Metabolomic Differentiation of Brassica rapa Following Herbivory by Different Insect Instars using Two-Dimensional Nuclear Magnetic Resonance Spectroscopy

The metabolic alterations of Brassica rapa (L.) leaves attacked by larvae of the specialist Plutella xylostella L. (Lepidoptera: Yponomeutidae) and the generalist Spodoptera exigua Hubner (Lepidoptera: Noctuidae) were investigated with nuclear magnetic resonance (NMR) spectroscopy, followed by a multivariate data analysis. The principal component analysis (PCA) of ¹H NMR spectra showed that metabolic changes in B. rapa leaves induced by the 2nd and the 4th instars were different from each other. However, the congestion of the one-dimensional ¹H NMR spectrum made it difficult to identify discriminating metabolites. To overcome the spectral complexity, several two-dimensional NMR techniques were applied. Of those evaluated, J-resolved spectroscopy, which affords an additional coupling constant, provided a wide range of structure information on differentiating the metabolites. Based on the J-resolved spectra combined with PCA, the major signals contributing to the discrimination were alanine, threonine, glucose, sucrose, feruloyl malate, sinapoyl malate, and gluconapin.     

Stereoselective Reduction of 1‐O‐Isopropyloxygenipin Enhances Its Neuroprotective Activity in Neuronal Cells from Apoptosis Induced by Sodium Nitroprusside

Genipin is a Chinese herbal medicine with both neuroprotective and neuritogenic activity. Because of its unstable nature, efforts have been to develop more stable genipin derivatives with improved biological activities. Among the new compounds reported in the literature, (1R)‐isopropyloxygenipin (IPRG001) is a more stable but less active compound compared with the parent, genipin. Here, two new IPRG001 derivatives generated by stereoselective reduction of the C₆=C₇ double bond were synthesized. The 1R and 1S isomers of (4aS,7S,7aS)‐methyl‐7‐(hydroxymethyl)‐1‐isopropoxy‐1,4a,5,6,7,7a‐hexahydrocyclopenta[c]pyran‐4‐carboxylate ( CHR20 and CHR21 ) were shown to be very stable both in high‐glucose cell culture medium and in mice serum at 37 °C. Evaluation using an MTT assay and Hoechst staining showed that CHR20 and CHR21 promote the survival of rat adrenal pheochromocytoma (PC12) and retinal neuronal (RGC‐5) cells from injury induced by sodium nitroprusside (SNP). The neuroprotective effects of CHR20 and CHR21 were greater than both isomers of IPRG001, the parent compounds. These results indicate that reduction of 1‐O‐isopropyloxygenipin enhances its neuroprotective activity without affecting its stability.     

BP神经网络结合变量选择方法在牛奶蛋白质含量检测中的应用

牛奶中的蛋白质含量会影响牛奶的品质,利用高光谱图像的光谱特征信息研究对牛奶蛋白质含量预测的可行性。本文提出一种基于竞争性自适应重加权算法(competitive adaptive reweighted sampling, CARS)和连续投影算法(successive projections algorithm, SPA)结合多层前馈神经网络(back propagation, BP)的预测建模方法,实验以含有不同浓度蛋白质的牛奶为对象,利用可见光/近红外高光谱成像系统共采集到5种牛奶共计250组高光谱数据,通过实验对比选择采用标准化方法对获取到的吸收光谱预处理,然后采用CARS结合SPA筛选特征波长,得到18个特征波长,建立CARS-SPA-BP模型,经过试验,CARS-SPA-BP模型的训练集决定系数和测试集决定系数R;和R;分别达到0.971和0.968,训练集均方根误差(root mean square error of calibration,RMSEC)和测试集均方根误差(root mean square error of prediction,RMSEP)达到了0.033和0.034。研究发现,采用CARS结合SPA筛选的牛奶特征波长建立的多层前馈神经网络模型,其模型预测结果与全波长建模相比并没有明显降低,因此将CARS结合SPA用于波长筛选并且结合BP神经网络基本可以完成对牛奶蛋白质含量的预测。为验证CARS-SPA-BP模型的预测能力,在相同数据环境下,使用较为传统的偏最小二乘回归(partial least squares regression, PLSR)进行建模,实验结果表明,CARS-SPA-BP相较于PLSR,R;和RMSEP均有明显提升。研究表明,CARS-SPA-BP可充分利用牛奶光谱特征信息实现较高精度的牛奶蛋白质含量检测。     

