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Objective: To investigate the differences and applicability of free silica detection methods of different crystal forms in dust, and to provide a basis for the selection of various methods. Methods: From December 2021 to June 2022, dust samples from 20 enterprises in different industries in 18 cities in Henan Province were randomly selected as the investigation objects. X-ray diffraction (XRD) method was used to analyze the samples and classify the samples. Based on GBZ/T 192.4-2007 "Determination of Dust in the Air of Workplace-Part 4: Content of Free Silica in Dust", pyrophosphate method and infrared spectrophotometry were used for quantitative determination. The measured results were analyzed by paired sample t test to evaluate the advantages and disadvantages of the two methods and their applicable scope. Results: The XRD results of 20 dust samples could be divided into α, β, γ crystal types and the mixed type of α and γ. There was no significant difference between pyrophosphate method and infrared spectrophotometry ( P =0.180). The pyrophosphate method results of β, γ and α, γ mixed crystalline free silica were significantly higher than those of infrared spectrophotometry, and the difference was statistically significant ( P <0.001) . Conclusion: Pyrophosphate method and infrared spectrophotometry are suitable for α-type free silica, while pyrophosphate method is suitable for β, γ and α, γ mixed crystalline free silica.

Mesona chinensis is a common medicinal and edible plant in the Lingnan region of China, which has extensive pharmacological activity. However, the study of its chemical constituents is not sufficient. In this study, a variety of modern chromatographic separation techniques were used to isolate two compounds from 95% ethanol extract of the grass parts of M. chinensis. Their absolute configurations were determined by ultraviolet spectroscopy(UV), infrared spectroscopy(IR), high resolution mass spectrometry(HR-ESI-MS), 1D and 2D nuclear magnetic resonance(1D NMR and 2D NMR), and single-crystal X-ray diffraction(SC-XRD). Specifically, they were two new benzoyl-sesquiterpenes and named mesonanol A and mesonanol B, respectively. The results of the pharmacological activity evaluation showed that neither of the two new compounds showed obvious antiviral and anti-inflammatory activities.

In this study, the crude polysaccharides was extracted from Shengfupian and purified by Sevag deproteinization. Then, the purified neutral polysaccharide fragment was obtained by the DEAE-52 cellulose chromatography column and Sephadex G-100 co-lumn. The structure of polysaccharides was characterized by ultraviolet spectroscopy, infrared spectroscopy, ion chromatography, and gel permeation chromatography. To investigate the anti-inflammatory activity of Shengfupian polysaccharides, LPS was used to induce inflammation in RAW264.7 cells. The expression of the CD86 antibody on surface of M1 cells, the function of macrophages, and the content of NO and IL-6 in the supernatant were examined. An immunodepression model of H22 tumor-bearing mice was established, and the immunomodulatory activity of Shengfupian polysaccharides was evaluated based on the tumor inhibition rate, immune organ index and function, and serum cytokine levels. Research indicated that Shengfupian polysaccharides(80 251 Da) was composed of arabinose, galactose, glucose, and fructose with molar ratio of 0.004∶0.018∶0.913∶0.065. It was smooth and lumpy under the scanning electron microscope. In the concentration range of 25-200 μg·mL~(-1), Shengfupian polysaccharides exhibited little or no toxicity to RAW264.7 cells and could inhibit the polarization of cells to the M1 type and reduce the content of NO and IL-6 in the cell supernatant. It could suppress the phagocytosis of cells at the concentration of 25 μg·mL~(-1), while enhancing the phagocytosis of RAW264.7 cells within the concentration range of 100-200 μg·mL~(-1). The 200 mg·kg~(-1) Shengfupian polysaccharides could alleviate the spleen injury caused by cyclophosphamide, increase the levels of IL-1β and IL-6, and decrease the level of TNF-α in the serum of mice. In conclusion, Shengfupian polysaccharides has anti-inflammatory effect and weak immunomodulatory effect, which may the material basis of Aconm Lateralis Radix Praeparaia for dispelling cold and relieving pain.

Epimedii Folium is a well-known Chinese herbal medicine with the effect of nourishing kidney and strengthening Yang. Its main active ingredients are flavonoids. In this study, 60 samples of Epimedium sagittatum were collected for the determination of total flavonoids(TF) including the total amount of epimedin A, epimedin B, epimedin C, and icariin(abbreviated as ABCI) specified in the Chinese Pharmacopoeia as well as rhamnosylicariside Ⅱ and icariside Ⅱ. The calibration parameters of &quot;first derivativemultiva-riate scattering correction in 1 900-650 cm~(-1) band(4-point smoothing)&quot; and &quot;first derivativestandard normal variable correction in 4 000-650 cm~(-1) full band(4-point smoothing)&quot; were confirmed respectively. The quantitative model was established via Fourier infrared spectroscopy plus attenuated total reflection(FTIR-ATR) accessory combined with partial least squares(PLS) method and then used to predict the flavonoid content of 11 validation sets. The average prediction accuracy for ABCI in calibration set and validation set was 98.985% and 96.087%, respectively. The average prediction accuracy for TF in calibration set and validation set was 98.998% and 94.771%, respectively. These results indicated that FTIR-ATR combined with PLS model could be used for rapid prediction of flavonoid content in E. sagittatum, with the prediction accuracy above 94.7%. The establishment of this method provides a new solution for the detection of a large number of E. sagittatum samples.

Objective: To discuss the difference between pyrophosphoric acid method and infrared spectrophotometry for the determination of silica content in dust. Methods: The content of silica in the laboratory comparison samples organized by CDC Occupational Health Institute in China in 2018, and purchased quality control samples were determined by pyrophosphate method. Meanwhile, the samples were qualitatively and quantitatively analyzed by infrared spectrophotometry, and the results obtained by the two methods were compared. Results: Four samples (062C1、062C2、GDOHZKTG012-1、GDOHZKTG012-2) were detected by pyrophosphate method and infrared spectrophotometry. The results of pyrophosphate method were 55.49%, 5.24%, 4.90% and 54.72%, respectively. The results of infrared spectrophotometry were 0.91%, 1.87%, 1.29% and 1.16% respectively. Conclusion: The content of silica in dust determined by pyrophosphate method is higher than that by infrared spectrophotometry.

Objective: To analyze types of urinary calculi and patients' clinical characteristics, and to explore the strategies for prevention and treatment of urinary calculi.
 Methods: A total of 1 849 patients with urinary calculi were treated in the Department of Urology, the Third Xiangya Hospital of Central South University. The components were analyzed by infrared spectroscopy. The relationship between stone composition and clinical parameters was analyzed according to the clinical characteristics of the patients.
 Results: The proportion of calcium oxalate stone or uric acid stone in male (84.1% or 7.7%) was higher than that in female (78.4% or 4.2%). The older patients were more likely to be diagnosed as uric acid stone. The proportions of uric acid stone in patients <18 years old, 18-<41 years old, 41-<66 years old, and ≥66 years old were 0.0%, 1.6%, 6.6%, and 12.4%, respectively. There was no significant difference in the proportion of stones in patients with different BMI. There were no significant difference in the stone composition between the patients with or without urinary tract infection, hypertension or diabetes. The proportion of uric acid stones in patients with acidic urine was higher than the other types. The proportion of uric acid stones in patients with elevated creatinine (12.1%) was higher than that in the patients with normal creatinine (4.5%).
 Conclusion: Elderly patients, or patients with high uric acid and renal insufficiency are more prone to uric acid stones. Regulation of urinary pH may be an important strategy for preventing and treating urinary calculi in Hunan Province.

