[Quantitative Analysis of Deep-Frying Oil Adulterated Virgin Olive Oil Using Vis-NIR Spectroscopy with iPLS].

To explore a rapid and reliable method for quantitative analysis of deep-frying oil adulterated virgin olive oil, visible and near infrared(Vis-NIR) spectroscopy and three improved partial least squares methods, including interval Partial Least Squares (iPLS), synergy interval partial least squares (SiPLS) and backward interval partial least squares (BiPLS) were employed to establish predicting models of doping content based on virgin olive oil adulterating different levels and different types of deep-frying oil. And the models were compared in order to choose the best one. The Vis-NIR spectroscopy ranged from 400 to 2 500 nm was obtained directly from the adulterated samples, and the spectroscopic data was preprocessed with Savitzky-Golay (SG). Then, the samples were divided into calibration set and test set by Sample Set Partitioning based on Joint X-Y Distance (SPXY) after rejecting the odd samples. At last, the predicting models of doping content were built by using different interval partial least squares methods. The results showed that the optimal model for predicting the doping content of deep-frying soybean oil in virgin olive oil was obtained with SiPLS method that separated the whole spectra into 20 intervals and combined the fourth and the sixteenth intervals. The SiPLS model had correlation coefficient (r) of 0.998 9 and root mean standard error of prediction (RMSEP) of 0.019 2. In addition, for deep-frying peanut oil adulterated virgin olive oil, the SiPLS and BiPLS models with interval 2 and interval 16 which the whole spectra was separated into 20 intervals, had same results. The RMSEP was 0.012 0, lower than iPLS model. Moreover, compared to SiPLS method, BiPLS method saved computation and was more efficient. Overall, through selecting the effective wavelength range, SiPLS method and BiPLS method could accurately predict the doping content of deep-frying oil in virgin olive oil based on its' Vis-NIR spectroscopy. In addition, this fast and nondestructive experiment doesn't need sample pretreatment with advantages of no environment pollution, easy operation.

[Rapid Identification of Epicarpium Citri Grandis via Infrared Spectroscopy and Fluorescence Spectrum Imaging Technology Combined with Neural Network].

To explore rapid reliable methods for detection of Epicarpium citri grandis (ECG), the experiment using Fourier Transform Attenuated Total Reflection Infrared Spectroscopy (FTIR/ATR) and Fluorescence Spectrum Imaging Technology combined with Multilayer Perceptron (MLP) Neural Network pattern recognition, for the identification of ECG, and the two methods are compared. Infrared spectra and fluorescence spectral images of 118 samples, 81 ECG and 37 other kinds of ECG, are collected. According to the differences in tspectrum, the spectra data in the 550-1 800 cm(-1) wavenumber range and 400-720 nm wavelength are regarded as the study objects of discriminant analysis. Then principal component analysis (PCA) is applied to reduce the dimension of spectroscopic data of ECG and MLP Neural Network is used in combination to classify them. During the experiment were compared the effects of different methods of data preprocessing on the model: multiplicative scatter correction (MSC), standard normal variable correction (SNV), first-order derivative(FD), second-order derivative(SD) and Savitzky-Golay (SG). The results showed that: after the infrared spectra data via the Savitzky-Golay (SG) pretreatment through the MLP Neural Network with the hidden layer function as sigmoid, we can get the best discrimination of ECG, the correct percent of training set and testing set are both 100%. Using fluorescence spectral imaging technology, corrected by the multiple scattering (MSC) results in the pretreatment is the most ideal. After data preprocessing, the three layers of the MLP Neural Network of the hidden layer function as sigmoid function can get 100% correct percent of training set and 96.7% correct percent of testing set. It was shown that the FTIR/ATR and fluorescent spectral imaging technology combined with MLP Neural Network can be used for the identification study of ECG and has the advantages of rapid, reliable effect.

Synthesis and antitumor activity of liquiritigenin thiosemicarbazone derivatives.

In an attempt to develop potent and selective antitumor agents, a series of liquiritigenin thiosemicarbazone derivatives were designed and synthesized. The cytotoxicities of these compounds were evaluated in vitro against K562, DU-145, SGC-7901, HCT-116 and Hela cell lines. The pharmacological results showed that most of the prepared compounds displayed excellent selective cytotoxicity toward K562 and DU-145 cells. From the structure-activity relationships we may conclude that the introduction of a thiosemicarbazone functional group at the 4-position in the skeleton of liquiritigenin is associated with an increase in cytotoxicity.