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Predictive models on photolysis and photoinduced toxicity of persistent organic chemicals

Qing ZHANG

《环境科学与工程前沿（英文）》 2013年 第7卷 第6期   页码 803-814 doi: 10.1007/s11783-013-0547-7

摘要： Photodegradation is a major abiotic transformation pathway of toxic chemicals in the environment, which in some cases might lead to photoinduced toxicities. The data on photodegradation kinetics and photoinduced toxicities of organic chemicals are essential for their risk assessment. However, the relevant data are only available for a limited number of chemicals, due to the difficulty and high cost of experimental determination. Quantitative structure-activity relationship (QSAR) models that relate photodegradation kinetics or photoinduced toxicity of organic chemicals with their physicochemical properties or molecular structural descriptors may enable simple and fast estimation of their photochemical behaviors. This paper reviews the QSAR models on photodegradation quantum yields and rate constants for toxic organic chemicals in different media including liquid phase, gaseous phase, surfaces of plant leaves, and QSAR models on photoinduced toxicity of organic chemicals to plants, bacteria, and aquatic invertebrates. Further prospects for QSAR model development on photodegradation kinetics and photoinduced toxicity of refractory organic chemicals are proposed.

关键词： quantitative structure-activity relationship (QSAR) models     photodegradation     persistent organic pollutants     environmental media     mechanisms    

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Unconfined compressive strength prediction of soils stabilized using artificial neural networks and support vector machines

Alireza TABARSA, Nima LATIFI, Abdolreza OSOULI, Younes BAGHERI

《结构与土木工程前沿（英文）》 2021年 第15卷 第2期   页码 520-536 doi: 10.1007/s11709-021-0689-9

摘要： This study aims to improve the unconfined compressive strength of soils using additives as well as by predicting the strength behavior of stabilized soils using two artificial-intelligence-based models. The soils used in this study are stabilized using various combinations of cement, lime, and rice husk ash. To predict the results of unconfined compressive strength tests conducted on soils, a comprehensive laboratory dataset comprising 137 soil specimens treated with different combinations of cement, lime, and rice husk ash is used. Two artificial-intelligence-based models including artificial neural networks and support vector machines are used comparatively to predict the strength characteristics of soils treated with cement, lime, and rice husk ash under different conditions. The suggested models predicted the unconfined compressive strength of soils accurately and can be introduced as reliable predictive models in geotechnical engineering. This study demonstrates the better performance of support vector machines in predicting the strength of the investigated soils compared with artificial neural networks. The type of kernel function used in support vector machine models contributed positively to the performance of the proposed models. Moreover, based on sensitivity analysis results, it is discovered that cement and lime contents impose more prominent effects on the unconfined compressive strength values of the investigated soils compared with the other parameters.

关键词： unconfined compressive strength     artificial neural network     support vector machine     predictive models     regression    

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Real-time mobile robot teleoperation via Internet based on predictive control

WANG Shihua, XU Bugong, WANG Shihua, ZHOU Yeming, LIU YunHui

《机械工程前沿（英文）》 2008年 第3卷 第3期   页码 299-306 doi: 10.1007/s11465-008-0049-7

摘要： A remote control system that can control a mobile robot in real time via the internet is proposed. To compensate for the network delay and counteract its impact on the teleoperation system, a predictive control scheme based on the modified Smith predictor proposed is selected. To ensure the stability and transparency of the system, a dynamic model manager is designed based on the information exchange between the sensors at the master and slave sides. To precisely predict the time delay, a new timer synchronization algorithm is proposed. To decrease delay- jitter, a new data buffer scheme is performed. Force feedback and a virtual predictive display are introduced to enhance the real-time efficiency of teleoperation. The usefulness and effectiveness of the proposed method and system are proven by teleoperation experiments via the internet over a long distance.

