A feasibility study on the non-invasive analysis of bottled Compound E Jiao oral liquid using near infrared spectroscopy

Li, Wenlong; Han, Haifan; Zhang, Lu; Yan, Zhang; Qu, Haibin

doi:10.1016/j.snb.2015.01.073

Cited by 14 publications

(5 citation statements)

References 21 publications

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“…Li et al . applied NIR spectroscopy to two traditional Chinese medicine (TCM) technical processes control 6 , and proposed a non-destructive method to analyze Compound E Jiao oral liquid 7 . However, the components of Chinese materia medica (CMM) are complex.…”

Section: Introductionmentioning

confidence: 99%

Systematic discovery about NIR spectral assignment from chemical structural property to natural chemical compounds

Peng

Pei

et al. 2019

Sci Rep

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Spectra-structure interrelationship is still the weakness of NIR spectral assignment. In this paper, a comprehensive investigation from chemical structural property to natural chemical compounds was carried out for NIR spectral assignment. Surprisingly, we discovered that NIR absorption frequency of the skeleton structure with sp 2 hybridization is higher than one with sp 3 hybridization. Specifically, substituent was another vital factor to be explored, the first theory discovery demonstrated that the absorption intensity of methyl substituted benzene at 2330 nm has a linear relationship with the number of substituted methyl C-H. The greater the number of electrons given to the substituents, the larger the displacement distance of absorption bands is. In addition, the steric hindrance caused by the substituent could regularly reduce the intensity of NIR absorption bands. Furthermore, the characteristic bands and group attribution of 29 natural chemical compounds from 4 types have been systematic assigned. These meaningful discoveries provide guidance for NIR spectral assignment from chemical structural property to natural chemical compounds.

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Section: Introductionmentioning

confidence: 99%

Systematic discovery about NIR spectral assignment from chemical structural property to natural chemical compounds

Peng

Pei

et al. 2019

Sci Rep

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“…Several previously conducted studies were comparatively analyzed to further assess the conclusions drawn in this investigation. For instance, Li et al utilized near-infrared spectroscopy in conjunction with PLSR to ascertain the total flavonoids and saponins contents in bottled Compound E Jiao oral liquid [10]. The optimal outcomes included RMSEP = 0.0844 and R 2 p = 0.9622 for total flavonoids, and RMSEP = 0.0139 and R 2 p = 0.9801 for saponins.…”

Section: Multiple Linear Regression At Selected Wavelengths Based On Spamentioning

confidence: 99%

“…For example, atractylenolide-1 is the most important bioactive ingredient in Rhizoma atractylodis macrocephalae, which can be well determined by NIRS coupled with partial least squares (PLS) algorithm [9]. Furthermore, the contents of polysaccharides, flavonoids, and alkaloids in several plant-based products have been successfully analyzed by NIRS [10][11][12].…”

Section: Introductionmentioning

confidence: 99%

A Novel Variable Selection Method Based on Ordered Predictors Selection and Successive Projections Algorithm for Predicting Gastrodin Content in Fresh Gastrodia elata Using Fourier Transform Near-Infrared Spectroscopy and Chemometrics

Wang,

Zuo,

Chen

et al. 2023

Foods

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Gastrodin is one of the most important biologically active components of Gastrodia elata, which has many health benefits as a dietary and health food supplement. However, gastrodin measurement traditionally relies on laboratory and sophisticated instruments. This research was aimed at developing a rapid and non-destructive method based on Fourier transform near infrared (FT-NIR) to predict gastrodin content in fresh Gastrodia elata. Auto-ordered predictors selection (autoOPS) and successive projections algorithm (SPA) were applied to select the most informative variables related to gastrodin content. Based on that, partial least squares regression (PLSR) and multiple linear regression (MLR) models were compared. The autoOPS-SPA-MLR model showed the best prediction performances, with the determination coefficient of prediction (Rp2), ratio performance deviation (RPD) and range error ratio (RER) values of 0.9712, 5.83 and 27.65, respectively. Consequently, these results indicated that FT-NIRS technique combined with chemometrics could be an efficient tool to rapidly quantify gastrodin in Gastrodia elata and thus facilitate quality control of Gastrodia elata.

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“…Near-infrared (NIR) spectroscopy has been ever increasingly accepted as a fast and green process analysis technology in chemical industry, agriculture, food, medicine, tobacco, and some other fields [18][19][20][21][22]. e frequency doubling of the stretching vibration of compounds X-H (X � C, O, N, etc.)…”

Section: Introductionmentioning

confidence: 99%

An Approach to Rapid Determination of Tween-80 for the Quality Control of Traditional Chinese Medicine Injection by Partial Least Squares Regression in Near-Infrared Spectral Modeling

Chen

Zhang³

et al. 2019

Journal of Spectroscopy

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This study established an approach to rapidly determine the Tween-80 in traditional Chinese medicine (TCM) injection by using near-infrared (NIR) spectroscopy. Totally 133 standard solutions of Tween-80 were prepared and randomly divided into calibration set and validation set, containing 109 and 24 samples, respectively. Spectral data were preprocessed and then subjected to establish a predictive model using partial least-squares (PLS). The standard error of cross validation (SECV), standard deviation of calibration (SEC), and the determination coefficient (R) of the established model were 0.0561, 0.0526, and 0.9986, respectively. The model was successfully applied to determine Tween-80 contents in 25 XBJ Injections and 40 FFSX Injections, and it produced satisfactory quantitative analysis results with average relative deviations 0.60% and 0.16%, respectively, for 25 XBJ Injections and 40 FFSX Injections, and the maximum relative deviations 8.57% and 7.60%, respectively. This work shows that NIR model displayed quite good predictive ability for Tween-80 quantitative analysis, which could potentially be applied to rapid determination of Tween-80 in the production process of TCM injections and other TCM products.

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A feasibility study on the non-invasive analysis of bottled Compound E Jiao oral liquid using near infrared spectroscopy

Cited by 14 publications

References 21 publications

Systematic discovery about NIR spectral assignment from chemical structural property to natural chemical compounds

Systematic discovery about NIR spectral assignment from chemical structural property to natural chemical compounds

A Novel Variable Selection Method Based on Ordered Predictors Selection and Successive Projections Algorithm for Predicting Gastrodin Content in Fresh Gastrodia elata Using Fourier Transform Near-Infrared Spectroscopy and Chemometrics

An Approach to Rapid Determination of Tween-80 for the Quality Control of Traditional Chinese Medicine Injection by Partial Least Squares Regression in Near-Infrared Spectral Modeling

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