Polyphyllin is the main active constituent in Paris which was a traditional Chinese medicine. In order to evaluate the quality of Paris rapidly and ensure the efficacy in clinical therapy, we quantified the contents of polyphyllin Ⅰ, polyphyllin Ⅱ and polyphyllin Ⅶ using infrared spectroscopy with partial least squares regression(PLSR). The method for evaluating the quality of Paris was established. Infrared spectra of 78 samples from various species in different origins were collected. The contents of polyphyllin Ⅰ, Ⅱ and Ⅶ were determined by high performance liquid chromatography(HPLC). The HPLC data were combined with the spectral data to predict the contents of three polyphyllin rapidly. Multiplicative signal correction(MSC), standard normal variate(SNV), orthogonal signal correction(OSC), first derivative and second derivative were utilized for the spectral preprocessing. Then, the optimized spectral data were used to establish the quantitative prediction model based on PLSR. The results showed that the best spectral pretreatment of polyphyllin Ⅰ and Ⅱ were MSC+OSC+2nd Der and that of polyphyllin Ⅶ was MSC+SNV+OSC+2nd Der. In the quantitative calibration model, the determination coefficients (R²) of polyphyllin Ⅰ, polyphyllin Ⅱ and polyphyllin Ⅶ were 0.930 8, 0.934 8 and 0.912 3, respectively while the Root mean square error of estimation(RMSEE) were 1.855 0, 0.632 3 and 0.001 6 mg•g⁻¹, respectively. In the verification model, the R² of polyphyllin Ⅰ, polyphyllin Ⅱ and polyphyllin Ⅶ were 0.948 8, 0.703 6 and 0.801 7, respectively, and the root mean square error of prediction(RMSEP)were 1.704 6, 1.227 8 and 0.002 0 mg•g⁻¹, respectively. Because of the predictive value of quantitative model was closed to the real value, the effect of the model was good. The model of polyphyllin Ⅰ and Ⅱ were better than that of polyphyllin Ⅶ. The developed method was non-destructive, fast, and accurate. It was feasible to determine the content of polyphyllin in Paris., Competing Interests: The authors of this article and the planning committee members and staff have no relevant financial relationships with commercial interests to disclose., (Copyright© by the Chinese Pharmaceutical Association.)

Transgenic technology has enormous significance in increasing food production, protecting biodiversity and reducing the use of chemical pesticides and so on. However, there may be some security risks; therefore, research on genetically modified crop identification technology is attracting more and more attention. Mid-infrared spectroscopy combined with feature extraction methods were used to investigate the feasibility of identifying different kinds of transgenic soybeans in the wavelength range of 3 818～734 cm-1. For this purpose, partial least squares-discriminant analysis (PLS-DA) was employed as pattern recognition methods to classify three non-GMO parent soybeans(HC6, JACK and W82)and their transgenic soybeans. The results of the calibration set were 96.67%, 96.67% and 83.33% for three non-GMO parent soybeans and their transgenic soybeans, and the results of the prediction set were 83.33%, 85% and 85%. X-loading weights, variable importance in the projection (VIP) algorithm and second derivative (2-Der) algorithm were applied to select sensitive wavenumbers. The sensitive wavelengths selected with x-loading weights were used to build PLS-DA model, the classification accuracy of the calibration set were 91.11%, 91.67% and 81.67%, and the results of the prediction set were 80%, 80% and 75%. By using the VIP algorithm, the classification accuracy of the calibration set were 94.44%, 95% and 76.67%, and the results of the prediction set were 80%, 85% and 75%. By using the 2-Der algorithm, the classification accuracy of the calibration set were 88.89%, 81.67% and 80%, and the results of the prediction set were 76.67%, 75% and 75%. Principal components analysis (PCA) and independent component analysis (ICA) were applied to extract feature information. The principal components were combined with PLS-DA model. The classification accuracy of the calibration set were 96.67%, 90% and 80%, and the results of the prediction set were 80%, 90% and 80%. The independent components were combined with PLS-DA model. The classification accuracy of the calibration set were 93.33%, 83.33% and 83.33% while the results of the prediction set were 83.33%, 75% and 75%. The overall results indicated that mid-infrared spectroscopy could accurately identify the varieties of the non-GMO parent soybeans, which provided a new idea for nondestructive testing of transgenic soybeans. Feature extraction methods could be used to build more concise models and reduce the amount of program operations combined with sensitive wavenumbers selection methods.

Nano-IR technology was firstly employed on bamboo fiber research with purpose to further understand the fine structure of bamboo fiber cell wall. Chemical constituent distribution of bamboo fiber was studied, and the feasibility of the novel technology was discussed by comparing with other traditional methods. The results showed that Nano-IR technology, which has made a breakthrough on diffraction limit of traditional infrared spectroscopy, can acquire nano-scale infrared spectrum of bamboo cell wall in situ condition. The characteristic peak positions of Nano-IR spectrum is basically the same with that of microscopic FTIR spectrum, indicating that Nano-IR spectrum can reveal the chemical information of bamboo cell wall. The results of the present work suggested that nano-IR technology could be an effective research tool in research of nano chemical composition distribution of bamboo cell wall.

Diabetes is a kind of diseases which does harm to people’s health, and the detection of human blood glucose levels utilizing blood samples will result in pain even infection for patients. Thus the in-vivo noninvasive measurement of human blood glucose levels has vital value in clinical diagnosis, detection and therapy, and it also is a very hot research topic with challenging. At present, as to various noninvasive detection methods, the technology based on mid-infrared absorption spectrophotometry with ATR has been gaining increasing attention. However, when carrying out noninvasive measurement of human blood glucose levels by means of the spectrophotometry equipped with routine light sources, the penetration depth of probe light in human tissues is low and thus it is very difficult to reach the stromal layer containing body fluids and especially dermis layer containing blood for probe light, which resulting in low relativity between experimental data and real human blood glucose levels and thus limiting the clinical application. Generally, not only the mid-infrared laser with high strength and high purity can deeper penetrate the human tissues, but also the output wavelengths at 1 035 cm(-1) of CO2 laser very coincide with the fundamental frequency characteristic absorption at 1 029 cm(-1) of glucose. Thus, in this work, a novel noninvasive mid-infrared measurement system to detect human blood glucose levels has been successfully assembled, in which a CO2 laser was used a self-defined external light source of the new mid-infrared absorption spectrophotometry with ATR. In this system, the absorbance of human fingertip at 1 035 cm(-1) has been measured when external CO2 laser source was used as probe light, at the same time, the mid-infrared absorption spectra of fingertip have been also obtained and absorbance at 1 492 cm(-1) has been recorded. The human blood glucose levels were determined synchronously by means of the routine medical method. The experimental results showed that the ratio in fingertip between absorbance at 1 035 cm(-1) from the laser source and one at 1 492 cm(-1) from mid-infrared absorption spectrophotometry could synchronously change with the human blood glucose levels, and the ratio presents certain positive relativity with the real human blood glucose levels(R=0. 812 5). Thus the measurement data could be used as a new index of blood glucose level in human body, which showed the potential in clinical diagnosis of the ATR mid-infrared absorption spectrophotometry with external CO(2) laser source in noninvasive measurement of human blood glucose levels.

Safety issues of animal derived food have been emerging one after another, and the using of the illegal addictives and abuse of high-risk chemicals bred for livestock have been increasingly serious from melamine, lean meat powder, Sudan Red, plasticizing agent, waste oils to leather milk. How to determine these chemicals faces severe challenges. Infrared spectroscopy is the same powerful for material structures as nuclear magnetic resonance spectroscopy, mass spectrometry and ultraviolet spectrum. There are few researches about quality and safety of livestocks products. In this article, some researches in analyzing structures has been reviewed, including studies of spectral features, molecular conformation, stability, homologous series, derivative and reaction products, inferring functional groups of macromolecular compounds and molecular structural formula and distinguishing complex biological samples. Forming the new thought screening contaminants maybe used for animals is expected to early warning addictives causing serious food safety problems that is to build the comprehensive analysis methods for these matters on the basis of creating spectrum or functional groups databases designed for animal products.