关键词： predictive     feedback     virtual predictive     distance     synchronization algorithm    

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SARS传染病数学建模及预测预防控制机理研究

刘云忠,宣慧玉,林国玺

《中国工程科学》 2004年 第6卷 第9期   页码 60-65

摘要：

首先，利用疾病传播的一般规律及人口守恒统计法则建立了四类人的SARS传染病数学模型，然后运用数学方法对四类人的SARS传染病数学模型进行分析，得出了其生理意义和预防、控制机理。其次，利用人工神经网络理论建立了SARS的预测模型，以北京市的SARS数据为例进行了预测和分析，预测结果显示该模型简单易行，预测精度高。

关键词： SARS     稳定性     轨线     阈值定理     人工神经网络    

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Multi-timescale optimization scheduling of interconnected data centers based on model predictive control

《能源前沿（英文）》 doi: 10.1007/s11708-023-0912-6

摘要： With the promotion of “dual carbon” strategy, data center (DC) access to high-penetration renewable energy sources (RESs) has become a trend in the industry. However, the uncertainty of RES poses challenges to the safe and stable operation of DCs and power grids. In this paper, a multi-timescale optimal scheduling model is established for interconnected data centers (IDCs) based on model predictive control (MPC), including day-ahead optimization, intraday rolling optimization, and intraday real-time correction. The day-ahead optimization stage aims at the lowest operating cost, the rolling optimization stage aims at the lowest intraday economic cost, and the real-time correction aims at the lowest power fluctuation, eliminating the impact of prediction errors through coordinated multi-timescale optimization. The simulation results show that the economic loss is reduced by 19.6%, and the power fluctuation is decreased by 15.23%.

关键词： model predictive control     interconnected data center     multi-timescale     optimized scheduling     distributed power supply     landscape uncertainty    

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The CatMath: an online predictive platform for thermal + electrocatalysis

《化学科学与工程前沿（英文）》 2023年 第17卷 第12期   页码 2156-2160 doi: 10.1007/s11705-023-2371-3

摘要： The catalytic volcano activity models are the quantified and visualized tools of the Sabatier principle for heterogeneous catalysis, which can depict the intrinsic activity optima and trends of a catalytic reaction as a function of the reaction descriptors, i.e., the bonding strengths of key reaction species. These models can be derived by microkinetic modeling and/or free energy changes in combination with the scaling relations among the reaction intermediates. Herein, we introduce the CatMath—an online platform for generating a variety of common and industrially important thermal + electrocatalysis. With the CatMath, users can request the volcano models for available reactions and analyze their materials of interests as potential catalysts. Besides, the CatMath provides the function of the online generation of Surface Pourbaix Diagram for surface state analysis under electrocatalytic conditions, which is an essential step before analyzing the activity of an electrocatalytic surface. All the model generation and analysis processes are realized by cloud computing via a user-friendly interface.

关键词： CatMath     catalysis     volcano activity plots     Surface Pourbaix Diagrams     online platform    

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Extended model predictive control scheme for smooth path following of autonomous vehicles

《机械工程前沿（英文）》 2022年 第17卷 第1期   页码 4-4 doi: 10.1007/s11465-021-0660-4

摘要： This paper presents an extended model predictive control (MPC) scheme for implementing optimal path following of autonomous vehicles, which has multiple constraints and an integrated model of vehicle and road dynamics. Road curvature and inclination factors are used in the construction of the vehicle dynamic model to describe its lateral and roll dynamics accurately. Sideslip, rollover, and vehicle envelopes are used as multiple constraints in the MPC controller formulation. Then, an extended MPC method solved by differential evolution optimization algorithm is proposed to realize optimal smooth path following based on driving path features. Finally, simulation and real experiments are carried out to evaluate the feasibility and the effectiveness of the extended MPC scheme. Results indicate that the proposed method can obtain the smooth transition to follow the optimal drivable path and satisfy the lateral dynamic stability and environmental constraints, which can improve the path following quality for better ride comfort and road availability of autonomous vehicles.

关键词： autonomous vehicles     vehicle dynamic modeling     model predictive control     path following     optimization algorithm    

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machine-learning-based system identification of dynamical systems under control: application towards the model predictive

《化学科学与工程前沿（英文）》 2022年 第16卷 第2期   页码 237-250 doi: 10.1007/s11705-021-2058-6

摘要： Advanced model-based control strategies, e.g., model predictive control, can offer superior control of key process variables for multiple-input multiple-output systems. The quality of the system model is critical to controller performance and should adequately describe the process dynamics across its operating range while remaining amenable to fast optimization. This work articulates an integrated system identification procedure for deriving black-box nonlinear continuous-time multiple-input multiple-output system models for nonlinear model predictive control. To showcase this approach, five candidate models for polynomial and interaction features of both output and manipulated variables were trained on simulated data and integrated into a nonlinear model predictive controller for a highly nonlinear continuous stirred tank reactor system. This procedure successfully identified system models that enabled effective control in both servo and regulator problems across wider operating ranges. These controllers also had reasonable per-iteration times of ca. 0.1 s. This demonstration of how such system models could be identified for nonlinear model predictive control without prior knowledge of system dynamics opens further possibilities for direct data-driven methodologies for model-based control which, in the face of process uncertainties or modelling limitations, allow rapid and stable control over wider operating ranges.

