Common and variation peak rates were calculated as dual-index for drug samples based on the infrared spectrogram of Angelicae Pubescentis Radix samples from different places. The results indicated that the common peak rates of 4 samples from Sichuan province, 2 samples from Gansu province, and 2 samples from Hubei province were higher than 73% , 79. 5% and 76. 3%, respectively. Also, the variation peak rates of 2 samples from Gansu province were lower than 12. 9%. Therefore, there is similar germplasm resources and similar chemical composition in the samples originated from the same place. However, for the samples originated from different places, their germplasm resources and chemical composition maybe have been changed. Fourier transform infrared spectrometry could be used to evaluate the rule of the fingerprint and overview of Angelicae Pubescentis Radix originated from different places by its changes of germplasm resources and chemical composition.
Apiaceae ; chemistry ; Medicine, Chinese Traditional ; Spectroscopy, Fourier Transform Infrared ; methods

Carbon Monoxide ; analysis ; Spectroscopy, Fourier Transform 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

OBJECTIVE: To observe the chemical groups changing in rat kidney with regard to fatal hyperthermia by Fourier transform infrared microspectroscopy (FTIR-MSP) and to provide a new method to diagnose fatal hyperthermia. METHODS: Rats were sacrificed by hyperthermia, brainstem injury, massive hemorrhage and asphyxiation and divided into groups. The renal samples were dissected immediately after death. The data of infrared spectroscopy in glomerulus were measured by FTIR-MSP. RESULTS: The absorbances of 3290, 3070, 2850, 1540 and 1396 cm(-1) significantly increased (P < 0.05), and the ratios of Al650/A3290 and A1650/A1540 significantly decreased (P < 0.05) in group of hyperthermia. CONCLUSION FTIR-MSP can analyze the changes of chemical groups of kidney as an auxiliary diagnosis for discriminating hyperthermia with other causes of death.
Animals ; Fever/mortality* ; Fourier Analysis ; Kidney/metabolism* ; Microspectrophotometry ; Rats ; Spectroscopy, Fourier Transform Infrared/methods*

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

To improve the quality control methods of Poria and develop and utilize its resources fully, alkaline extraction was used in this study to determine the yield and content of alkali-soluble polysaccharides of Poria. The alkali-soluble extracts of Poria were obtained according to the optimum extraction conditions on the basis of single-factor test, and 30 batches of samples were determined. The structure and chemical composition of the alkali-soluble extracts was characterized by high-performance gel permeation chromatography(HPGPC), Fourier transform infrared spectrometry(FT-IR), nuclear magnetic resonance(NMR) spectroscopy and high-performance liquid chromatography(HPLC) with 1-phenyl-3-methyl-5-pyrazolone(PMP-HPLC). The results showed that the content of the alkali-soluble extracts was in the range of 46.98%-73.86%. The main component was β-(1→3)-glucan, and its molecular mass was about 1.093×10~5. Further, the content of alkali-soluble polysaccharides of Poria was measured by UV-Vis spectrophotometry and HPLC coupled with the evaporative light scattering detector(HPLC-ELSD), and 30 batches of samples were measured. The results indicated that the content of alkali-soluble polysaccharides determined by UV-Vis spectrophotometry was in the range of 73.70%-92.57%, and the content of samples from Hubei province was slightly higher than that from Yunnan province, Anhui province and Hunan province. The content of alkali-soluble polysaccharides determined by HPLC-ELSD was in the range of 51.42%-76.69%, and the samples from Hunan province had slightly higher content than that from the other three provinces. The content determined by UV-Vis spectrophotometry was higher than that by HPLC-ELSD. However, the content determined by HPLC-ELSD was close to that of alkali-soluble extract, which could accurately characterize the content of alkali-soluble polysaccharides in Poria, and the method was simple and repeatable. Therefore, it is recommended that the quantitative analysis method for alkali-soluble extract and alkali-soluble polysaccharides by HPLC-ELSD be used in the quality standards of Poria in Chinese Pharmacopeia.
Poria/chemistry* ; Spectroscopy, Fourier Transform Infrared ; China ; Polysaccharides/chemistry* ; Reference Standards ; Chromatography, High Pressure Liquid/methods*

OBJECTIVES: To analyse the Fourier transform infrared （FTIR） spectral data of renal tissue at different temperatures in rats after death, and to explore the effects of temperature on the FTIR spectral characteristics of renal tissue. METHODS: The rats were sacrificed by cervical dislocation and placed at 4 ℃, 20 ℃ and 30 ℃. The FTIR spectral data of renal tissue were collected at different time points and analysed by data mining method. RESULTS: The principal component analysis （PCA） results showed that there were significant trends of clustering in the samples of partial time point at 4 ℃, 20 ℃ and 30 ℃. Partial least square （PLS） regression models were established with the spectral data at three temperature groups. The performance of PLS regression models in 20 ℃ and 30 ℃ groups were more superior than that in 4 ℃ group, and the stability of the model in 20 ℃ group was better than that in 30 ℃ group. CONCLUSIONS There are differences in the FTIR spectral characteristics of renal tissue of rats after death at different temperatures. Temperature has a major impact on the performance of FTIR spectral PLS regression model. Therefore, in order to improve the accuracy of postmortem interval estimation, the effects of temperature on the model should be considered in the related study by spectral method.
Animals ; Autopsy ; Death ; Postmortem Changes ; Rats ; Spectroscopy, Fourier Transform Infrared/methods* ; Temperature