In this paper, 9 most abundant PBDE congeners in environment and 14 congeners with high/medium biological toxicity were selected as target compounds. Firstly, IR spectra of 23 compounds were divided into 6 spectrum regions based on known vibrational assignment, and their identification abilities for PBDEs were evaluated by using similarity analysis. Then, the spectrum regions with high identification ability relatively have been analyzed to search identification method on the basis of each spectrum characteristic. At last, the principal component analysis and discriminant analysis method were used to extract characteristic spectrum information of congeners with high/medium biological toxicity and establish biological toxicity discriminant model. The triangle breathing vibration region (961～1 153 cm-1) and C—O stretching vibration region (1 153～1 346 cm-1) has been filtered as characteristic IR spectrum regions because of smaller similarity among PBDEs relatively. For the former, the information of vibration peaks distribution can be taken as tool to identification, with the smallest frequency difference of 3.19 cm-1 among 23 congeners and bad ability to distinguish PBDEs from dioxin-similar compounds. For the later, the frequency and shape of main peak is as mark and the smallest frequency difference among PBDEs and between PBDEs with dioxin-similar compounds are 0.74 and 0.67 cm-1 separately, both larger than the common minimum resolution of IR spectrum 0.5 cm-1, depicting good ability for both inner and outer identification of PBDEs. The established biological toxicity discriminant model via discriminant analysis also have shown well ability to biological toxicity prediction, with accuracy of 100% and 88.9% for high/medium and low biological toxicity relatively, representing the extracted IR spectrum information from congeners with high/medium toxicity can realize the accurate classification of biological toxicity for PBDEs.

Armand clematis stem (Clematidis Armandii Caulis, Chuanmutong) is a widely used Chinese herb to disinhibit urine and relieve stranguria. It is difficult to be identified owing to its various macroscopic feature and unknown characteristic compounds. Thus, total of 24 Chuanmutong samples and 7 related herbs including four manshurian aristolochia stem (Aristolochiae Manshuriensis Caulis, Guanmutong) and three akebia stem (Akebiae Caulis, Mutong) samples were collected and analyzed in the range of 4 000 - 400 cm⁻¹ by Fourier Transform Infrared (FTIR) and two-dimensional infrared correlation spectroscopy (2D-FTIR) techniques. The FTIR spectra of 24 Chuanmutong samples are consistent in the spectrum profiles, position and intensity of characteristic peaks. 20 of the 24 Chuanmutong samples were randomly selected as calibration samples to calculate and simulate mean spectrum. This mean spectrum is named as FTIR fingerprint of Chuanmutong with characteristic peaks at 3 412, 2 932, 1 739, 1 639, 1 509, 1 456, 1 426, 1 376, 1 332, 1 261, 1 159, 1 035, 897 ,609 cm⁻¹. Meanwhile, the limited level (Mean-3σ=0.992 6) to identify true or false Chuanmutong by correlation coefficient of FTIR spectra was calculated based on the 20 Chuanmutong calibration samples. Then, the rest 4 Chuanmutong, 4 Guanmutong and 3 Mutong samples were used as validation samples to evaluate the identification efficacy. The result shows that the FTIR spectra of 4 Chuanmutong validation samples were similar to the fingerprint. Their correlation coefficients of FTIR spectra were over the limited level and accepted as Chuanmutong. However, the spectra of Guanmutong and Mutong were significantly different from Chuanmutong fingerprint. The correlation coefficients of Guanmutong (0.902 1-0.940 4, n=4) and Mutong (0.954 9-0.978 9, n=3) FTIR spectra were less than the limited level and rejected from Chuanmutong. Furthermore, the number, position and intensity of auto-peaks on the 2D-FTIR were drastically different among the three herbs. It is concluded that the developed FTIR fingerprinting can be rapidly and accurately identify Chuanmutong and differentiate from related herbs., Competing Interests: The authors of this article and the planning committee members and staff have no relevant financial relationships with commercial interests to disclose., (Copyright© by the Chinese Pharmaceutical Association.)

The application of traditional Chinese medicine (TCM) and their preparations have a long history. With the deepening of the research, the market demand is increasing. However, wild resources are so limited that it can not meet the needs of the market. The development of wild and cultivated samples and research on accumulation dynamics of chemical component are of great significance. In order to compare composition difference of different parts (root, stem, and leaf) of wild and cultivated G. rigescens, Fourier infrared spectroscopy (FTIR) and second derivative spectra were used to analyze and evaluate. The second derivative spectra of 60 samples and the rate of affinity (the match values) were measured automatically using the appropriate software (Omnic 8.0). The results showed that the various parts of wild and cultivated G. rigescens. were high similar the peaks at 1732, 1 643, 1 613, 1 510, 1 417, 1 366, 1 322, 1 070 cm(-1) were the characteristic peak of esters, terpenoids and saccharides, respectively. Moreover, the shape and peak intensity were more distinct in the second derivative spectrum of samples. In the second derivative spectrum range of 1 800-600 cm(-1), the fingerprint characteristic peak of samples and gentiopicroside standards were 1 679, 1 613, 1 466, 1 272, 1 204, 1 103, 1 074, 985, 935 cm(-1). The characteristic peak intensity of gentiopicroside of roots of wild and cultivated samples at 1 613 cm(-1) (C-C) was higher than stems and leaves which indicated the higher content of gentiopicroside in root than in stem and leaves. Stems of wild samples at 1 521, 1 462 and 1 452 cm(-1) are the skeletal vibration peak of benzene ring of lignin, and the stem of cultivated sample have stronger peak than other samples which showed that rich lignin in stems. The iInfrared spectrum of samples were similar with the average spectral of root of wild samples, and significant difference was found for the correlation between second derivative spectrum of samples and average spectral of wild samples root, and the sequence of similarity was root > stem > leaf. Therefore, FTIR combined with second derivative spectra was an express and comprehensive approach to analyze and evaluate in the imperceptible differences among different parts of wild and cultivated of G. rigescens.

To investigate the Terahertz's application prospect, corn, wheat husk and reed were used to detect their Terahertz Time Domain Spectroscopy, and be compared with that of cellulose powder. The experimental results show that all of their absorption peaks exist at 1.75, 1.62, 1.1, and 0.7 THz. Absorption intensity of cellulose powder, corn, wheat husk and reed were compared in some frequencies points. It finds that corn, wheat husk and reed have higher absorption intensity than cellulose powder in early frequency domain. However, absorption intensity of cellulose powder is the strongest at 1.62 THz. Cellulose content in corn, wheat husk and reed were detected by using the method of chemical analysis. The peaks of absorption coefficient are related to their cellulose content at this frequency. It shows that plant cellulose occur lattice vibration in the frequency. Deformation, bending, flexing, and other changes appear to their functional keys. Quantum chemical calculation was carried out by using density functional theory to cellulose and the structure diagram of cellulose molecular formula was obtained. It also finds some absorption peaks exist at 0.7, 1.1, and 1.75 THz. Characterization of cellulose clusters mainly includes CH2, OH, CH, and so on. Glucose hydroxyl radical on the ring is active in the cellulose chain. Where hydroxyl related chemical reaction can occur, Hydroxyl can also be integrated into the intermolecular and intramolecular hydrogen bond. Terahertz wave can promote hydrogen bond vibration. This kind of vibration is weak in the intermolecular interaction. The vibration and rotating happen in dipole transition. The crystal lattice rotates and is absorptive in low frequency, and large molecular skeleton vibrates. All of them can show different intensity and position of the absorption peak in the terahertz band. Corn and cellulose were analyzed by infrared spectrum. The reverse and vibration mode of cellulose was discussed. The absorption peak is basically in line with its theoretical calculating result. It is feasible that Terahertz Time Domain Spectroscopy can detect cellulose, and it provides a new method for the detection and judgement of cellulose in plants.

Infrared spectroscopy is an important source of information for the identification of the compounds structure and it is great significant for biological activity research of natural and organic drug molecules. With the theoretical calculation method is more reasonable and calculation accuracy continues to improve, Theoretical calculate advantage is more obvious in the infrared spectrum simulation and vibration modes attributable identified. And it has important reference value for experimental study of infrared spectral analysis. Using density functional theory, geometry optimizations and frequencies calculation of 7-Hydroxycoumarin were performed at the level of B3LYP/6-311G(d, p), the stable structure and all vibration modes of 7-Hydroxycoumarin were attained. The results show that the infrared absorption peak of 7-hydroxycoumarin is mainly distributed in the several regions in wave number of 3 700-3 500, 3 150-3 000, 1 750-1 400, 1 400-1 000, 1 000-50 cm(-1). In addition to the vibration in a wave number range of 3 700-3 500, 3 150-3 000 cm(-1) is relatively independent, and were attributed to OH stretching vibration and benzene ring CH stretching vibration, the other several vibration regions are more complex, the different degree of spectral peaks is composed of multiple vibration modes. Finally, based on the theoretical analysis of the vibration mode, the vibration modes of 7-Hydroxycoumarin molecule were assigned, and in order to discuss the reliability of theoretical calculation method, the correlation diagram of the main absorption peak of 7-hydroxyl group was drawn from the theoretical value of X axis and the experimental value of Y axis, the correlation between experimental IR data and calculated IR data of 7-Hydroxycoumarin was analyzed through the linear regression method. Results show that they have good correlation, correlation coefficient values "r" equals 0.998 5, and the theory calculation of 7-Hydroxycoumarin IR by density functional theory at the base set level is reliable.