关键词： nonlinear model predictive control     black-box modeling     continuous-time system identification     machine learning     industrial applications of process control    

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A review on different theoretical models of electrocaloric effect for refrigeration

《能源前沿（英文）》 2023年 第17卷 第4期   页码 478-503 doi: 10.1007/s11708-023-0884-6

摘要： The performance parameters for characterizing the electrocaloric effect are isothermal entropy change and the adiabatic temperature change, respectively. This paper reviews the electrocaloric effect of ferroelectric materials based on different theoretical models. First, it provides four different calculation scales (the first-principle-based effective Hamiltonian, the Landau-Devonshire thermodynamic theory, phase-field simulation, and finite element analysis) to explain the basic theory of calculating the electrocaloric effect. Then, it comprehensively reviews the recent progress of these methods in regulating the electrocaloric effect and the generation mechanism of the electrocaloric effect. Finally, it summarizes and anticipates the exploration of more novel electrocaloric materials based on the framework constructed by the different computational methods.

关键词： electrocaloric effect     effective Hamiltonian     phase-field modeling     different theoretical models    

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Empirical models and design codes in prediction of modulus of elasticity of concrete

Behnam VAKHSHOURI, Shami NEJADI

《结构与土木工程前沿（英文）》 2019年 第13卷 第1期   页码 38-48 doi: 10.1007/s11709-018-0479-1

摘要： Modulus of Elasticity (MOE) is a key parameter in reinforced concrete design. It represents the stress-strain relationship in the elastic range and is used in the prediction of concrete structures. Out of range estimation of MOE in the existing codes of practice strongly affect the design and performance of the concrete structures. This study includes: (a) evaluation and comparison of the existing analytical models to estimating the MOE in normal strength concrete, and (b) proposing and verifying a new model. In addition, a wide range of experimental databases and empirical models to estimate the MOE from compressive strength and density of concrete are evaluated to verification of the proposed model. The results show underestimation of MOE of conventional concrete in majority of the existing models. Also, considering the consistency between density and mechanical properties of concrete, the predicted MOE in the models including density effect, are more compatible with the experimental results.

关键词： modulus of elasticity     normal strength normal weight concrete     empirical models     design codes     compressive strength     density    

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Monitoring checkpoint inhibitors: predictive biomarkers in immunotherapy

Min Zhang, Jingwen Yang, Wenjing Hua, Zhong Li, Zenghui Xu, Qijun Qian

《医学前沿（英文）》 2019年 第13卷 第1期   页码 32-44 doi: 10.1007/s11684-018-0678-0

摘要：

Immunotherapy has become the fourth cancer therapy after surgery, chemotherapy, and radiotherapy. In particular, immune checkpoint inhibitors are proved to be unprecedentedly in increasing the overall survival rates of patients with refractory cancers, such as advanced melanoma, non-small cell lung cancer, and renal cell carcinoma. However, inhibitor therapies are only effective in a small proportion of patients with problems, such as side effects and high costs. Therefore, doctors urgently need reliable predictive biomarkers for checkpoint inhibitor therapies to choose the optimal therapies. Here, we review the biomarkers that can serve as potential predictors of the outcomes of immune checkpoint inhibitor treatment, including tumor-specific profiles and tumor microenvironment evaluation and other factors.

