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Zhou Z.,Beijing University of Chinese Medicine | Zhou Z.,Fujian University of Traditional Chinese Medicine | Li Y.,Beijing University of Chinese Medicine | Zhang Q.,Beijing University of Chinese Medicine | And 9 more authors.
Planta Medica | Year: 2015

Different ensemble strategies were compared in online near-infrared models for monitoring active pharmaceutical ingredients of Traditional Chinese Medicine. Bagging partial least square regression and boosting partial least square regression were adopted to near-infrared models, to determine hesperidin and nobiletin content during the extraction process of Pericarpium Citri Reticulatae in a pilot scale system. Different pretreatment methods were investigated, including Savitzky-Golay smoothing, derivatives, multiplicative scatter correction, standard normal variate, normalize, and combinations of them. Two different variable selection methods, including synergy interval partial least squares and backward interval partial least squares algorithms, were performed. Based on the result of the synergy interval partial least squares algorithm, bagging partial least square regression and boosting partial least square regression were adopted into the quantitative analysis. The results demonstrated that the established approach could be applied for rapid determination and real-time monitoring of hesperidin and nobiletin in Pericarpium Citri Reticulatae (Citrus reticulata) during the extraction process. Comparing the results, the boosting partial least square regression provided a slightly better accuracy than the bagging partial least square regression. Finally, this paper provides a promising ensemble strategy on online near-infrared models in Chinese medicine. © Georg Thieme Verlag KG Stuttgart · New York. Source


Wu Z.,Beijing University of Chinese Medicine | Wu Z.,Key Laboratory of TCM information Engineering of State Administration of TCM | Wu Z.,Beijing Key Laboratory for Basic and Development Research on Chinese Medicine | Shi X.,Beijing University of Chinese Medicine | And 8 more authors.
Planta Medica | Year: 2015

The aim of the present study was to demonstrate the reliability of micro-electro-mechanical systems/near-infrared technology by investigating analytical models of two modes of sampling (integrating sphere and fiber optic probe modes) and different sample sets. Baicalin in Yinhuang tablets was used as an example, and the experimental procedure included the optimization of spectral pretreatments, selection of wavelength regions using interval partial least squares, moving window partial least squares, and validation of the method using an accuracy profile. The results demonstrated that models that use the integrating sphere mode are better than those that use fiber optic probe modes. Spectra that use fiber optic probe modes tend to be more susceptible to interference information because the intensity of the incident light on a fiber optic probe mode is significantly weaker than that on an integrating sphere mode. According to the test set validation result of the method parameters, such as accuracy, precision, risk, and linearity, the selection of variables was found to make no significant difference to the performance of the full spectral model. The performance of the models whose sample sets ranged widely in concentration (i.e., 1-4%) was found to be better than that of models whose samples had relatively narrow ranges (i.e., 1-2%). The establishment and validation of this method can be used to clarify the analytical guideline in Chinese herbal medicine about two sampling modes and different sample sets in the micro-electro-mechanical systems/near-infrared technique. © Georg Thieme Verlag KG Stuttgart. Source


Wang Y.,Beijing University of Chinese Medicine | Wang Y.,Key Laboratory of TCM information Engineering of State Administration of TCM | Wu Z.,Beijing University of Chinese Medicine | Wu Z.,Key Laboratory of TCM information Engineering of State Administration of TCM | And 8 more authors.
Journal of Innovative Optical Health Sciences | Year: 2016

The present study aimed at investigating the relationship between tablet hardness and homogeneity of different Yinhuang dispersible tablets by near-infrared chemical imaging (NIR-CI) technology. The regularity of best hardness was founded between tablet hardness and the spatial distribution uniformity of Yinhuang dispersible tablets. The ingredients homogeneity of Yinhuang dispersible tablets could be spatially determined using basic analysis of correlation between analysis (BACRA) method and binary image. Then different hardnesses of Yinhuang dispersible tablets were measured. Finally, the regularity between tablet hardness and the spatial distribution uniformity of Yinhuang dispersible tablets was illuminated by quantifying the agglomerate of polyvinyl poly pyrrolidone (PVPP). The result demonstrated that the distribution of PVPP was unstable when the hardness was too large or too small, while the agglomerate of PVPP was smaller and more stable when the best tablet hardness was 75N. This paper provided a novel methodology for selecting the best hardness in the tabletting process of Chinese Medicine Tablet. © 2016 The Author(s). Source


Wu Z.,Beijing University of Chinese Medicine | Wu Z.,Key Laboratory of TCM information Engineering of State Administration of TCM | Wu Z.,Beijing Key Laboratory for Basic and Development Research on Chinese Medicine | Ouyang G.,Beijing University of Chinese Medicine | And 14 more authors.
Optics and Spectroscopy (English translation of Optika i Spektroskopiya) | Year: 2014

The previous study mainly focused on the interpretation of the relationship between absorption characteristics and quantitative contribution in each near-infrared (NIR) frequency range. Furthermore, the absorption characteristics of NIR mainly cover overtones and combinations of molecular vibrations such as CH, OH, SH, and NH bonds. And it has been know that NIR wavelengths of C-H bond and O-H bond are assigned to different radio frequencies. This paper was intended to investigate the absorption characteristics of bond C-H and O-H bonds in NIR spectral range. Water and acetone which correspond to O-H and C-H bonds have been selected as typical solvents, as well as solutes. Calibration models were established using partial least square regression (PLS) and multiple linear regression (MLR). The parameter of the model were optimized by different spectral pretreatment methods. The result showed that the model set by Savitzky-Golay smooth (SG) in the spectral region of 810–1100 nm could successfully make accurate predictions. Short wave-NIR region has been discovered as optimum characteristic absorption of C-H and O-H bonds. © 2014, Pleiades Publishing, Ltd. Source


Liu X.,Beijing University of Chinese Medicine | Liu X.,Key Laboratory of TCM information Engineering of State Administration of TCM | Liu X.,Beijing Key Laboratory for Basic and Development Research on Chinese Medicine | Ma Q.,Beijing University of Chinese Medicine | And 17 more authors.
Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy | Year: 2015

Abstract Laser-induced breakdown spectroscopy (LIBS) was used to assess the cinnabar and realgar blending of An-Gong-Niu-Huang Wan (AGNH) in a pilot-scale experiment, including the blending end-point. The blending variability of two mineral medicines, cinnabar and realgar, were measured by signal relative intensity changing rate (RICR) and moving window standard deviation (MWSD) based on LIBS. Meanwhile, relative concentration changing rate (RCCR) was obtained based on the reference method involving inductively coupled plasma optical emission spectrometry (ICP-OES). The LIBS result was consistent with ICP-OES at blending end-point determinations of both mineral medicines. Unlike the ICP-OES method, LIBS does not have an elaborate digestion procedure. LIBS is a promising and rapid technique to understand the blending process of Chinese Materia Medica (CMM) containing cinnabar and realgar. These results demonstrate the potential of LIBS in monitoring CMM pharmaceutical production. © 2015 Elsevier B.V. Source

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