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Coarse-grained Dynamics Simulation in Polymer Systems:from Structures to Material Properties

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Chemical Research in Chinese Universities 2022年第3期38卷 653-670页

作者： gao huimin SHI Rui ZHU Youliang QIAN Hujun LU Zhongyuan State Key Laboratory of Supramolecular Structure and Materials College of ChemistryJilin UniversityChangchun130012P.R.China

Polymers are widely used in our daily life and industry because of their intrinsic characteristics,such as multi-functionality,low cost,light mass,ease of processability,and excellent chemical *** have multiscale space-time properties,which are mainly reflected in the fact that the properties of polymer systems depend not only on chemical structure and molecular properties,but also to a large extent on the aggregation state of molecules,that is,phase structure and condensed state *** to the continuous development of simulation methods and the rapid improvement of scientific computation,computer simulation has played an increasingly important role in investigating the structure and properties of polymer *** them,coarse-grained dynamics simulations provide a powerful tool for studying the self-assembly structure and dynamic behavior of polymers,such as glass transition and entanglement *** review summarizes the coarse-grained models and methods in the dynamic simulations for polymers and their composite systems based on graphics processing unit(GPU)algorithms,and discusses the characteristics,applications,and advantages of different simulation *** on recent studies in our group,the main progress of coarse-grained simulation methods in studying the structure,properties and physical mechanism of polymer materials is *** is anticipated to provide a reference for further development of coarse-grained simulation methods and software suitable for polymer research.

关键词： Polymer Self-assembly Glass transition Polymer nanocomposites Coarse-grained dynamics simulation

Integrating Sentinel-1 and 2 with LiDAR data to estimate aboveground biomass of subtropical forests in northeast Guangdong, China

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International Journal of Digital Earth 2023年第1期16卷 158-182页

作者： Linjing Zhang Xiaoxue Zhang Zhenfeng Shao Wenhao Jiang huimin gao College of Geodesy and Geomatics Shandong University of Science and TechnologyQingdaoPeople’s Republic of China Key Laboratory of Ocean Geomatics Ministry of Natural ResourcesQingdaoPeople’s Republic of China State key Laboratory of Information Engineering in Surveying Mapping and Remote SensingWuhan UniversityWuhanPeople’s Republic of China

Accurate monitoring of forest aboveground biomass(AGB)is vital for sustainable forest ***,the AGB is estimated by combining satellite images andfield ***,field plots are inaccessible in complex forest *** to the limitations related to either optical or SAR data alone,combining the two data types is ***,we explored the LiDAR-derived biomass as training/testing samples for the combination of yearly time-series of Sentinel-1 and Sentinel-2 images to estimate AGB in north-eastern Conghua,Guangdong province,*** AGB reference map derived from airborne LiDAR data andfield plots could provide more samples for satellite-based AGB estimation with a limited amount of sampling *** designed four groups of experiments based on diverse Sentinel-1 and Sentinel-2 variables,including backscatter,backscatter indices,texture features,spectral bands,vegetation indices,and biophysical *** different prediction methods(support vector regression,multi-layer perceptron neural network,K-nearest neighbour,and random forest(RF))were separately used to estimate *** showed that the RF model achieved the best accuracy for AGB *** Sentinel-1 and Sentinel-2 experiment(R^(2):0.72,RMSEr:17.65%)performed better than the monthly complementary experiment(R^(2):0.66,RMSEr:19.01%).Additionally,the arid period images were observed to be sensitive for estimating *** most contributing Sentinels predictors were determined via a sequential forward ***,the proposed methodology has great potential for low-cost,large-scale,and high-precision AGB estimation.

关键词： Sentinel liDAR aboveground biomass non-parametric models subtropical forest

Overview of the quality standard research of traditional Chinese medicine

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Frontiers of Medicine 2011年第2期5卷 195-202页

作者： huimin gao Zhimin Wang Yujuan Li Zhongzhi Qian Institute of Chinese Materia Medica China Academy of Chinese Medical SciencesBeijing 100700China National Engineering Laboratory for Quality Control Technology of Chinese Herbal Medicines Beijing 100700China Beijing Institute of Technology Beijing100081China Chinese Pharmacopoeia Commission Beijing 100061China

Traditional Chinese medicine(TCM)has been widely used for the prevention and treatment of various diseases for a long time in *** to its proven efficacy,wide applications,and low side effect,TCM has increasingly attracted worldwide ***,one of the biggest challenges facing the clinical practice of TCM is the uncontrollable *** this review,the progress of the development and the current status of quality standard as well as new quality control techniques introduced in Chinese Pharmacopoeia(2010 edition),such as liquid chromatography hyphenated mass spectrometry(LC-MS),fingerprint,quantitative analysis of multi-components by single-marker(QAMS),thin layer chromatography bio-autographic assay(TLC-BAA),and DNA molecular marker technique,are briefly overviewed.