关键词： immune checkpoint     companion diagnosis     PD-L1     tumor mutation burden     immune score    

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Abnormal glycosylated hemoglobin as a predictive factor for glucose metabolism disorders in antipsychotic

XU Leping, JI Juying, DUAN Yiyang, SHI Hui, ZHANG Bin, SHAO Yaqin, SUN Jian

《医学前沿（英文）》 2007年 第1卷 第3期   页码 316-319 doi: 10.1007/s11684-007-0061-z

摘要： The aim of this study was to observe the changes in glucose metabolism after antipsychotic (APS) therapy, to note the influencing factors, as well as to discuss the relationship between the occurrence of glucose metabolism disorders of APS origin and abnormal glycosylated hemoglobin (HbAc) levels. One hundred and fifty-two patients with schizophrenia, whose fasting plasma glucose (FPG) and 2-h plasma glucose (2hPG) in the oral glucose tolerance test (2HPG) were normal, were grouped according to the HbAc levels, one normal and the other abnormal, and were randomly enrolled into risperidone, clozapine and chlorpromazine treatment for six weeks. The FPG and 2hPG were measured at the baseline and at the end of the study. In the group with abnormal HbA1c and clozapine therapy, 2HPG was higher after the study [(9.5±1.8) mmol/L] than that before the study [(7.2±1.4) mmol/L] and the difference was statistically significant (〈0.01). FPG had no statistically significant difference before and after the study in any group (〉0.05). HbAc levels and drugs contributing to 2HPG at the end of study had statistical cross-action (〈0.01). In the abnormal HbAc group, 2HPG after the study was higher in the clozapine treatment group [(9.5±1.8) mmol/L] than in the risperidone treatment group [(7.4±1.7) mmol/L] and the chlorpromazine treatment group [(7.3±1.6) mmol/L]. The differences were statistically significant (〈0.01). In the normal HbAc group there was no statistically significant difference before and after the study in any group (〉0.05). 2HPG before [(7.1±1.6) mmol/L] and after the study [(8.1±1.9) mmol/L] was higher in the abnormal HbAc group than in the normal HbAc group [(6.2±1.4) mmol/L (6.5±1.4) mmol/L] with the difference being statistically significant (〈0.01 〈0.001). As compared with normal HbAc group, the relative risk (RR) of glucose metabolism disease occurrence was 4.7 in the abnormal HbAc group with the difference being statistically significant (〈0.001). Patients with abnormal HbAc are more likely to have a higher risk of having glucose metabolism disorders after APS treatment.

关键词： significant difference     occurrence     hemoglobin     risperidone treatment     abnormal    

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Managing economic and social profit of cooperative models in three-echelon reverse supply chain for waste

Jian Li, Zhen Wang, Bao Jiang

《环境科学与工程前沿（英文）》 2017年 第11卷 第5期 doi: 10.1007/s11783-017-0999-2

摘要： In addition to maximizing economic benefits, reverse supply chains should further seek to maximize social benefits by increasing the quantity of waste electrical and electronic equipment (WEEE). The paper investigates cooperative models with different parties in a three-echelon reverse supply chain for WEEE consisting of a single collector, a single remanufacturer, and two retailers based on complete information. In addition, the optimal decisions of four cooperative models and the effect of the market demand of remanufactured WEEE products and the market share of two retailers on the optimal decisions are discussed. The results indicate that optimal total channel profit and recycle quantity in a reverse supply chain are maximized in a centralized model. The optimal total channel profit and recycle quantity increase with an increase in the market demand of remanufactured WEEE products. The three-echelon reverse supply chain consisting of duopolistic retailers maximizes total channel profit and recycle quantity in a reverse supply chain for WEEE.

关键词： Waste electrical and electronic equipment (WEEE)     Reverse supply chains     Recycle quantity     Social benefit     Cooperative models     Duopolistic retailers    

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Impact analytical models for earthquake-induced pounding simulation

Kun YE, Li LI

《结构与土木工程前沿（英文）》 2009年 第3卷 第2期   页码 142-147 doi: 10.1007/s11709-009-0029-y

摘要： Structural pounding under earthquake has been recently extensively investigated using various impact analytical models. In this paper, a brief review on the commonly used impact analytical models is conducted. Based on this review, the formula used to determine the damping constant related to the impact spring stiffness, coefficient of restitution, and relative approaching velocity in the Hertz model with nonlinear damping is found to be incorrect. To correct this error, a more accurate approximating formula for the damping constant is theoretically derived and numerically verified. At the same time, a modified Kelvin impact model, which can reasonably account for the physical nature of pounding and conveniently implemented in the earthquake-induced pounding simulation of structural engineering is proposed.

