Key Laboratory of TCM Information Engineering of State Administration of TCM

Beijing, China

Key Laboratory of TCM Information Engineering of State Administration of TCM

Beijing, China

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Li Y.,Key Laboratory of TCM Information Engineering of State Administration of TCM | Wu Z.-S.,Key Laboratory of TCM Information Engineering of State Administration of TCM | Pan X.-N.,Key Laboratory of TCM Information Engineering of State Administration of TCM | Shi X.-Y.,Key Laboratory of TCM Information Engineering of State Administration of TCM | And 3 more authors.
Guang Pu Xue Yu Guang Pu Fen Xi/Spectroscopy and Spectral Analysis | Year: 2014

The quality of Chinese materia medica (CMM) is affected by every process in CMM manufacturing. According to multi-unit complex features in the production of CMM, on-line near infrared spectroscopy (NIR) is used as an evaluating technology with its rapid, non-destructive and non-pollution etc. advantages. With the research in institutions, the on-line NIR applied in process analysis and control of CMM was described systematically, and the on-line NIR platform building was used as an example to clarify the feasibility of on-line NIR technology in CMM manufacturing process. Then, from the point of application by pharmaceutical companies, the current on-line NIR research on CMM and its production in pharmaceutical companies was relatively comprehensively summarized. Meanwhile, the types of CMM productions were classified in accordance with two formulations (liquid and solid dosage formulations). The different production processes (extraction, concentration and alcohol precipitation, etc.) were used as liquid formulation diacritical points; the different types (tablets, capsules and plasters, etc.) were used as solid dosage formulation diacritical points, and the reliability of on-line NIR used in the whole process in CMM production was proved in according to the summary of literatures in recent 10 years, which could support the modernization of CMM production.


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).


Liu X.,Beijing University of Chinese Medicine | Liu X.,Key Laboratory of TCM information Engineering of State Administration of TCM | Ma Q.,Beijing University of Chinese Medicine | Ma Q.,Key Laboratory of TCM information Engineering of State Administration of TCM | And 10 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.


Wu Z.,Beijing University of Chinese Medicine | Wu Z.,Key Laboratory of TCM Information Engineering of State Administration of TCM | Sui C.,Beijing University of Chinese Medicine | Sui C.,Key Laboratory of TCM Information Engineering of State Administration of TCM | And 10 more authors.
Journal of Pharmaceutical and Biomedical Analysis | Year: 2013

A methodology is proposed to estimate the multivariate detection limits (MDL) of on-line near-infrared (NIR) model in Chinese Herbal Medicines (CHM) system. In this paper, Lonicera japonica was used as an example, and its extraction process was monitored by on-line NIR spectroscopy. Spectra of on-line NIR could be collected by two fiber optic probes designed to transmit NIR radiation by a 2mm-flange. High performance liquid chromatography (HPLC) was used as a reference method to determine the content of chlorogenic acid in the extract solution. Multivariate calibration models were carried out including partial least squares regression (PLS) and interval partial least-squares (iPLS). The result showed improvement of model performance: compared with PLS model, the root mean square errors of prediction (RMSEP) of iPLS model decreased from 0.111mg to 0.068mg, and the R2 parameter increased from 0.9434 to 0.9801. Furthermore, MDL values were determined by a multivariate method using the type of errors and concentration ranges. The MDL of iPLS model was about 14ppm, which confirmed that on-line NIR spectroscopy had the ability to detect trace amounts of chlorogenic acid in L. japonica. As a result, the application of on-line NIR spectroscopy for monitoring extraction process in CHM could be very encouraging and reliable. © 2013 .


Wu Z.,Beijing University of Chinese Medicine | Wu Z.,Key Laboratory of TCM information Engineering of State Administration of TCM | Ma Q.,Beijing University of Chinese Medicine | Ma Q.,Key Laboratory of TCM information Engineering of State Administration of TCM | And 10 more authors.
Talanta | Year: 2013

Our previous work had proved that accuracy profile theory could be employed as a means of validating one PLS model in Chinese material medica system. In this paper, accuracy profile theory is proposed as a powerful decision tool to demonstrate the prediction performance of multi-model at each concentration level rather than all concentration levels. Partial least square (PLS), interval partial least square (iPLS), backward interval partial least square (BiPLS) and moving window partial least square (MWPLS) were selected to construct visible and near-infrared (vis/NIR) spectroscopy models. Chemometric indicators, i.e., determination coefficient (R2), root-mean-square error of prediction (RMSEP) and ratio of performance to inter-quartile (RPIQ), were used to select the optimum model. However, the results clarified that these commonly used indicators could not clearly demonstrate different PLS models' ability because these indicators depend on all concentration levels to assess the multi-model. Therefore, total error concept (accuracy profile theory) was introduced to assess the ability of multi-model at each concentration level. Analytical methodology parameters, i.e., linearity, relative bias, uncertainty, repeatability, intermediate precision, lower limit of quantification (LLOQ) and risk, were calculated by accuracy profile theory. Final results showed that model selection strategy which was based on model assessment at every concentration level was more sensitive than the one based on all concentration levels. The analytical procedures involved in this work ensure that model selection strategy using total error concept is coherent. © 2013 Elsevier B.V.


Wu Z.,Beijing University of Chinese Medicine | Wu Z.,Key Laboratory of TCM information Engineering of State Administration of TCM | Shi X.,Beijing University of Chinese Medicine | Shi X.,Key Laboratory of TCM information Engineering of State Administration of TCM | And 5 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.


Wu Z.,Beijing University of Chinese Medicine | Wu Z.,Key Laboratory of TCM information Engineering of State Administration of TCM | Ouyang G.,Beijing University of Chinese Medicine | Ouyang G.,Key Laboratory of TCM information Engineering of State Administration of TCM | And 8 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.


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 6 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.


Zhou L.,Beijing University of Chinese Medicine | Zhou L.,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 10 more authors.
Journal of Spectroscopy | Year: 2014

This study demonstrated that near infrared chemical imaging (NIR-CI) was a rapid and nondestructive technique for discrimination of chlorpheniramine maleate (CPM) and assessment of its surface content uniformity (SCU) in a pharmaceutical formulation. The characteristic wavenumber method was used for discriminating CPM distribution on the tablet surface. To assess the surface content uniformity of CPM, binary image and statistical measurement were proposed. Furthermore, high-performance liquid chromatography (HPLC) was used as reference method for accurately determining volume content of CPM in the sample. Moreover, HPLC was performed to assess volume content uniformity (VCU) of CPM in whole region and part region of the tablets. The NIR-CI result showed that the spatial distribution of CPM was heterogeneous on the tablet surface. Through the comparison of content uniformity of CPM determined by NIR-CI and HPLC, respectively, it demonstrated that a high degree of VCU did not imply a high degree of SCU of the samples. These results indicate that HPLC method is not suitable for testing SCU, and this has been verified by NIR-CI. This study proves the feasibility of NIR-CI for rapid discrimination of CPM and assessment of its SCU, which is helpful for the quality control of commercial CPM tablets. © 2014 Luwei Zhou et al.

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