关键词： traditional Chinese medicine quality standard quality control quantitative analysis of multi-components by single-marker

A Survey of Model Predictive Control Methods for Traffic Signal Control

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IEEE/CAA Journal of Automatica Sinica 2019年第3期6卷 623-640页

作者： Bao-Lin Ye Weimin Wu Keyu Ruan Lingxi Li Tehuan Chen huimin gao Yaobin Chen IEEE the School of Mechanical and Electrical Engineering Jiaxing University the State Key Laboratory of Industrial Control Instituteof Cyber-Systems and Control Technology Zhejiang University the Department of Electrical and Computer Engineering Purdue School of Engineering and TechnologyIndiana University-Purdue University Indianapolis Mechanical Engineering and Mechanics Ningbo University

Enhancing traffic efficiency and alleviating(even circumventing) traffic congestion with advanced traffic signal control(TSC) strategies are always the main issues to be addressed in urban transportation systems. Since model predictive control(MPC) has a lot of advantages in modeling complex dynamic systems, it has been widely studied in traffic signal control over the past 20 years. There is a need for an in-depth understanding of MPC-based TSC methods for traffic networks. Therefore, this paper presents the motivation of using MPC for TSC and how MPC-based TSC approaches are implemented to manage and control the dynamics of traffic flows both in urban road networks and freeway networks. Meanwhile, typical performance evaluation metrics, solution methods, examples of simulations,and applications related to MPC-based TSC approaches are reported. More importantly, this paper summarizes the recent developments and the research trends in coordination and control of traffic networks with MPC-based TSC approaches. Remaining challenges and open issues are discussed towards the end of this paper to discover potential future research directions.

关键词： Autonomous vehicles coordination control mixed integer programming model predictive control system decomposition traffic flow models traffic signal control

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Quaternized chitosan/Pluronic F127 thermosensitive hydrogel with high antibacterial properties for wound dressing

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Progress in Natural Science:Materials International 2023年第5期33卷 581-592页

作者： Kaiting Cheng Yiming Fang Liang Bai Feng Gui Junchi Ma huimin gao Yadong Zhao Xingtao Xu Marine Science and Technology College Zhejiang Ocean University Anhui Snow Dragon Fibre Technology CO. LTD. School of Food and Pharmacy Zhejiang Ocean University

In everyday life, traditional dressings such as band-aid and gauze are used for dealing with small ***, these dressings have shortcomings such as pain caused by tearing, inapplicability to joints, single functionality, and adverse reactions. Therefore, there is a great need for an inexpensive, comfortable, and multifunctional wound dressing. In this study, quaternized chitosan(QCS) with a high degree of substitution(107.84%) was successfully prepared and characterized using ultraviolet–visible(UV–vis) spectroscopy, Fourier transform infrared(FT-IR) spectroscopy, X-ray diffraction(XRD), and proton nuclear magnetic resonance(1H NMR). A series of QCS/F127 thermosensitive hydrogels were prepared by physical cross-linking and used as potential wound dressings. Then the temperature sensitivity, hemostatic ability, antibacterial activity, and sustained drug release effect of the hydrogels were investigated to evaluate their multifunctionality as wound dressings. Finally, the effect of QCS concentration on hydrogel properties was explored. The results show that the composite hydrogels have significant hemostatic, antibacterial, and sustained drug release abilities, and they can be rapidly transformed into a gel state and adhere to skin upon reaching body temperature. In addition, the properties of the hydrogels can be adjusted by varying the concentration of QCS, which allows for the preparation of wound dressings that are responsive to needs. Therefore, multifunctional QCS/F127 hydrogels with temperatureresponse characteristics are of great clinical research value as wound dressings.

关键词： Thermosensitive hydrogel Wound dressing Antibacterial activity Hemostasis Drug delivery

Ambient temperature correlates with geographic variation in body size of least horseshoe bats

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Current Zoology 2020年第5期66卷 459-465页

作者： Man WANG Kelly Chen Dongge Guo Bo Luo Weiwei Wang huimin gao Ying Liu Jiang FENG Jilin Provincial Key Laboratory of Animal Resource Conservation and Utilization Northeast Normal University2555 Jingyue StreetChangchun 130117China Key Laboratory of Southwest China Wildlife Resources Conservation of Ministry of Education China West Normal University1#Shida RoadNanchong 637009China College of Veterinary Medicine University of Illinois at Champaign-Urbana2001 S.Lincoln AvenueUrbanaILUSA College of Life Science Jilin Agricultural University2888 Xincheng streetChangchun 130118China

Geographic variation in body size is common within many animal *** causes of this pattern,however,remain largely unexplored in most vertebrate *** are widely distributed globally owing to their ability of powered *** bat species encounter a variety of climatic conditions across their distribution range,making them an ideal taxon for the study of ecogeographic patterns in body ***,we used adult least horseshoe bats,Rhinolophus pusillus,to test whether geographic variation in body size was determined by heat conservation,heat dissipation,climatic seasonality,or primary *** measured body mass and head-body length for 246 adult bats from 12 allopatric colonies in *** quantified the ecological conditions inhabited by each colony,including mean maximum temperature of the warmest month,mean minimum temperature of the coldest month,temperature seasonality,precipitation seasonality,and annual net primary productivity(ANPP).Body mass and head-body length,2 of the most reliable indicators of body size,exhibited marked differences between *** controlling for spatial autocorrelation,the mean minimum temperature of the coldest month explained most of the variation in body size among colonies,regardless of *** mean maximum temperature,climatic seasonality,and ANPP had limited power in predicting body size of males or females in comparison with mean minimum *** results support the heat conservation hypothesis and suggest adaptive responses of body size to cold climates in cave-dwelling bats.