Canopy temperature is one of promising signals for evaluating crop water status. The infrared thermal imager can provide real-time temperature distributions over larger areas with high spatial resolution. The main factors (the observation orientation, angle and distance) controlling the accuracy of measuring canopy temperature with the infrared thermal imaging were investigated in a cotton field. Moreover, the correlation relationships between the crop water stress index (CWSI), which was observed using different methods, and soil water content (SWC), leaf water potential (LWP), and stomatal conductance (g(s)) of cotton in different water treatments were analyzed. Results indicated that the CWSI, which was measured in the opposite direction of the sun with the observation angle of 45°, was in good correlation with LWP, g(s) and SWC, indicating it was a suitable observing method of canopy temperature. The canopy temperature gradually decreased with the increasing observation distance, so the calibration was necessary for long-distance measurement. By analyzing the relationship between the temperature at the dry/wet reference surface and the canopy temperature, we developed a suitable and simplified model of CWSI for cotton in the North China Plain.

Water and energy metabolism of plants is very important actions in their lives. Although the studies about these actions by using thermography were often reported, seldom were found in detecting the health status of forest trees. In this study, we increase the measurement accuracy and comparability of thermo-images by creating the difference indices. Based on it, we exam the water and energy status in stem of Chinese arborvitae (Platycladus orientalis (L.) Franco) by detecting the variance of far infrared spectrum between sap-wood and heart-wood of the cross-section of felling trees and the cores from an increment borer using thermography. The results indicate that the sap rate between sapwood and heartwood is different as the variance of the vigor of forest trees. Meanwhile, the image temperature of scale leaves from Chinese arborvitae trees with different vigor is also dissimilar. The far infrared spectrum more responds the sap status not the wood percentage in comparing to the area rate between sapwood and heartwood. The image temperature rate can be used in early determining the health status of Chinese arborvitae trees. The wood borers such as Phloeosinus aubei Perris and Semanotus bifasciatus Motschulsky are the pests which usually attack the low health trees, dying trees, wilted trees, felled trees and new cultivated trees. This measuring technique may be an important index to diagnose the health and vigor status after a large number of measurements for Chinese arborvitae trees. Therefore, there is potential to be an important index to check the tree vigor and pest damage status by using this technique. It will be a key in the tending and management of ecological and public Chinese arborvitae forest.

The gas chromatograph (GC)-infrared spectroscopy (IR) technique combines the particular separating capacity of GC and the faultlessly with distinguishing capacity of molecular structure of IR, its detective sensitivity is very high and itis used to separate and identify many kinds of complicated compounds from element speciation analysis, natural products, and gasoline. This paper introduces the principle of GC-IR. Three types of interface techniques, light pipe technique, matrix isolation technique and direct deposition technique are compared. Connection type with other detections and factors influencing sensitivity in interface are also introduced. The improvement and achievement in coupling GC system, interface, data processing techniques and its application is reviewed in the present paper.

An online Fourier Transform Infrared Spectrometer and an ATR (Attenuated Total Reflection) probe, specifically at the application of real time measurement of the reaction substrate concentration in biological processes, were designed. (1) The spectrometer combined the theories of double cube-corner reflectors and flat mirror, which created a kind of high performance interferometer system. The light path folding way was utilized to makes the interferometer compact structure. Adopting double cube-corner reflectors, greatly reduces the influence of factors in the process of moving mirror movement such as rotation, tilt, etc. The parallelogram oscillation flexible support device was utilized to support the moving mirror moves. It cancelled the friction and vibration during mirror moving, and ensures the smooth operation. The ZnSe splitter significantly improved the hardware reliability in high moisture environment. The method of 60° entrance to light splitter improves the luminous flux. (2) An ATR in situ measuring probe with simple structure, large-flux, economical and practical character was designed in this article. The transmission of incident light and the light output utilized the infrared pipe with large diameter and innerplanted-high plating membrane, which conducted for the infrared transmission media of ATR probe. It greatly reduced the energy loss of infrared light after multiple reflection on the inner wall of the light pipe. Therefore, the ATR probe obtained high flux, improved the signal strength, which make the signal detected easily. Finally, the high sensitivity of MCT (Mercury Cadmium Telluride) detector was utilized to realize infrared interference signal collection, and improved the data quality of detection. The test results showed that the system yields the advantages of perfect moisture-proof performance, luminous flux, online measurement, etc. The designed online Fourier infrared spectrometer can real-time measured common reactant substrates such as glycerin in the bioreactor under high quality. There is a large potential market, such as online analysis in biological, chemical testing and material analysis.

A real-time infrared (IR) spectroscopy measurement is an effective means to obtain enzymatic information either in vitro or in living cells, as it can provide direct, continue test of biomacromolecule reactions. The principles of measurements are performed basing on the fact that the absorption bands in spectra of reactants and products are usually separated to each other and changed independently with time. Therefore, it is possible to measure the enzymatic efficiency at any reaction time according to the changes of characteristic band, from either reactant or product. That is, IR spectroscopy can be used to obtain intracellular structural information during the cells metabolic processes, as which can provide detailed and reliable scientific evidences. In this paper, we summarized the new developments of IR spectra in the in vitro enzymatic assay for several representative enzymes, as well the screening of enzyme inhibitors, which was further extended to the identical aspect by using living cells as detection model. Such important enzymatic examination closes to the physiological conditions without labeling, supplying structural information of the related biomolecules. The developing trends of IR spectra are discussed and the perspectives of it in the research area are also provided in this review.

A rapid discrimination method of edible oils, KL-BP model, was proposed by attenuated total reflectance infrared spectroscopy. The model extracts the characteristic of classification from source data by KL and reduces data dimension at the same time. Then the neural network model is constructed by the new data which as the input of the model. 84 edible oil samples which include sesame oil, corn oil, canola oil, blend oil, sunflower oil, peanut oil, olive oil, soybean oil and tea seed oil, were collected and their infrared spectra determined using an ATR FT-IR spectrometer. In order to compare the method performance, principal component analysis (PCA) direct-classification model, KL direct-classification model, PLS-DA model, PCA-BP model and KL-BP model are constructed in this paper. The results show that the recognition rates of PCA, PCA-BP, KL, PLS-DA and KL-BP are 59.1%, 68.2%, 77.3%, 77.3% and 90.9% for discriminating the 9 kinds of edible oils, respectively. KL extracts the eigenvector which make the distance between different class and distance of every class ratio is the largest. So the method can get much more classify information than PCA. BP neural network can effectively enhance the classification ability and accuracy. Taking full of the advantages of KL in extracting more category information in dimension reducing and the features of BP neural network in self-learning, adaptive, nonlinear, the KL-BP method has the best classification ability and recognition accuracy and great importance for rapidly recognizing edible oil in practice.