The effects of pretreatment of supercritical carbon dioxide (SC-CO2) on the supramolecular structure of cellulose and the cellulase catalyzed reaction were investigated. The cellulase activity was not affected when it was treated with SC-CO2 at 10MPa and at 50 degrees C for 30 min. But when the cellulase was treated by SC-CO2 in the presence of cellulose, the catalytic activity of the cellulase was lost. The cellulose pretreated with or without cellulase under the same SC-CO2 condition was then hydrolyzed with tresh crude cellulase. The final reducing sugar yield from the hydrolysis of the cellulose pretreated with cellulase was higher than that of the cellulose pretreated without cellulase. It was also found that the improvement of the enzymolysis had a direct relevance with the amount of cellulase used during the SC-CO2 pretreatment. The moisture content of cellulose before SC-CO2 pretreatment had an obvious influence on the subsequent enzymolysis. When the moisture content of cellulose was 60% (W/W), the reducing sugar yield was higher than when the moisture content was over 100% (W/W). The FT-IR spectra showed that the structure of the cellulose pretreated with cellulase under the SC-CO2 condition was different from that of the cellulose pretreated without cellulase. In the presence of the enzyme, the strength of the hydrogen bonds and the I beta phase at 710cm(-1) in the crystalline cellulose was weakened. These results suggest that the change in the cellulose structure induced by the SC-CO2 treatment favous the subsequent enzymolysis.
Carbon Dioxide ; chemistry ; Cellulase ; chemistry ; metabolism ; Chromatography, Supercritical Fluid ; methods ; Spectroscopy, Fourier Transform Infrared

OBJECTIVETo develop a quick identification method for the sun-dried and sulfur-fumigated Angelicae Sinensis Radix used by Fourier transform infrared spectroscopy (FTIR) combined with second derivative infrared spectroscopy.

METHODThe alcoholic and aqueous extracts of sun-dried and sulfur-fumigated Angelicae Sinensis Radix were analyzed by using FTIR, the further analysis was used by second derivative infrared spectroscopy.

RESULTThere existed differences between their infrared spectra either extracted by ethanol or water, while the distinctions were more obvious after analyzing their alcoholic and aqueous extracts through high resolution of second derivative infrared spectroscopy. Infrared spectra showed that the absorption peaks of Angelicae Sinensis Radix were significantly reduced and a new absorption peak appeared after sulfur-fumigated process in alcoholic extracts, while both of them changed markedly in the "fingerprint region" ranging from 1 000 to 400 cm(-1) in aqueous extracts. Second derivative spectra showed that the absorption peaks of sulfur-fumigated Angelicae Sinensis Radix extracted by ethanol weakened and disappeared at about 3 578 cm(-1) and 3 541 cm(-1), while both of them differed significantly from each other ranging from 1 400 to 1 200 cm(-1) as well as 800 cm(-1) to 600 cm(-1), difference also existed between them extracted by water ranging from about 3 900 to 3 850 cm(-1) and 3 800 to 3 750 cm(-1).

CONCLUSIONThe FTIS method combined with second derivative can be utilized to distinguish sun-dried and sulfur-fumigated Angelicae Sinensis Radix efficiently, conveniently and accurately, and provide a basis for identification and quality control of Angelicae Sinensis Radix.

The concentration of glucose in the blood may soon be measured noninvasively by near infrared multi-wavelength sensor array without the painful puncture for obtaining a drop of blood. For overcoming the limitation of low measuring accurate degree and unstable working state, according to the Lambert-Beer Law, the authors analyzed the feature of blood adsorption spectroscopy and designed an infrared multi-wavelength blood glucose measuring sensor array to surmount the difficulties in noninvasive blood glucose measurement. The key technique, most suitable for detecting site and the influencing factors from human body were discussed, and the Mixture of Expert(ME) algorithm was adopted in building calibration model with multiple parameters of human body. It can overcome the existing problems and get more exact blood glucose information from the weak changes in spectral signals. Also presented and addressed in this paper are the detailed implementing steps of ME and the system, as well as the problems need to be solved.
Algorithms ; Blood Glucose ; analysis ; Equipment Design ; Humans ; Spectroscopy, Fourier Transform Infrared ; instrumentation ; methods