关键词： bat Bergmann's rule body size climatic adaptation heat conservation

CRISPR/dCas-mediated gene activation toolkit development and its application for parthenogenesis induction in maize

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Plant Communications 2023年第2期4卷 56-64页

作者： Xiantao Qi huimin gao Renyao Lv Wenbo Mao Jinjie Zhu Changling Liu Long Mao Xinhai Li Chuanxiao Xie Institute of Crop Science Chinese Academy of Agricultural SciencesNational Key Facility for Crop Gene Resources and Genetic ImprovementBeijing 100081 China Hainan Yazhou Bay Seed Lab Hainan Province 572024 China

Clustered regularly interspaced short palindromic repeats(CRISPR)-Cas systems can be engineered as programmable transcription factors to either activate(CRISPRa)or inhibit *** is extremely valuable for the seed industry in breeding clonal seeds with pure genetic *** report here a CRISPR/dCas9-based toolkit equippedwith dCas9-VP64 andMS2-p65-HSF1 effectors that may specifically target genes with high activation *** explored the application of in vivo CRISPRa targeting of maize BABY BOOM2(ZmBBM2),acting as a fertilization checkpoint,as a means to engineer *** detected ZmBBM2 transcripts only in egg cells but not in other maternal gametic *** of ZmBBM2 in egg cells in vivo caused maternal cell-autonomous parthenogenesis to produce haploid *** work provides a highly specific gene-activation CRISPRa technology for target cells and verifies its application for parthenogenesis induction in maize.

关键词： CRISPRa ZmBBM2 egg cell apomixis engineering maternal haploid

A mini review of the recent progress in coarse-grained simulation of polymer systems

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Chinese Journal of Structural Chemistry 2024年第5期43卷 38-57页

作者： huimin gao Zhuochen Yu Xuze Zhang Xiangkun Yu Jiyuan Xing Youliang Zhu Hu-Jun Qian Zhong-Yuan Lu State Key Laboratory of Supramolecular Structure and Materials College of ChemistryJilin UniversityChangchun130023China

Molecular dynamics simulation is a powerful tool in the study of polymeric *** various simulation methods,coarse-grained(CG)model is particularly impactful because it effectively reduces the computational complexity and enables the simulation of large-scale polymer *** this review,we briefly summarize recent progresses in our group on the development of CG simulation methods,models,as well as in the software *** compiling the CG models and various simulation methods,we have successfully developed a GPU-accelerated large-scale molecular simulation toolkit(GALAMOST),which provides an efficient platform for polymer *** further developed the new-generation PyGAMD(Python GPU-Accelerated MD Software,website:)software based on the Python platform,which makes the polymer simulation more powerful,flexible and *** addition,some recent application cases in different polymer systems are also *** aspiration of this review is to assist researchers in understanding the role of molecular simulations in the design and development of advanced polymer materials not only for academic researches,but also for possible industrial applications.

关键词： Polymer Molecular simulation Software Multiscale method Coarse-grained dynamics simulation

基于改进的PCA-RBFNN过程变量软测量建模及应用

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计算机集成制造系统 2022年第5期28卷 1306-1313页

作者：朱荷蕾高慧敏嘉兴学院信息科学与工程学院浙江嘉兴314001

针对过程控制系统中关键变量的软测量建模及应用问题,结合主成分分析法(PCA)和径向基(RBF)神经网络法(RBFNN),提出了改进的PCA-RBFNN软测量建模方法。首先利用PCA分析变量筛选法从过程变量集合中找到对系统过程特性具备最佳解释能力的... 详细信息

针对过程控制系统中关键变量的软测量建模及应用问题,结合主成分分析法(PCA)和径向基(RBF)神经网络法(RBFNN),提出了改进的PCA-RBFNN软测量建模方法。首先利用PCA分析变量筛选法从过程变量集合中找到对系统过程特性具备最佳解释能力的过程变量子集;然后将该过程变量子集作为输入、被估计变量作为输出构建PCA-RBFNN模型,并使用K-means聚类和最小均方误差法初始化RBF神经网络的数据中心、扩展系数和连接权值;最后采用梯度下降法训练、校正所建模型。以某纺织原料生产过程为实例,对所建模型进行了验证和输出性能对比分析。结果表明,该模型可以实现过程变量在线预测,比原模型具有更好的泛化能力、预测能力和输出精度,能够提高过程控制系统的稳定性和可靠性。

关键词：过程控制主主成分分析径向基神经网络软测量在线预测

维普期刊数据库