Cultural fibrous material includes both important categories, i. e. textile and paper, consisting of precious cultural materials in museum, such as costume, painting, and manuscript. In recent years more and more connoisseur and conservator's concerns are, through nondestructive method, the authenticity and the ageing identification of these cultural relics especially made from fragile materials. In this research, we used attenuated total reflection infrared spectroscopy to identify five traditional textile fibers, alongside cotton, linen, wool, mulberry silk and tussah silk, and another five paper fibers alongside straw, wheat straw, long qisong, Chinese alpine rush and mulberry bar, which are commonly used for making Chinese traditional xuan paper. The research result showed that the animal fiber (wool, mulberry silk and tussah silk) and plant fiber (cotton and linen) were easier to be distinguished by comparing the peaks at 3 280 cm-1 belonging to NH stretching vibration and a serious peaks related to amide I to amide III. In the spectrum of wool, the peak at 1 076 cm-1 was assigned to the S-O stretching vibration absorption of cystine in wool structure and can be used to tell wool from silk. The spectrum of mulberry silk and tussah silk seems somewhat difficult to be identified, as well as the spectrum of cotton and linen. Five rural paper fibers all have obvious characteristic peaks at 3 330, 2 900 cm-1 which are related to OH and CH stretching vibration. In the fingerprint wavenumber range of 1 600 - 800 cm, the similar peaks also appeared at 1 370, 1 320 cm-1 and 1 162, 1 050 cm-1, both group peaks respectively are related to CH and CO vibration in the structure of cellulose and hemicellulose in paper fibers. Although there is more similarity of the infrared spectroscopy of these 5 paper fibers, some tiny difference in absorbance also can be found at 3 300 cm-1 and in the fingerprint range at 1 332, 1 203, and 1 050 cm-1 which are related to C-O-C vibration in cellulose. Moreover, in order to explore direct and simple method to identify different materials with similar spectrum,. the principal component analysis (PCA) was applied to separate cotton and linen, mulberry silk and tussah silk, as well as five paper fibers. To eliminate and reduce the spectral scattering caused by sample uneven surface roughness, the multiplicative scatter correction (MSC) has been applied based on total spectral data. The result showed that the score plot using the first two principal components can effectively categorize both group textiles of cotton and linen, as well as mulberry silk and tussah silk, and they have similar chemical structure. For five paper fibers, the PCA was applied in different spectral range (918-550, 1 280-918, 1 700-1 280 and 3 800-2 800 cm-1), and the best result appeared in the range from 3 800 to 2 800 cm-1, in which the five paper fibers can be well categorized. This research showed that infrared spectroscopy combined with principal component analysis has great potential advantage on identifying fibrous materials with similar structure.

The genuineness and producing area of Panax notoginseng were studied based on infrared spectroscopy combined with discriminant analysis. The infrared spectra of 136 taproots of P. notoginseng from 13 planting point in 11 counties were collected and the second derivate spectra were calculated by Omnic 8. 0 software. The infrared spectra and their second derivate spectra in the range 1 800 - 700 cm-1 were used to build model by stepwise discriminant analysis, which was in order to distinguish study on the genuineness of P. notoginseng. The model built based on the second derivate spectra showed the better recognition effect for the genuineness of P. notoginseng. The correct rate of returned classification reached to 100%, and the prediction accuracy was 93. 4%. The stability of model was tested by cross validation and the method was performed extrapolation validation. The second derivate spectra combined with the same discriminant analysis method were used to distinguish the producing area of P. notoginseng. The recognition effect of models built based on different range of spectrum and different numbers of samples were compared and found that when the model was built by collecting 8 samples from each planting point as training sample and the spectrum in the range 1 500 - 1 200 cm-1 , the recognition effect was better, with the correct rate of returned classification reached to 99. 0%, and the prediction accuracy was 76. 5%. The results indicated that infrared spectroscopy combined with discriminant analysis showed good recognition effect for the genuineness of P. notoginseng. The method might be a hopeful new method for identification of genuineness of P. notoginseng in practice. The method could recognize the producing area of P. notoginseng to some extent and could be a new thought for identification of the producing area of P. natoginseng.

Objective: To study and identify the three species of dry medicinal plant leaves trom Elaeagnus genus (E. pungens, E. lanceolata and E. henryi) by Infrared Spectroscopy(IR)., Methods: Fourier transform infrared spectroscopy and second derivative infrared spectroscopy were used to study and compare the characteristics of leaves of three Elaeagnus medicinal plants., Results: The IR spectra and second derivative infrared spectra of the three Elaeagnus plants leaves were similar on the whole, the intensity or ratio of intensity of some absorption peaks still had certain distinctions, and the differences of the second derivative infrared spectra were more obvious. There were only slight differences between large and small leaf type of samples of Elaeagnus lanceolata; the differences of the plant leaves of one species collected in different harvest periods were far smaller than those of others belonging to the same genus., Conclusion: IR can be relatively reliably used for identification of the three Elaeagnus leaves.

Infrared spectroscopy (IR), the normal Raman spectroscopy (NRS) and the surface enhanced Raman spectroscopy (SERS) in new Ag/Cu nanomaterial of Rotundine were studied in the present paper. The IR and the NRS of Rotundine were calculated by the density functional theory (DFT) using B3LYP/6-311+G(d, p), then the spectral intensity graph of Rotundine were given. The vibrational peaks were assigned comprehensively by the visualization software of Gauss view 5. 0. Rotundine has obvious infrared and Raman vibrational peak in the wave number range of 3 300-2500 and 1 800-600 cm(-1). SnCl2 and PVP was used as capping agent for the silver nanoparticles in SERS of Rotundine. Finally, by using the method of cyclic immersion well dispersed silver nanoparticles was obtained and achieved good enhancement effect. This molecule acquired strong selective enhancement vibration peak, In the wave number ranges of 1 500-1 400 and 1 000-700 cm(-1) the enhancement effect is most obvious. After analyzed, the methylene of this molecule is adsorbed on the silver nanoparticles surface and the angle between the benzene ring and the silver substrate is close to 90 degrees. The theoretically calculated spectra of Rotundine are consistent with the obtained experimental spectra. There are some differences may be due to the interaction forces between molecules and so on. The visualization software displayed the structure characteristics and molecular group vibration of this molecular visually and provided important basis for assigning the vibrational peaks. Rotundine is an important traditional Chinese medicine agent contained in many kinds of sedative drugs. The study provides a strong basis for the rapid, feature and trace identification of Rotundine and also supplies important reference for the biological role of central inhibition of analgesic drugs.

The difference of Dendrobium varieties were analyzed by Fourier transform infrared (FTIR) spectroscopy. The infrared spectra of 206 stems from 30 Dendrobium varieties were obtained, and showed that polysaccharides, especially fiber, were the main components in Dendrobium plants. FTIR combined with Wilks' Lambda stepwise discriminative analysis was used to identify Dendrobium varieties. The effects of spectral range and number of training samples on the discrimination results were also analysed. Two hundred eighty seven variables in the spectral range of 1 800-1 250 cm(-1) were studied, and showed that the return discrimination is 100% correct when the training samples number of each species was 2, 3, 4, 5, and 6, respectively, whereas for the remaining samples the correct rates of identification were equal to 79.4%, 91.3%, 93.0%, 98.2%, and 100%, respectively. The same discriminative analyses on five different training samples in the spectral range of 1 800-1 500, 1 500-1 250, 1 250-600, 1 250-950 and 950-650 cm(-1) were compared, which showed that the variables in the range of 1 800-1 250, 1 800-1 500 and 950-600 cm(-1) were more suitable for variety identification, and one can obtain the satisfactory result for discriminative analysis when the training sample is more than 3. Our results indicate that FTIR combined with stepwise discriminative analysis is an effective way to distinguish different Dendrobium varieties.

Measuring the glucose concentrations in the interstitial fluid is currently the main method to achieve the continuous blood glucose monitoring. The MIR-ATR(Mid-infrared, Attenuated Total Reflection)Spectroscopy has prominent advantage on the analysis of small biological molecule for composition information like the glucose, but it is still an unresolved problem that how to detect the subcutaneous glucose concentration by using the MIR-ATR Spectroscopy. In the present paper, we carry out the experiment based on MIR-ATR for the detection of subcutaneous glucose information on both the natural state and the penetration state based on the theoryanalysis of MIR penetration depth. Firstly, collect spectral data of the subcutaneous glucose concentration of human finger on the natural state were collected as the light shined the skin directly, and it was discussed whether the MIR can penetrate the skin to get the information of subcutaneous glucose. On this basis, collect spectral data of the subcutaneous glucose concentration of human finger at the penetration state were collected when the Interstitial fluid is permeated to the surface layer by using low-frequency ultrasound and vacuum, then it analyzed that whether it can detect the glucose-specific information or not. As the two-dimensional correlation spectroscopy has high resolution and good versatility, it is widely used to analyze the inter-molecular reaction and judge the absorption peaks information in many fields including the MIR spectroscopy field, so we choose the Two-dimensional correlation spectroscopy to analyze the information of subcutaneous glucose concentration at the natural state and the penetration state. The experiment result shows that the MIR-ATR spectroscopy can't be applied in the detection of subcutaneous glucose concentrationdirectly, and it is a promising direction to make the Interstitial fluid permeated to the surface layer by the physical methods or chemical methods.

