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 InGaAs 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 r(cv)=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 calibration 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.
Anisotropy ; Prunus ; Spectroscopy, Near-Infrared ; methods

OBJECTIVETo develop a novel method to determine fastly and nondestructively the content of paeoniflorin, albiflorin and moisture in Radix Paeoniae Alba with near infrared diffuse reflection spectroscopy.

METHODMultivariate calibration models based on PLS algorithm were developed to correlate the spectra and the corresponding values determined by the reference method.

RESULTThe corelation coefficients (R2) of the calibration models were 0.938, 0.943 and 0.976, and the prediction average relative deviation for paeoniflorin, albiflorin and moisture content were 6.5%, 0.23% and 3.8%, respectively.

CONCLUSIONThe NIRS determination method is rapid, accurate, nondestructive and non-pollution. It can dispose the samples without complicated pretreatment. It is qualified to analyze rapidly traditional Chinese medicine whose components are complex. NIRS can be used to control the quality of herbal material of paeony formula granule.

OBJECTIVETo establish a new method using AOTF-Near infrared spectroscopy for fast identifying Fufang Danshen tablets.

METHODNear-infrared spectroscopy of Fufang Danshen tablets from different factories and different bacth numbers were collected and the discriminant analysis model (FFDS-C) was established with principal component analysis. This model was applied to predict the the different samples of Fufang Danshn tablets.

RESULTThe model can be used to precisely identify Fufang Danshen tablets from other samples.

CONCLUSIONThe method with low consumption is simple and quick and can be applied to the identification of the Fufang Danshen tablets.

OBJECTIVETo determine the total content of 10 ginsenosides in Yiqifumai lyophilized injection by near infrared spectroscopy.

METHODSixty samples were collected and determined of the total contents of ten ginsenosides by HPLC. The optimal calibration model was established by the contents of 10 ginsenosides in fifty samples and their NIR spectroscopy using the PLS. And the contents of 10 samples were successfully predicted.

RESULTWhen using the pretreatment of the first derivative and MSC in the range of 4 246.8 - 4 602.2, 5 446.8 - 61 02.6 cm(-1), the best dimension was 9, and the quantitative model was accurate. The R2 was 94.2, and the RMSECV was 0.186. The RMSEP of ten samples was 0.234.

CONCLUSIONThis method is easy, rapaid and precise, and can be used to determine the content of 10 ginsenosides in Yiqifumai lyophilized injection.

The near infrared (NIR) spectroscopy technique has been applied in many fields because of its advantages of simple preparation, fast response, and non-destructiveness. We investigated the potential of NIR spectroscopy in diffuse reflectance mode for determining the soluble solid content (SSC) and acidity (pH) of intact loquats. Two cultivars of loquats (Dahongpao and Jiajiaozhong) harvested from two orchards (Tangxi and Chun'an, Zhejiang, China) were used for the measurement of NIR spectra between 800 and 2500 nm. A total of 400 loquats (100 samples of each cultivar from each orchard) were used in this study. Relationships between NIR spectra and SSC and acidity of loquats were evaluated using partial least square (PLS) method. Spectra preprocessing options included the first and second derivatives, multiple scatter correction (MSC), and the standard normal variate (SNV). Three separate spectral windows identified as full NIR (800approximately2500 nm), short NIR (800approximately1100 nm), and long NIR (1100approximately2500 nm) were studied in factorial combination with the preprocessing options. The models gave relatively good predictions of the SSC of loquats, with root mean square error of prediction (RMSEP) values of 1.21, 1.00, 0.965, and 1.16 degrees Brix for Tangxi-Dahongpao, Tangxi-Jiajiaozhong, Chun'an-Dahongpao, and Chun'an-Jiajiaozhong, respectively. The acidity prediction was not satisfactory, with the RMSEP of 0.382, 0.194, 0.388, and 0.361 for the above four loquats, respectively. The results indicate that NIR diffuse reflectance spectroscopy can be used to predict the SSC and acidity of loquat fruit.
Eriobotrya ; chemistry ; Hydrogen-Ion Concentration ; Least-Squares Analysis ; Spectroscopy, Fourier Transform Infrared ; methods ; Spectroscopy, Near-Infrared ; methods