关键词： structural pounding     Hertz model     Kelvin model     nonlinear damping     coefficient of restitution    

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The predictive value of chromosome 8p deletion for metastasis of hepatocellular carcinoma: a summary

QIN Lunxiu, TANG Zhaoyou, GUAN Xinyuan, YE Qinghai, JIA Huliang, REN Ning

《医学前沿（英文）》 2008年 第2卷 第3期   页码 211-215 doi: 10.1007/s11684-008-0041-y

摘要： Hepatocellular carcinoma (HCC) represents an extremely poor prognostic cancer, which is mainly due to the high frequency of metastasis/recurrence after surgical operation. Exploring the molecular mechanisms involved in HCC metastasis could be helpful in the prediction and early diagnosis of HCC recurrence and could also provide new therapeutic targets for HCC metastasis. In the recent decade, we analyzed the genomic aberrations of the clinical specimens, as well as the metastatic models and cell lines of human HCC to identify the genetic markers related to HCC metastasis and to verify their clinical values in the prediction and control of metastasis of HCC. Using the comparative genomic hybridization (CGH) technique, we compared the differences of chromosomal aberrations between primary HCC tumors and their matched metastatic lesions, and found that chromosome 8p deletions might contribute to HCC metastasis. This novel finding was further confirmed by comparison between nude mice models of HCC with different metastatic potentials. By the more sensitive genome-wide microsatellite analysis, 8p deletion was defined to 8p23.3 and 8p11.2, which are two likely regions harboring metastasis-related genes of HCC. Using ‘8p-specific’ microarrays, two novel metastatic suppressors ( and ) were identified, and were proven to suppress invasion and metastasis of HCC. Clinical studies indicate that 8p deletion detected in HCC or circulating plasma DNA of patients is a useful predictor for metastatic recurrence and prognosis, even for patients with early stage HCC. These novel findings are regarded as important advances in the study of the molecular mechanisms of HCC metastasis, which provide not only a holistic view on the molecular cytogenetic bases of HCC metastasis, but also candidate regions for further study to identify metastatic suppressor genes.

关键词： sensitive genome-wide     prediction     genome-wide microsatellite     frequency     Hepatocellular carcinoma    

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标题 作者 时间 类型 操作

Predictive models on photolysis and photoinduced toxicity of persistent organic chemicals

Qing ZHANG

期刊论文

Unconfined compressive strength prediction of soils stabilized using artificial neural networks and support vector machines

Alireza TABARSA, Nima LATIFI, Abdolreza OSOULI, Younes BAGHERI

期刊论文

Real-time mobile robot teleoperation via Internet based on predictive control

WANG Shihua, XU Bugong, WANG Shihua, ZHOU Yeming, LIU YunHui

期刊论文

SARS传染病数学建模及预测预防控制机理研究

刘云忠,宣慧玉,林国玺

期刊论文

Multi-timescale optimization scheduling of interconnected data centers based on model predictive control

期刊论文

The CatMath: an online predictive platform for thermal + electrocatalysis

期刊论文

Extended model predictive control scheme for smooth path following of autonomous vehicles

期刊论文

machine-learning-based system identification of dynamical systems under control: application towards the model predictive

期刊论文

A review on different theoretical models of electrocaloric effect for refrigeration

期刊论文

Empirical models and design codes in prediction of modulus of elasticity of concrete

Behnam VAKHSHOURI, Shami NEJADI

期刊论文

Monitoring checkpoint inhibitors: predictive biomarkers in immunotherapy

Min Zhang, Jingwen Yang, Wenjing Hua, Zhong Li, Zenghui Xu, Qijun Qian

期刊论文

Abnormal glycosylated hemoglobin as a predictive factor for glucose metabolism disorders in antipsychotic

XU Leping, JI Juying, DUAN Yiyang, SHI Hui, ZHANG Bin, SHAO Yaqin, SUN Jian

期刊论文

Managing economic and social profit of cooperative models in three-echelon reverse supply chain for waste

Jian Li, Zhen Wang, Bao Jiang

期刊论文

Impact analytical models for earthquake-induced pounding simulation

Kun YE, Li LI

期刊论文

The predictive value of chromosome 8p deletion for metastasis of hepatocellular carcinoma: a summary

QIN Lunxiu, TANG Zhaoyou, GUAN Xinyuan, YE Qinghai, JIA Huliang, REN Ning

期刊论文