An Algorithm Framework for Drug-Induced Liver Injury Prediction Based on Genetic Algorithm and Ensemble Learning

In the process of drug discovery, drug-induced liver injury (DILI) is still an active research field and is one of the most common and important issues in toxicity evaluation research. It directly leads to the high wear attrition of the drug. At present, there are a variety of computer algorithms based on molecular representations to predict DILI. It is found that a single molecular representation method is insufficient to complete the task of toxicity prediction, and multiple molecular fingerprint fusion methods have been used as model input. In order to solve the problem of high dimensional and unbalanced DILI prediction data, this paper integrates existing datasets and designs a new algorithm framework, Rotation-Ensemble-GA (R-E-GA). The main idea is to find a feature subset with better predictive performance after rotating the fusion vector of high-dimensional molecular representation in the feature space. Then, an Adaboost-type ensemble learning method is integrated into R-E-GA to improve the prediction accuracy. The experimental results show that the performance of R-E-GA is better than other state-of-art algorithms including ensemble learning-based and graph neural network-based methods. Through five-fold cross-validation, the R-E-GA obtains an ACC of 0.77, an F1 score of 0.769, and an AUC of 0.842.     

An Image Compression Encryption Algorithm Based on Chaos and ZUC Stream Cipher

In order to improve the transmission efficiency and security of image encryption, we combined a ZUC stream cipher and chaotic compressed sensing to perform image encryption. The parallel compressed sensing method is adopted to ensure the encryption and decryption efficiency. The ZUC stream cipher is used to sample the one-dimensional chaotic map to reduce the correlation between elements and improve the randomness of the chaotic sequence. The compressed sensing measurement matrix is constructed by using the sampled chaotic sequence to improve the image restoration effect. In order to reduce the block effect after the parallel compressed sensing operation, we also propose a method of a random block of images. Simulation analysis shows that the algorithm demonstrated better encryption and compression performance.     

区间数互补判断矩阵的拓扑排序方法

提出了方案之间进行比较时优于与劣于的定义,通过构造与区间数互补判断矩阵相对应的有向图的方法,将互补判断矩阵的排序问题转化为有向图中顶点的拓扑排序问题,将有向图中的顶点按照备选方案的重要性顺序输出,得到的顶点的序列即为备选方案的重要性排序,数值计算实例验证了该方法的有效性与可行性。     

Simultaneous Determination of Six Immunosuppressants in Human Whole Blood by HPLC-MS/MS Using a Modified QuEChERS Method

A high-performance liquid chromatography-tandem mass spectrometry method was established for the simultaneous determination of mycophenolic acid, mycophenolate mofetil, tacrolimus, rapamycin, everolimus and pimecrolimus in human whole blood by optimizing the QuEChERS (Quick, Easy, Cheap, Effective, Rugged, and Safe) preparation method. Whole blood was extracted into ethyl acetate, salted out with anhydrous magnesium sulfate, and purified with ethylenediamine-N-propyl silane adsorbent. The supernatant was evaporated under nitrogen until dry and finally reconstituted in methanol. Chromatographic separation was performed on an Agilent Poroshell 120 EC-C18 column in methanol (mobile phase A)-water (optimized for 0.1% acetic acid and 10 mM ammonium acetate, mobile phase B) at a 0.3 mL·min⁻¹ flow rate. Electrospray ionization and positive ion multiple reaction monitoring were used for detection. The time for of analysis was 13 min. The calibration curves range of tacrolimus, rapamycin, everolimus and pimecrolimus were in the range of 1–100 ng·mL⁻¹, mycophenolate mofetil in the range of 0.1–10 ng·mL⁻¹ and mycophenolic acid at 10–1000 ng·mL⁻¹. All correlation coefficients were >0.993. The coefficients of variation (CV, %) for inter-day and intra-day precision were less than 10%, while the spiked recoveries were in the range of 92.1% to 116%. Our method was rapid, sensitive, specific, and reproducible for the simultaneous determination of six immunosuppressants in human whole blood. Importantly, our approach can be used to monitor drug concentrations in the blood to facilitate disease treatment.     

