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当前锂离子动力电池电化学模型存在模型复杂、建模难度大、计算效率低、老化评估效果差的问题,本文提出一种考虑电池衰退老化的机理模型(ADME).本文首先通过有限差分法对伪二维(P2D)电化学模型进行离散降阶处理,得到简化伪二维(SP2D)模型.在SP2D模型的基础上,基于阴阳两极发生的副反应导致的衰退老化现象,提出一种考虑电池衰退老化的机理模型.其次,使用多变量偏差补偿最小二乘法实现模型参数辨识.最后通过动力电池衰退老化性能循环实验,对比分析了恒流、脉冲工况下SP2D模型和ADME模型的终端电压输出.结果表明:ADME模型较为简单、计算效率和估算精度高,可以有效评估电池容量老化衰退,得到理想的锂离子动力电池外特性曲线. 相似文献
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BackgroundIdentification of potential drug-target interaction pairs is very important for pharmaceutical innovation and drug discovery. Numerous machine learning-based and network-based algorithms have been developed for predicting drug-target interactions. However, large-scale pharmacological, genomic and chemical datum emerged recently provide new opportunity for further heightening the accuracy of drug-target interactions prediction.ResultsIn this work, based on the assumption that similar drugs tend to interact with similar proteins and vice versa, we developed a novel computational method (namely MKLC-BiRW) to predict new drug-target interactions. MKLC-BiRW integrates diverse drug-related and target-related heterogeneous information source by using the multiple kernel learning and clustering methods to generate the drug and target similarity matrices, in which the low similarity elements are set to zero to build the drug and target similarity correction networks. By incorporating these drug and target similarity correction networks with known drug-target interaction bipartite graph, MKLC-BiRW constructs the heterogeneous network on which Bi-random walk algorithm is adopted to infer the potential drug-target interactions.ConclusionsCompared with other existing state-of-the-art methods, MKLC-BiRW achieves the best performance in terms of AUC and AUPR. MKLC-BiRW can effectively predict the potential drug-target interactions. 相似文献
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《Annales de l'Institut Henri Poincaré (C) Analyse Non Linéaire》2020,37(5):1185-1209
We establish the existence of solutions of the Cauchy problem for a higher-order semilinear parabolic equation by introducing a new majorizing kernel. We also study necessary conditions on the initial data for the existence of local-in-time solutions and identify the strongest singularity of the initial data for the solvability of the Cauchy problem. 相似文献
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Wenping Huang Zhiqi Wen Qi Wang Renhao Chen Zhifeng Li Yulin Feng Shilin Yang 《Biomedical chromatography : BMC》2020,34(7):e4828
Kalimeris indica (L) Sch-Bip is a medicinal plant used by the Miao ethnic group in the Guizhou province of China. It is widely used as a fresh vegetable to treat colds, diarrhea and gastric ulcers. However, few studies have been conducted on the mechanism of its effect on colds, and its quality control. The anticomplement and antitussive activities of different polar extracts of K. indica were evaluated. Fifty-nine compounds, mainly including phenols and flavonoids, were identified in K. indica extract by ultra-high-performance liquid chromatography quadrupole time-of-flight tandem mass spectrometry. A method was established through ultra-high-performance liquid chromatography with a photodiode array to simultaneously determine the anticomplement and antitussive activity of five compounds in K. indica combining chemical identification with chemometrics for discrimination and quality assessment. Also, 3,5-dicaffeoylquinic acid and 4,5-dicaffeoylquinic acid exhibited significantly higher anticomplementary activity than the other three compounds. The quantitative data were further analyzed by principal component analysis and orthogonal partial least-squares discriminant analysis. Heatmap visualization was conducted to clarify the distribution of the major compounds in different geographical origins. Screening pharmacological activities by a combination of chemometrics and chemical identification might be an effective method for the quality control of K. indica. 相似文献
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Studies on metabolism of total glucosides of paeony from Paeoniae Radix Alba in rats by UPLC‐Q‐TOF‐MS/MS 下载免费PDF全文
Wenli Cao Xinguo Wang Haojie Li Xuliang Shi Wencheng Fan Shaohua Zhao Minyan Liu Liying Niu 《Biomedical chromatography : BMC》2015,29(11):1769-1779
Total glucosides of paeony are the active constituents of Paeoniae Radix Alba. In this study, a novel strategy was proposed to find more metabolites and the differences between paeoniflorin, albiflorin and total glucosides of paeony (TGP). This strategy was characterized as follows: firstly, the animals were divided into three groups (paeoniflorin, albiflorin and TGP) to identify the source of TGP metabolites from paeoniflorin or albiflorin; secondly, a generic information‐dependent acquisition scan for the low‐level metabolites was triggered by the multiple mass defect filter and dynamic background subtraction; thirdly, the metabolites were identified with a combination of data‐processing methods including mass defect filtering, neutral loss filtering and product ion filtering; finally, a comparative study was used in the metabolism of paeoniflorin, albiflorin and TGP. Based on the strategy, 18 metabolites of TGP, 10 metabolites of paeoniflorin and 13 metabolites of albiflorin were identified respectively. The results indicated that the hydrolysis, conjugation reaction and oxidization were the major metabolic pathways, and the metabolic sites were the glycosidic linkage, the ester bond and the benzene ring. This study is first to explore the metabolism of TGP, and these findings enhance our understanding of the metabolism and the interactions of paeoniflrin and albiflorin in TGP. Copyright © 2015 John Wiley & Sons, Ltd. 相似文献
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This paper is concerned with the mixed initial–boundary value problem for semilinear wave equations with complementary frictional dampings and memory effects. We successfully establish uniform exponential and polynomial decay rates for the solutions to this initial–boundary value problem under much weak conditions concerning memory effects. More specifically, we obtain the exponential and polynomial decay rates after removing the fundamental condition that the memory-effect region includes a part of the system boundary, while the condition is a necessity in the previous literature; moreover, for the polynomial decay rates we only assume minimal conditions on the memory kernel function g, without the usual assumption of controlled by g. 相似文献
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We generalize Nagel’s formula for the Szegö kernel and use it to compute the Szegö kernel on a class of non-compact CR manifolds whose tangent space decomposes into one complex direction and several totally real directions. We also discuss the control metric on these manifolds and relate it to the size of the Szegö kernel. 相似文献