game with a linear mean-field backward stochastic system and a quadratic form cost functional. Based on a weighted sum optimality method, the Pareto game is equivalently converted to an optimal control problem. In the first place,the feedback form of Pareto optimal strategy is derived by virtue of decoupling technology, which is represented by four Riccati equations, a mean-field forward stochastic differential equation(MF-FSDE),and a mean-field backward stochastic differential equation(MF-BSDE). In addition, the corresponding Pareto optimal solution is further obtained. Finally, the author solves a problem in mathematical finance to illustrate the application of the theoretical results.

关键词： Backward stochastic differential equation linear-quadratic control mean-field Pareto optimality

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