Micro-Electro-Mechanical Systems/Near-Infrared Validation of Different Sampling Modes and Sample Sets Coupled with Multiple Models

Abstract

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.

Key words

near-infrared - accuracy profile - integrating sphere - process analytical technology - fiber optic sensor

• References

• 1 Qiao X, Liu CF, Ji S, Lin XH, Guo DA, Ye M. Simultaneous determination of five minor coumarins and flavonoids in Glycyrrhiza uralensis by solid-phase extraction and high-performance liquid chromatography/electrospray ionization tandem mass spectrometry. Planta Med 2014; 80: 237-242
• 2 Weeranantanaphan J, Downey G, Allen P, Sun DW. A review of near infrared spectroscopy in muscle food analysis: 2005–2010. J Near Infrared Spec 2011; 19: 61-104
• 3 Rasanen E, Sandler N. Near infrared spectroscopy in the development of solid dosage forms. J Pharmaceut Biomed 2007; 59: 147-159
• 4 Luypaert J, Massart DL, Heyden YV. Near-infrared spectroscopy applications in pharmaceutical analysis. Talanta 2007; 72: 865-883
• 5 Wu ZS, Du M, Sui CL, Shi XY, Qiao YJ. Development and validation of NIR model using low-concentration calibration range: rapid analysis of Lonicera japonica solution in ethanol precipitation process. Anal Methods 2012; 4: 1084-1088
• 6 Xu B, Wu ZS, Lin ZZ, Sui CL, Shi XY, Qiao YJ. NIR analysis for batch process of ethanol precipitation coupled with a new calibration model updating strategy. Anal Chim Acta 2012; 720: 22-28
• 7 Wu ZS, Xu B, Du M, Sui CL, Shi XY, Qiao YJ. Validation of a NIR quantification method for the determination of chlorogenic acid in Lonicera japonica solution in ethanol precipitation process. J Pharmaceut Biomed 2012; 62: 1-6
• 8 Wu ZS, Ma Q, Lin ZZ, Ai L, Shi XY, Qiao YJ. A novel model selection strategy using total error concept. Talanta 2013; 107: 248-254
• 9 Wu ZS, Sui CL, Xu B, Ai L, Ma Q, Shi XY, Qiao YJ. Multivariate detection limits of on-line NIR model for extraction process of chlorogenic acid from Lonicera japonica . J Pharmaceut Biomed 2013; 77: 16-20
• 10 Sun S, Chen J, Zhou Q, Lu G, Chan K. Application of mid-infrared spectroscopy in the quality control of traditional Chinese medicines. Planta Med 2010; 76: 1987-1996
• 11 Cozzolino D. Near infrared spectroscopy in natural products analysis. Planta Med 2009; 75: 746-756
• 12 Lu HY, Wang SS, Cai R, Meng Y, Xie X, Zhao WJ. Rapid discrimination and quantification of alkaloids in Corydalis Tuber by near-infrared spectroscopy. J Pharmaceut Biomed 2012; 59: 44-49
• 13 González-Caballero V, Pérez-Marín D, López MI, Sánchez MT. Optimization of NIR spectral data management for quality control of grape bunches during on-vine ripening. Sensors 2011; 11: 6109-6124
• 14 Ni YN, Song RM, Kokot S. Discrimination of Radix Isatidis and Rhizoma et Radix Baphicacanthis Cusia samples by near infrared spectroscopy with the aid of chemometrics. Spectrochim Acta A 2012; 96: 252-258
• 15 Chen Y, Xie MY, Zhang H, Wang YX, Nie SP, Li C. Quantification of total polysaccharides and triterpenoids in Ganoderma licidum and Ganoderma atrum by near infrared spectroscopy and chemometrics. Food Chem 2012; 135: 268-275
• 16 Lin H, Chen QS, Zhao JW, Zhou P. Determination of free amino acid content in Radix Pseudostellariae using near infrared spectroscopy and different multivariate calibrations. J Pharmaceut Biomed 2009; 50: 803-808
• 17 Lai YH, Ni YN, Kokot S. Discrimination of Rhizoma Corydalis from two sources by near-infrared spectroscopy supported by the wavelet transform and least-squares support vector machine methods. Vib Spectrosc 2011; 56: 154-160
• 18 Shi JY, Zou XB, Zhao JW, Holmes M, Wang KL, Wang X, Chen H. Determination of total flavonoids content in fresh Ginkgo biloba leaf with different colors using near infrared spectroscopy. Spectrochim Acta A 2012; 94: 271-276
• 19 Ziemons E, Barillaro V, Rozet E, Mbakop NW, Lejeune R, Angenot L, Thunus L, Hubert P. Direct determination of tagitinin C in Tithonia diversifolia leaves by on-line coupling of supercritical carbon dioxide extraction to FT-IR spectroscopy by means of optical fibres. Talanta 2007; 71: 911-917
• 20 Roggo Y, Chalus P, Maurer L, Lema Martinez C, Edmond A, Jent N. A review of near infrared spectroscopy and chemometrics in pharmaceutical technologies. J Pharmaceut Biomed 2007; 44: 683-700
• 21 Wu ZS, Du M, Xu B, Lin ZZ, Shi XY, Qiao YJ. Absorption characteristics and quantitative contribution of overtones and combination of NIR: method development and validation. J Mol Struct 2012; 1019: 97-102
• 22 Gonzalez AG, Herrador MA. A practical guide to analytical method validation, including measurement uncertainty and accuracy profiles. Trac-Trend Anal Chem 2007; 26: 227-238
• 23 Mantanus J, Ziemons E, Lebrun P, Rozet E, Klinkenberg R, Streel B, Evrard B, Hubert P. Active content determination of non-coated pharmaceutical pellets by near infrared spectroscopy: method development, validation and reliability evaluation. Talanta 2010; 80: 1750-1757
• 24 Bouabidi A, Rozet E, Fillet M, Ziemons E, Chapuzet E, Mertens B, Klinkenberg R, Ceccato A, Talbi M, Streel B, Bouklouze A, Boulanger B, Hubert P. Critical analysis of several analytical method validation strategies in the framework of the fit for purpose concept. J Chromatogr A 2010; 1217: 3180-3192
• 25 Chinese Pharmacopoeia Commission. Pharmacopeia of Peopleʼs Republic of China. Beijing: China Medical Science Press; 2010: 1082-1084