Objective: To study the incorporation rate and release behavior of bovine serum albumin (BSA) incorporated into the calcium phosphate coating by biomimetic deposition, as well as the physical and chemical properties of the hybrid coating, and to provide experimental basis for the fabrication of growth factor/biomimetic calcium phosphate coating and exploration for the loading/release behavior of growth factors., Methods: Pure titanium specimens were immersed into saturated calcium phosphate solutions(SCP) containing no BSA (controlled group) and 3 different concentrations of BSA (experimental groups) : 1, 10 and 100 mg/L. Biomimetic calcium phosphate coating was formed on titanium surface and BSA was incorporated into the coating through co-deposition. The topography of the specimen was observed using scanning electron microscopy (SEM). Chemical structure and phase composition of coatings were detected by Fourier infrared spectroscopy (FTIR) analysis and X-ray diffraction (XRD) respectively. BSA incorporation rate and release profile were determined by bicinchoninic acid protein assay kit., Results: The biomimetic calcium phosphate coating was mainly composed of hydroxyapatite and octacalcium phosphate. BSA was successfully incorporated into the calcium phosphate coatings in all the 3 experimental groups. With the increase of BSA concentration, plate-like units of the coatings were turned into small grid structure. BSA incorporation rates of the three experimental groups were (72.4 ± 2.4)%, (62.3 ± 0.9)% and (42.2 ± 1.7)% respectively. The in vitro release test showed that all three BSA release profiles could be divided into two significant different stages: early burst release stage and later sustained release stage. The amount of BSA release of the 3 experimental groups in 24 h and 30 d were (1.57 ± 0.09), (8.82 ± 0.93), (140.24 ± 3.12) µg, and (2.39 ± 0.29), (14.39 ± 0.70), (151.06 ± 2.00) µg respectively., Conclusions: Biomimetic calcium phosphate coating can be used as an effective carrier for protein. BSA concentration has an impact on the incorporation rate and release speed of BSA from the calcium phosphate coating. Favorable BSA incorporation rate and release behavior can be obtained at BSA concentration of 10 mg/L.

The common peak ratio and variant peak ratio were calculated by FTIR spectroscopy of seven medicinal plants of Piper. The dual index sequence of common peak ratio and variant peak ratio was established, which showed the sibship of the medicinal plants. The common peak ratio of Piper kadsura (Choisy) Ohwi, Piper wallichii (Miq.) Hand.-Mazz. Piper laetispicum (C. DC.) was greater than 77%, and the variant peak ratio was less than 30%. The results showed the near sibship between the three drugs. The common peak ratio of Piper kadsura (Choisy) Ohwi, Piper nigrum L. and Piper boehmeriae folium Wall (Miq.) C. DC. Var. tonkinense (C. DC.) was about 61% which showed the farther sibship. The common peak ratio of Piper kadsura (Choisy) Ohwi and Piper betle (Linn.) was only 44%, which showed the farthest sibship. Piper kadsura (choisy) Ohwi and its adulterants, such as Piper wallichii (Miq.) Hand. -Mazz., Piper boehmeriaefolium Wall (Miq.) C. DC. Var. tonkinense C. DC. , Piper laetispicum C. DC., Piper nigrum L., could be identified by comparing their second order derivative IR spectrum of the samples. FTIR technique is a non-destructive analysis method which provides information of functional group, type and hydrogen bond without complex pretreatment procedures such as extraction and separatioin. FTIR method has some characteristics such as rapid and simple analysis procedure, good reproducibility, non-destructive testing, few amount of required sample and low cost and is environment-friendly. The method solved the problems of limit in resource of Piper kadsura (Choisy) Ohwi, many fakes and difficulties in identification, and brought the security for the clinical medication. FTIR provides a new method for identification of Piper kadsura (choisy) Ohwi and its fakes and meets the requirement for comprehensive analy sis and global analysis of traditional Chinese medicine.

Semen Glycines Nigrae and Semen Pharbitidis containing a large amount of fats and proteins are commonly used in Chinese herbal medicine. Tri-step infrared spectroscopy was applied to fast analyze and identify the two samples. In the conventional infrared spectroscopy, the samples both have obvious characteristic absorption peaks at 1,745 cm(-1) assigned to the stretching mode of C==O in esters. Furthermore, the two kinds of herbs have the peaks at 1,656 and 1,547 cm(-1) assigned to the amide I and II bands of protein. Obviously, the infrared spectra of herbs demonstrate that protein and fat is the major component in two kinds of herbs, and the relative intensity of the peaks assigned to fat and protein indicate their relative content is different. And the result is consistent with the reported. In the second derivative spectra, Semen Pharbitidis has a peak at 1,712 cm(-1) assigned to the organic acid, however, Semen Glycines Nigrae has not this absorption peak. In addition, in the second derivative spectra, appeared more differences between the two samples in shape and intensity of the peaks. In two-dimensional correlation infrared spectra, the two samples were visually distinguished due to their significant differences in auto-peak position and intensity. In the region of 1,500-1,700 cm(-1), Semen Glycines Nigrae has two autopeaks and Semen Pharbitidis has three autopeaks. In the region of 2,800-3,000 cm(-1), the samples both have two autopeaks, but the position of the strongest autopeak is different. It was demonstrated that the Tri-step infrared spectroscopy were successfully applied to fast analyze and identify the two kinds of samples containing the same major component, and made sure the foundation for future researches.

A set of rapid analysis system for hydrocarbon composition of heavy oils was designed using attenuated total reflection FTIR spectrometer and chemometrics to determine the hydrocarbon composition of furfural extract oils. Sixty two extract oil samples were collected and their saturates and aromatics content data were determined according to the standard NB/SH/T0509-2010, then the total contents of resins plus asphaltenes were calculated by the subtraction method in the percentage of weight. Based on the partial least squares (PLS), calibration models for saturates, aromatics, and resin+asphaltene contents were established using attenuated total reflection FTIR spectroscopy, with their SEC, 1.43%, 0.91% and 1.61%, SEP, 1.56%, 1.24% and 1.81%, respectively, meeting the accuracy and repeatability required for the standard. Compared to the present standard method, the efficiency of hydrocarbon composition analysis for furfural extract oils is significantly improved by the new method which is rapid and simple. The system could also be used for other heavy oil analysis, with excellent extension and application foreground.

The feasibility of protein determination of shiitake mushroom (Lentinus edodes) using mid-infrared spectroscopy (MIR) was studied in the present paper. Wavenumbers 3 581-689 cm(-1) were used for quantitative analysis of protein content after removing of the part of obvious noises. Five points Savitzky-Golay smoothing was applied to pretreat the MIR spectra and partial least squares (PLS) model was built based on the pretreated spectra. The full spectra PLS model obtained poor performance with the ratio of prediction to deviation (RPD) of only 1.77. Successive projections algorithm (SPA) was applied to select 7 sensitive wavenumbers from the full spectra, and PLS model, multiple linear regression (MLR), back-propagation neural network (BPNN) and extreme learning machine (ELM) model were built using the selected sensitive wavenumbers. SPA-PLS model and SPA-MLR model obtained relatively worse results than SPA-BPNN model and SPA-ELM model. SPA-ELM obtained the best results with correlation coefficient of prediction (R(p)) of 0.899 5, root mean square error of prediction (RMSEP) of 1.431 3 and RPD of 2.18. The overall results indicated that MIR combined with chemometrics could be used for protein content determination of shiitake mushroom, and SPA could select sensitive wavenumbers to build more accurate models instead of the full spectra.