PURPOSE: The aim of this Fourier transform infrared (FTIR) spectroscopic study was to measure the degree of conversion (DC) of dual-cured resin cements light-irradiated through zirconia ceramic disks with different thicknesses using various light-curing methods. MATERIALS AND METHODS: Zirconia ceramic disks (KT12) with three different thicknesses (1.0, 2.0, and 4.0 mm) were prepared. The light transmittance of the disks was measured using ultraviolet visible near-infrared spectroscopy. Four different light-curing protocols were used by combining two curing light modes (Elipar TriLight (standard mode) and bluephase G2 (high power mode)) with light-exposure times of 40 and 120 seconds. The DCs of the two dual-cured resin cements (Duo-Link and Panavia F2.0) light-irradiated through the disks was analyzed at three time intervals (3, 7, and 10 minutes) by FTIR spectroscopy. The data was analyzed using repeated measures ANOVA (alpha=.05).Two-way ANOVA and Tukey post hoc test were used to analyze the 10 minute DC results. RESULTS: The 1.0 mm thick disk exhibited low light transmittance (<25%), and the transmittance decreased considerably with increasing disk thickness. All groups exhibited significantly higher 10 minute DC values than the 3 or 7 minute values (P<.05), but some exceptions were observed in Duo-Link. Two-way ANOVA revealed that the influence of the zirconia disk thickness on the 10 minute DC was dependent on the light-curing methods (P<.001). This finding was still valid even at 4.0 mm thickness, where substantial light attenuation took place. CONCLUSION: The curing of the dual-cured resin cements was affected significantly by the light-curing technique, even though the additional chemical polymerization mechanism worked effectively.
Ceramics* ; Fourier Analysis ; Methods ; Polymerization ; Polymers ; Resin Cements* ; Spectroscopy, Fourier Transform Infrared ; Spectroscopy, Near-Infrared ; Spectrum Analysis ; Zirconium

The on-line monitor for the changes in the content of baicalin in Scutellariae Radix formula particles during the extraction process was conducted by using near infrared spectroscopy (NIR). High performance liquid chromatography (HPLC) was used as a reference method. Kennard-Stone (KS) was used to divide sample sets, so as to compare different pretreatment methods. The synergy interval partial least squares (SiPLS) was used to screen out modeling wave band to establish partial least-squares models. The relative error method was applied to predict forecast set samples of Scutellariae Radix in three extraction phases. The results showed that the model established by Savitzky-Golay smoothing with 11 points (SG11 points) was the best, with the root mean square with cross validation (RMSECV), root mean square error of correction (RMSEC) and root mean square error of prediction (RMSEP) of baicalin of 0.092 7, 0.134 4 and 0.114 8, respectively, the determination coefficient R2 of greater than 0.99, and the relative error of baicalin content of less than 5%. This indicates that the on-line near infrared reflectance spectroscopy could be applied in on-line monitor and quality control of the extraction process of Scutellariae Radix formula particles.
Automation ; methods ; Drugs, Chinese Herbal ; chemistry ; standards ; Quality Control ; Scutellaria baicalensis ; chemistry ; Spectroscopy, Near-Infrared ; methods

The characteristics of On-line Near Infrared Spectroscopy Technology are introduced and its applications in various industries, such as petro-chemical, pharmaceutical, agriculture and food are reviewed. Considering the features in TCM manufacturing, the application potentials of On-line Near Infrared Spectroscopy Technology in Manufacturing TCM are forecasted and the key problems to be solved are discussed.
Drugs, Chinese Herbal ; analysis ; Plants, Medicinal ; chemistry ; Quality Control ; Spectroscopy, Near-Infrared ; methods ; Technology, Pharmaceutical ; methods

To study the identification of Gentianaceae Mongolian medicine Digeda with spectroscopy techniques, near infrared spectroscopy and differential scanning calorimetry techniques were applied to study on the identification of 4 kinds of Gentianaceae Mongolian medicine Digeda, and characteristic spectrums obtained were systematically analyzed. In NIR study, the four species of Digeda exist some differences in 4 250-4 400 cm(-1) and 5 650-5 800 cm(-1) of one-dimensional spectra, and show significant differences in 4 100- 4 400 cm(-1), 4 401-4 900 cm(-1) and 5 400-5 800 cm(-1) of the second derivative spectra. DSC curves of them present distinct topological pattern, characteristic peak and peak temperature. Using near infrared spectroscopy and differential scanning calorimetry analysis can realize efficient and accurate identification of four kinds of Mongolian medicine Digeda, and provide scientific basis for the efficient and accurate identification of other Gentianaceae Mongolian medicine Digeda.
Calorimetry, Differential Scanning ; methods ; China ; Gentianaceae ; chemistry ; classification ; Medicine, Mongolian Traditional ; Spectroscopy, Near-Infrared ; methods

OBJECTIVETo establish a near-infrared spectroscopy quantitative model for rapid determination of the patchouli alcohol content in Pogostemon cablin.

METHODThe gas chromatography was adopted for determining the content of patchouli alcohol content in 102 batches of P. cablin samples. Their near-infrared spectrograms were collected and preprocessed by standard normal variate and the first derivative of Savitsky-Golay. The quantitative model of patchouli alcohol content was established by the partial least squares regression analysis.

RESULTAccording to the correction model established in this study, the root-mean-square error of calibration, the root-mean-square error of prediction and the root-mean-square error of cross-validation of the calibration model for Patchouli alcohol were 0.991 10, 0.012 9, 0.012 8 and 0.033 15, respectively.

CONCLUSIONThe near-infrared spectroscopy quantitative model established in this study is stable, accurate and reliable for the rapid determination of the content of patchouli alcohol in P. cablin.