中国农民收入水平、受教育程度及其社会地位的实证研究

“三农”问题是我国相当长阶段内的社会问题,而所有的问题中最突出的是人的问题,即农民问题。本文主要通过四个部分对中国农民的收入水平、受教育程度及其社会地位进行了实证研究。在找出各种影响因素之后,通过建立经济学模型深入研究各个因素对农民收入水平、受教育程度的贡献大小,进而分析了农民社会地位的影响因素,最后对所得结论逐一分析探讨,提出了解决农民问题的一些途径。     

Cardiac-specific overexpression of Ndufs1 ameliorates cardiac dysfunction after myocardial infarction by alleviating mitochondrial dysfunction and apoptosis

Myocardial infarction (MI) is the leading cause of premature death among adults. Cardiomyocyte death and dysfunction of the remaining viable cardiomyocytes are the main pathological factors of heart failure after MI. Mitochondrial complexes are emerging as critical mediators for the regulation of cardiomyocyte function. However, the precise roles of mitochondrial complex subunits in heart failure after MI remain unclear. Here, we show that NADH:ubiquinone oxidoreductase core subunit S1 (Ndufs1) expression is decreased in the hearts of heart failure patients and mice with myocardial infarction. Furthermore, we found that cardiac-specific Ndufs1 overexpression alleviates cardiac dysfunction and myocardial fibrosis in the healing phase of MI. Our results demonstrated that Ndufs1 overexpression alleviates MI/hypoxia-induced ROS production and ROS-related apoptosis. Moreover, upregulation of Ndufs1 expression improved the reduced activity of complex I and impaired mitochondrial respiratory function caused by MI/hypoxia. Given that mitochondrial function and cardiomyocyte apoptosis are closely related to heart failure after MI, the results of this study suggest that targeting Ndufs1 may be a potential therapeutic strategy to improve cardiac function in patients with heart failure.Subject terms: Heart failure, Myocardial infarction, Myocardial infarction     

适用于圆筒形增益区的同轴四镜腔的失调分析

采用矩阵光学方法,对适用于可见光的圆筒形增益区同轴四镜腔中的腔镜因倾斜而产生的失调特性进行了分析,给出了相关计算公式。该四镜腔由同轴的一个复曲面全反镜和两个光学玻璃加工的透镜和一个平面输出镜组成。以He-Ne激光器为例,给出了数值计算结果,关键元件复曲面镜的失调对输出的影响较大。这为腔元件的加工以及腔镜的安装调试提供了参考。     

Drift of Spiral Waves in Complex Ginzburg-Landau Equation

The spontaneous drift of the spiral wave in a finite domain in the complex Ginzburg-Landau equation is investigated numerically. By using the interactions between the spiral wave and its images, we propose a phenomenological theory to explain the observations.     

Tolman length of simple droplet: Theoretical study and molecular dynamics simulation

In 1949, Tolman found the relation between the surface tension and Tolman length, which determines the dimensional effect of the surface tension. Tolman length is the difference between the equimolar surface and the surface of tension. In recent years, the magnitude, expression, and sign of the Tolman length remain an open question. An incompressible and homogeneous liquid droplet model is proposed and the approximate expression and sign for Tolman length are derived in this paper. We obtain the relation between Tolman length and the radius of the surface of tension(R_s) and found that they increase with the Rs decreasing. The Tolman length of plane surface tends to zero. Taking argon for example, molecular dynamics simulation is carried out by using the Lennard–Jones(LJ) potential between atoms at a temperature of 90 K. Five simulated systems are used, with numbers of argon atoms being 10140, 10935, 11760, 13500, and 15360, respectively. By methods of theoretical study and molecular dynamics simulation, we find that the calculated value of Tolman length is more than zero, and it decreases as the size is increased among the whole size range. The value of surface tension increases with the radius of the surface of tension increasing, which is consistent with Tolman’s theory. These conclusions are significant for studying the size dependence of the surface tension.     

Green Tea (Camellia sinensis): A Review of Its Phytochemistry,Pharmacology, and Toxicology

Objectives Green tea (Camellia sinensis) is a kind of unfermented tea that retains the natural substance in fresh leaves to a great extent. It is regarded as the second most popular drink in the world besides water. In this paper, the phytochemistry, pharmacology, and toxicology of green tea are reviewed systematically and comprehensively. Key findings Green tea has been demonstrated to be good for human health. Nowadays, multiple pharmacologically active components have been isolated and identified from green tea, including tea polyphenols, alkaloids, amino acids, polysaccharides, and volatile components. Recent studies have demonstrated that green tea shows versatile pharmacological activities, such as antioxidant, anticancer, hypoglycemic, antibacterial, antiviral, and neuroprotective. Studies on the toxic effects of green tea extract and its main ingredients have also raised concerns including hepatotoxicity and DNA damage. Summary Green tea can be used to assist the treatment of diabetes, Alzheimer’s disease, oral cancer, and dermatitis. Consequently, green tea has shown promising practical prospects in health care and disease prevention.