Raman signal of solid and liquid carbendazim pesticide was collected by laser Raman spectrometer. The acquired Raman spectrum signal of solid carbendazim was preprocessed by wavelet analysis method, and the optimal combination of wavelet denoising parameter was selected through mixed orthogonal test. The results showed that the best effect was got with signal to noise ratio (SNR) being 62.483 when db2 wavelet function was used, decomposition level was 2, the threshold option scheme was 'rigisure' and reset mode was 'sln'. According to the vibration mode of different functional groups, the de-noised Raman bands could be divided into 3 areas: 1 400-2 000, 700-1 400 and 200-700 cm(-1). And the de-noised Raman bands were assigned with and analyzed. The characteristic vibrational modes were gained in different ranges of wavenumbers. Strong Raman signals were observed in the Raman spectrum at 619, 725, 964, 1 022, 1 265, 1 274 and 1 478 cm(-1), respectively. These characteristic vibrational modes are characteristic Raman peaks of solid carbendazim pesticide. Find characteristic Raman peaks at 629, 727, 1 001, 1 219, 1 258 and 1 365 cm(-1) in Raman spectrum signal of liquid carbendazim. These characteristic peaks were basically tallies with the solid carbendazim. The results can provide basis for the rapid screening of pesticide residue in food and agricultural products based on Raman spectrum.

Objective: To study the chemical constituents from Laggera pterodonta., Methods: The compounds were isolated and purified by column chromatographic methods with silica gel, Sephadex LH-20, ODS and preparation HPLC. Their structures were identified by physicochemical properties and spectral data., Results: Ten compounds were isolated and elucidated as 3,4',5-trihydroxy-6,7-dimethoxyflavone (1), 3, 3', 5-trihydroxy-4', 6,7-trimethoxyflavone (2), chrysosplenetin B (3), 5-hydroxy-4', 7-dimethoxyflavanone (4), 5, 7,4'-trihydroxy-3, 3'-dimethoxyflavone (5), artemitin (6), quercetin (7), pinostrobin (8), luteolin (9) and apigenin (10), respectively., Conclusion: Compounds 1, 2, 4, 5 and 8 - 10 are isolated from this plant for the first time.

Infrared Spectroscopy (IR) integrated with two dimensional correlation infrared spectroscopy (2DCOS IR) was employed to rapidly discriminate Dendrobium loddigesii Rolfes (DR) from different regions and harvesting periods. The results showed that the IR peaks around 1 035, 1 051, 1 078, 1 156, 1 500, 1 511 and 1 736 cm-1had perceptible differences among DRs from different regions, indicating that different DRs containing remarkable different compositions and contents of polysaccharides, ketones and esters. 2DCOS IR spectra of DRs from Vietnam, Yunnan, Guangxi, Guizhou each had seven, eight, eight, nine auto peaks, respectively; furthermore, DRs from Guagnxi had the strongest peak in 1 220 cm-1, which was distinguish to those of other DRs (980 cm -1). In the IR spectra of DRs from different harvest seasons, the wave number of key peaks in (1 034 approximately1 023)cm- 1, the wave number of minor peaks in (1 6174)cm-1, as well as the presence of peaks in 1 078(1 076, 1 079)cm-1, showed obvious periodic changes with the seasons, which indicated the accumulation of polysaccharides and ketones from DRs displayed an evident periodic variability discipline. The application of FTIR in DRs could facilitate acquiring their growth conditions, composition and content changes, which would be significant in rational exploitations and utilizations of DR

Visible and short wave infrared spectroscopy (Vis/SW-NIRS) was investigated in the present study for measurement of soil organic matter (OM) and available potassium (K). Four types of pretreatments including smoothing, SNV, MSC and SG smoothing+first derivative were adopted to eliminate the system noises and external disturbances. Then partial least squares regression (PLSR) and least squares-support vector machine (LS-SVM) models were implemented for calibration models. The LS-SVM model was built by using characteristic wavelength based on successive projections algorithm (SPA). Simultaneously, the performance of LSSVM models was compared with PLSR models. The results indicated that LS-SVM models using characteristic wavelength as inputs based on SPA outperformed PLSR models. The optimal SPA-LS-SVM models were achieved, and the correlation coefficient (r), and RMSEP were 0. 860 2 and 2. 98 for OM and 0. 730 5 and 15. 78 for K, respectively. The results indicated that visible and short wave near infrared spectroscopy (Vis/SW-NIRS) (325 approximately 1 075 nm) combined with LS-SVM based on SPA could be utilized as a precision method for the determination of soil properties.

This study was designed to investigate the formation and effect of inclusion complex of Avermectin-beta-cyclodextrin based on the accommodation property of beta-cyclodextrin's molecular cavity. The inclusion complex of Averrnectin-beta-cyclodextrin was prepared using saturated solution method and high performance liquid chromatography (HPLC) was employed to determine its entraping efficiency. The formation of Avermectin-beta-cyclodextrin inclusion complex was also demonstrated by infrared spectroscopy(IR). The change of chemical structure produced by photocatalysis of Abamectin was analyzed and the effect of inclusion complex to strengthen the photolysis stability of Abamectin's chemical structure was studied. The results show that the entraping efficiency of the inclusion complex was 40. 5%. The IR analysis presents that the intermolecular hydrogen bond was formed in the Avermectin-beta-cyclodextrin inclusion complex, indicating the composition effect was different from physical mixture. The lactones structure of Avermectin Bla can be photodecomposed and disrupted. After decomposition, the infrared stretching vibration peak of C-O-C structure disappeared and the lactone bond was significantly broken. The lactones structure of avermectin Bla was covered by the inclusion molecular loci in beta-cyclodextrin after the formation of avermectin-beta-cyclodextrin inclusion complex, providing a good photophobic protection for C-O-C structure in the macrocyclic lactone structure of avermectin Bla and improving the photostability of avermectin Bla molecule. The innovation of this study is that the structure and the characters of the prepared avermectin-beta-cyclodextrin inclusion complex were analyzed using spectrum methods. This inclusion complex is expected to be the ideal intermediate in the construction of protective controlled release formulation of avermectin.

In this paper, Rhodiolae Crenulatae Radix et Rhizoma extract,with high hygroscopic,was selected as research model, while lactose was selected as modifiers to study the effect of the grinding modification method on the hygroscopic. Subsequently, particle size distribution, scannin electron microscopy, infrared spectroscopy and surface properties were adopted for a phase analysis. The results showed that the modified extract, prepared by Rhodiolae Crenulatae Radix et Rhizoma extract grinding 5 min with the same amount of lactose UP2, which hygroscopic initial velocity, acceleration, and critical relative humidity moisture were less than that of Rhodiolae Crenulatae Radix et Rhizoma extract and the mixture dramatically. In addition, compared with the mixture, the size distribution of modified extract was much less, the microstructure was also difference, while the infrared spectroscopy and surface properties were similar with that of lactose. It is the main principle that lactose particle adhered to the surface of Rhodiolae Crenulatae Radix et Rhizoma extract after grinding mofication to decress the moisture obviously.

Hide melting presents itself as one of the most critical processes in the production of donkey-hide gelatin. Here a NIR-based method was established for the rapid analysis of in-process hide melting solutions as well as for end-point determination of this process. Near infrared (NIR) spectra of hide melting solutions were collected in transflective mode. With the contents of total nitrogen determined by the Kjeldahl method as reference values, partial least squares regression (PLSR) was employed to build calibration models between NIR spectra and total nitrogen. Model parameters including wavelength range and PLS factors were optimized to achieve best model performance. Based on the contents of total nitrogen predicted by calibration model, end point of hide melting was determined. The constructed PLS model gave a high correlation coefficient (R2) of 0.991 3 and a root mean square error of prediction (RMSEP) of 0.807 g x L(-1). With the predicted total nitrogen and predefined limit, decisions concerning the proper times of melting were made. This research demonstrated that NIR transflectance spectroscopy could be used to expeditiously determine the contents of total nitrogen which was subsequently chosen as the indictor for determining the end-point of hide melting. The proposed procedure may help avoid unnecessary raw material or energy consumption.