以玉米衣为模板生物遗态ZnO的制备及Pb2+吸附性能

以玉米衣为模板,利用生物模板法制备了生物遗态多孔ZnO。经过预处理的玉米衣在醋酸锌前驱体溶液中浸渍24h,烘干,800℃煅烧3h得到最终的产物。利用X射线衍射(X-ray)、扫描电镜(SEM)和透射电镜(TEM)对其进行表征,并研究了对铅离子的吸附性能。结果表明:通过原位生长技术,结晶度良好的ZnO晶粒自组装形成表面多孔的类卷叶状生物遗态ZnO;生物遗态ZnO对铅离子有良好的吸附性能,吸附量为49.9mg/g,在120min可基本达到吸附平衡,吸附过程符合准二级动力学模型,吸附等温线拟合结果较为符合Langmuir模型,且升温有利于吸附的进行。     

An incorporative statistic and neural approach for crop yield modelling and forecasting

An incorporative framework is proposed in this study for crop yield modelling and forecasting. It is a complementary approach to traditional time series analysis on modelling and forecasting by treating crop yield and associated factors as a non-temporal collection. Statistics are used to identify the highly related factor(s) among many associates to crop yield and then play a key role in data cleaning and a supporting role in data expansion, if necessary, for neural network training and testing. Wheat yield and associated plantation area, rainfall and temperature in Queensland of Australia over 100 years are used to test this incorporative approach. The results show that well-trained multilayer perceptron models can simulate the wheat production through given plantation areas with a mean absolute error (MAE) of ~2%, whereas the third-order polynomial correlation returns an MAE of ~20%. However, statistical analysis plays a key role in identifying the most related factor, detecting outliers, determining the general trend of wheat yield with respect to plantation area and supporting data expansion for neural network training and testing. The combination of these two methods provides both meaningful qualitative and accurate quantitative data analysis and forecasting. This incorporative approach can also be useful in data modelling and forecasting in other applications due to its generic nature.     

IBM—PC微机化工数据库的开发

微机化工数据库由数据检索,物性估算,气液平衡计算,数据回归四系统组成。该系统有数据可靠,操作简便,运行效率高以及兼备中英文操作语种等特点,并附带文献库。     

Influences of solution chemistry and polymeric natural organic matter on the removal of aquatic pharmaceutical residuals by nanofiltration

This study demonstrates the removal efficiency and the permeate flux behavior during cross-flow nanofiltration (NF) of aqueous solutions of five pharmaceutically active compounds (PhACs). Cephalexin, tetracycline, acetaminophen, indomethacin and amoxicillin were used as models of PhACs, and alginate was selected as model of natural organic matter (NOM). Two commercial composite NF membranes (SR2 and SR3) with different characteristics were used. The highest rejection was observed for tetracycline, i.e., 75-95% for membrane SR 2 and 95-100% for membrane SR 3, while the rejection was least for acetaminophen (32-36% for SR2 and 52-59% for SR3). As the pH of acetaminophen solution was increased (from 6 to 9) the rejection would increase. Changes of ionic content (from 10 to 20 mM) lead to increase (from 89 to 93% for SR 3) or decrease (from 100 to 91% for SR2) of cephalexin rejection depending on the membrane used. The permeate flux would decrease with decreasing the pH solution and increasing ionic strength. The addition of alginate in the feed stream decreased the permeate flux, with lower reduction for SR3, and increased the PhAC rejection except for acetaminophen and amoxicillin. Both size and Donnan exclusions seemed to occur, and the effect of Donnan exclusion was more pronounced for the NF membrane having larger effective pore size (SR2).