Manufacturer identification and storage time determination of “Dong’e Ejiao” using near infrared spectroscopy and chemometrics

We have developed a set of chemometric methods to address two critical issues in quality control of a precious traditional Chinese medicine (TCM), Dong’e Ejiao (DEEJ). Based on near infrared (NIR) spectra of multiple samples, the genuine manufacturer of DEEJ, e.g. Dong’e Ejiao Co., Ltd., was accurately identified among 21 suppliers by the fingerprint method using Hotelling T², distance to Model X (DModX), and similarity match value (SMV) as discriminate criteria. Soft independent modeling of the class analogy algorithm led to a misjudgment ratio of 6.2%, suggesting that the fingerprint method is more suitable for manufacturer identification. For another important feature related to clinical efficacy of DEEJ, storage time, the partial least squares-discriminant analysis (PLS-DA) method was applied with a satisfactory misjudgment ratio (15.6%) and individual prediction error around 1 year. Our results demonstrate that NIR spectra comprehensively reflect the essential quality information of DEEJ, and with the aid of proper chemometric algorithms, it is able to identify genuine manufacturer and determine accurate storage time. The overall results indicate the promising potential of NIR spectroscopy as an effective quality control tool for DEEJ and other precious TCM products.     

草酸钾-过氧化氢加合物的合成及结构表征

采用溶液结晶法制备了草酸钾-过氧化氢（K2C2O4·H2O2）晶体,过氧化氢的含量接近于理论值．利用红外光谱和X-射线衍射对草酸钾-过氧化氢加合物的结构进行了表征,得到了其红外光谱和X-射线衍射谱图,并对谱图进行了简要分析．     

密度泛函理论研究C2MH3(M=B,Al,Ga)的结构与电子性质

密度泛函理论研究表明C_2BH_3采取三员环状基态结构（C2v,^1A^1）,双电子占据的高域π分子轨道以及三角形几何中心处计算的较大的核独立化学位移NICS负值表明它具有芳香性,然而等价电子的C2AlH3与C2GaH3则采取非环状的乙烯状基态结构（C2v,^1A^1）.在与优化计算相同的理论水平上,最后预测了所有基态的红外光谱.     

一种基于单片机的红外测控系统

红外测控技术和单片机技术有着非常广泛的应用，本文介绍了一种基于单片机的红外测控系统，它采用了单片机控制技术和红外感应技术，集成了光学、电子、单片机和机械等技术于一体。该系统应用于自动冲水器的实际应用表明：系统工作可靠，成本低廉，经济效益显著。     

基于LonWorks技术的教室用电监控系统

为了对教室用电进行智能化监控与管理,通过选用双鉴探测器,作者开发了基于LonWorks神经元芯片控制器,组成教室用电网络监控系统;给出系统的软硬件设计、组态画面及特色组图,达到对教室电器运行状态及主要参数集中监控管理的目的,实现了节约用电与用电系统智能化、网络化。     

基于 CMT 的红外可见融合跟踪算法

现有大部分融合跟踪算法都使用分类器型跟踪算法,这种算法在目标尺度发生变化时会存在一定误差。虽然已有一些解决方案,但仍不能从根本上解决该问题,而且一般无法估算目标的旋转状态。为此,基于CMT 算法提出一种新的基于点的多传感器融合跟踪算法。在获取目标状态上综合了多传感器信息,并对目标中心使用卡尔曼滤波进行修正,能够跟踪目标并获得目标的尺度及旋转信息。实验结果表明,该算法在常见分辨率下跟踪非旋转目标,重叠率与现有算法相当,在分辨率较高的情况下,在实时性上具有优势。     

语音控制型小车

本小车是以凌阳16位单片机（SPCE061A）作为检测和控制核心,以语音识别技术和红外检测技术作辅助实现语音控制、语音播报、自动悬崖避障、实时行程测量、实时行程显示等多项功能。它是配合61板及凌阳迷你小车设计的,应用SPCE061A的众多资源,设计出的小车具有类似人的听觉（语音识别）,视觉（自动避障）和应答（语音播报）特色的功能。     

Application of NIR spectroscopy for firmness evaluation of peaches

The use of near infrared (NIR) spectroscopy was proved to be a useful tool for quality analysis of fruits. A bifurcated fiber type NIR spectrometer, with a detection range of 800～2500 nm by lnGaAs detector, was used to evaluate the firmness of peaches. Anisotropy of NIR spectra and firmness of peaches in relation to detecting positions of different parts (including three latitudes and three longitudes) were investigated. Both spectra absorbency and firmness of peach were influenced by longitudes (i,ii, iii) and latitudes (A, B, C). For modeling, two thirds of the samples were used as the calibration set and the remaining one third were used as the validation or prediction set. Partial least square regression (PLSR) models for different longitude and latitude spectra and for the whole fruit show that collecting several NIR spectra from different longitudes and latitudes of a fruit for NIR calibration modeling can improve the modeling performance. In addition, proper spectra pretreatments like scattering correction or derivative also can enhance the modeling performance. The best results obtained in this study were from the holistic model with multiplicative scattering correction (MSC) pretreatment, with correlation coefficient of cross-validation rcv=0.864, root mean square error of cross-validation RMSECV=6.71 N, correlation coefficient of calibration r=0.948, root mean square error of cali-bration RMSEC=4.21 N and root mean square error of prediction RMSEP=5.42 N. The results of this study are useful for further research and application that when applying NIR spectroscopy for objectives with anisotropic differences, spectra and quality indices are necessarily measured from several parts of each object to improve the modeling performance.     

制造行业红外线热源的对比和选择

分析了各种红外辐射器的性能，提出了红外线热源的选择原则，得出了远红外定向辐射器为，节能效果最好的红外热源的结论。     

红外光谱ν_C=0与取代基的电子效应

根据取代基对羰基的红外光谱振动频率的影响,推导出计算各类取代基电子效应的公式,计算结果,与取代基电子效应定性顺序很好吻合。