In the present study, Mid-infrared spectroscopy was used to identify the producing area of Letinus edodes, and relevance vector machine (RVM) was put forward to build classification models as a novel classification technique, and they obtained good performances. The head and the tail of the acquired mid-infrared spectra with the absolute noise were cut off, and the remaining spectra in the range of 3,581-689 cm(-1) (full spectra) of Letinus edodes were preprocessed by multiplicative scatter correction (MSC). Five classification techniques, including partial least Squares-discriminant analysis (PLS-DA), soft independent modeling of class analogy (SIMCA), K-nearest neighbor algorithm (KNN), support vector machine (SVM) and RVM, were applied to build classification models based on the preprocessed full spectra. All classification models obtained classification accuracy over 80%, KNN, SVM and RVM models based on full spectra obtained similar and good performances with classification accuracy over 90% in both the calibration set and the prediction set. The weighted regression coefficients (Bw) were used to select effective wave numbers of mid-infrared spectra and 6 effective wave numbers in total were selected on the basis of the weighted regression coefficients of PLS-DA model based on full spectra. PLS-DA, KNN, SVM and RVM models were built using these effective wave numbers. Compared with the classification models based on full spectra, PLS-DA models based on effective wave numbers obtained relatively worse results with classification accuracy less than 80%, and KNN, SVM and RVM obtained similar results in both calibration set and prediction set with classification accuracy over 90%. RVM performed well with classification rate over 90% based on full spectra and effective wave numbers. The overall results indicated that producing area of Letinus edodes could be identified by mid-infrared spectroscopy, while wave number selection and the RVM algorithm could be effectively used in mid-infrared spectroscopy analysis. In this study, mid-infrared spectroscopy was successfully applied to identify the producing area of Letinus edodes, which could provide a new concept for quality analysis of Letinus edodes and other agricultural products, and the application of mid-infrared spectroscopy had practical significance.

Aloe is widely used in various fields for its rich polysaccharides, proteins, amino acids, vitamins, active enzymes and trace beneficial elements to human body. However, the main active ingredient aloin is also an allergenic ingredient, which even may cause a severe allergic reaction In this study, infrared spectroscopy, Raman spectroscopy applied to the structural characterization of the aloin Density functional theory (DFT) is applied to the theoretical calculations using the B3LYP/6-31G (d) basis set vibration, which was helpful to understand the aloin molecular vibrational frequency. By comparing we choose the optimal experimental condition for water as solvent under alkaline conditions, the detection limit of the Aloin can reach a level of 5 ppm, which can be considered the theoretical basis for rapid detection of aloin content.

Different geographical regions of traditional Chinese medicine (TCM), its chemical composition is different, the accumulation of drug and medicinal properties is different. The accurate identification and analysis of different production area of medicinal herbs is critical for the quality control and pharmacological research of TCM. In this paper, a tri-step infrared spectroscopy (Fourier transform infrared spectroscopy (FTIR) combined with second derivative spectra and two-dimensional correlation infrared spectroscopy (2D-COS) were employed to identify and analyze the main components of Hubei (HB), Anhui (AH), Yun-nan (YN) genuine Poria Cocos peels. The emergence of several characteristic absorption peaks of carbohydrates including 1149, 1079 1036 cm(-1), peaks around 1619, 1315, 780 cm(-1) belonged to calcium oxalate suggested that HB and AH Poria Cocos peels contained calcium oxalate, but peaks around 797, 779, 537, 470 cm(-1) belonged to kaoline suggested that YN Poria Cocos peels contained kaoline. Their carbohydrates were different by comparing the second derivative infrared spectra in the range of 1640-450 cm(-1) and Yongping come from YN contains both calcium oxalate and kaoline. Furthermore, the above differences were visually validated by two-dimensional correlation spectroscopy (2D-COS). It was demonstrated that the Tri-step infrared spectroscopy were successfully applied to fast analyze and identify Poria Cocos peels from different geographical regions and subsequently would be applicable to explain the relevance of geographical regions and medicinal properties for the TCM.

Abstract: Suxamethonium chloride is a depolarizing muscle relaxant used in general anesthesia. In overdose, it causes adverse reactions such as bradycardia, arrhythmia, cardiac arrest, and death. The article reviews the progress on testing methods of suxamethonium chloride such as infrared spectroscopy, chemical color reaction, chemical titration, enzyme electrode, chromatography and mass spectrometry.

Objective: To study the effect of solid dispersion technology and inclusion technology on dissolution performance of Pulsatillae total saponins, and preliminarily investigate its mechanism., Method: The solid dispersion of Pulsatillae total saponins-PEG 4000 was prepared by the melting method. The inclusion compound of Pulsatillae total saponins-hydroxypropyl-beta-cyclodextrin ( HP-beta-CD) was prepared by the freeze-drying method. The properties of solid dispersion and inclusion compound were identified by using IR, DSC and NMR. And the dissolution of solid dispersion and inclusion compound were also determined by the small glass method., Result: IR, DSC and NMR results showed the formation of solid dispersion and inclusion compound. In terms of the dissolution, the inclusion compound ranked first, which was followed by solid dispersion and bulk pharmaceutical chemicals., Conclusion: The inclusion technology could significantly increase the dissolution of Pulsatillae total saponins, whereas the solid dispersion showed no notable solubilization effect.

Fourier transform infrared spectroscopy has been widely used in some related fields, thus induces the rapid development of quantitative analysis method based on Lambert-Beer's Law and chemometrics in recent years. The selection of appropriate pre-processing method and calibration model is extremely crucial to the quantitative analysis. The present paper selected 30 wine samples and used infrared spectroscopy combined with vector regression algorithm SVR quantitative analysis model with standard normal variate, baseline correction and outliers elimination to analyze four representative components of wine. Satisfactory results were gained while the relative errors were limited to less than 5%. This method can be applied to the wine representative quantitative analysis for the material content.

The present paper simulates laser wavelength 632 and 750 nm Gaussian beam migration in apple fruit tissue using Monte-Carlo method, and researches the spectral properties of absorption and scattering. It was shown that the special energy distribution characteristics of Gaussian beam influenced the diffusion of the laser in the tissue, the reflection, absorption and transmittance of 750 nm by tissue are lower, there are more photons interacting with tissue within the tissue, and they can more clearly reflect the information within the tissue. So, the transmission characteristics of the infrared light were relatively strong in biology tissue, which was convenient for researching biology tissue.

Considering the great relationships between shortwave infrared (SWIR) and leaf area index (LAI), innovative indices based on water vegetation indices and visible-infrared vegetation indices were presented. In the present work, PROSAIL model was used to study the saturation sensitivity of new vegetation indices to LAI. The estimate models about LAI of winter wheat were built on the basis of the experiment data in 2009 acting as train sample and their precisions were evaluated and tested on the basis of the experiment data in 2008. Ten visible-infrared vegetation indices and five water vegetation indices were used to construct new indices. The result showed that newly developed indices have significant relationships with LAI by numerical simulations and in-situ measurements. In particular, by implementing modified standardized LAI Determining Index (sLAIDI *), all new indices were neither sensitive to water variations nor affected by saturation at high LAI levels. The evaluation models could improve prediction accuracy and have well reliability for LAI retrieval. The result indicated that visible-infrared vegetation indices combined with water index have greater advantage for LAI estimation.

Dependent component analysis (DCA) was applied to directly estimate source spectral profiles from IR spectra of synthetic mixtures and characterize processing batch for preparation of radix scutellariae. The results show that DCA can estimate information of dependent components (DCs) from the measured infrared spectral (IR) signal obtained during the processing batch for preparation of radix scutellariae, and the estimated information of DCs is corresponding to the IR features of the active components of scutelliare; by inspection of the change trends of the estimated DCs, the endpoint of the processing batch was determined as 55 min. The proposed approach provides a novel way for process analysis and endpoint determination of procedure for preparation of scutellariae.

To study the optimum preparation process and stability of beta-cyclodextrin inclusion compound in volatile oil of Cinnamomum longepaniculatum leaves. The saturated aqueous solution method was adopted to prepare inclusion compounds for an orthogonal test. The inclusion compound productivity and the inclusion rate were taken as indexes for screening the inclusion processes. The inclusion effect was evaluated with the infrared spectrophotometry and TLC, and the stability under conditions of high temperature, high humidity and strong light was detected. Under optimum preparation conditions for inclusion, the ratio between volatile oil and beta-cyclodextrin was 1: 8 (mL: g), that between beta-cyclodextrin and water was 1: 15, the inclusion temperature was 40 degrees C, and the inclusion time was 3 h. The results of spectrophotometry and TLC showed that the optimum conditions can generate beta-cyclodextrin inclusion compound in volatile oil of C. longepaniculatum leaves with certain light resistance, thermo-stability and hygro-stability. Therefore the optimum inclusion process features simple operation and stable inclusion compounds.