Development of Near-Infrared Reflectance Spectroscopy Models for Quantitative Determination of Water-Soluble Carbohydrate Content in Wheat Stem and Glume

Water-soluble carbohydrate (WSC) reserved in stem is an important agronomic trait for crop improvement. The intact samples and pieces of chipped samples were employed to determine WSC content by near-infrared reflectance spectroscopy (NIRS). Three NIRS models were developed to predict WSC content in wheat stem lower internode, upmost internode, and wheat glume, respectively. Moreover, a mixed model was developed for WSC quantitative analysis in the mixed sample of the three wheat organs. Statistics analysis indicated that the four models showed a high determination coefficient (R² ≥ 0.97) and ratio of standard deviation to RMSECV (RPD ≥ 5.99). The NIRS models would allow rapid and high throughout assessments and selections of WSC contents in wheat genetics and breeding programs.     

我国油料产品品质的近红外光谱快速检测技术研究进展

近红外光谱技术是一种快速无损检测技术,具有操作简单、检测成本低、无需化学试剂、绿色环保,以及可实现多品质参数同步检测等优点。该文综述了我国油料和食用植物油品质的近红外光谱速测技术研究进展,包括油料含油量、粗蛋白含量、脂肪酸含量等品质指标,食用油的理化指标,以及脂肪酸和食用油的真实性鉴别,并对油料产品品质的近红外光谱速测技术的发展前景进行了展望。     

Muscle oxygenation measurement in humans by noninvasive optical spectroscopy and Locally Weighted Regression

We have developed a method to make real-time, continuous, noninvasive measurements of muscle oxygenation (Mox) from the surface of the skin. A key development was measurement in both the visible and near infrared (NIR) regions. Measurement of both oxygenated and deoxygenated myoglobin and hemoglobin resulted in a more accurate measurement of Mox than could be achieved with measurement of only the deoxygenated components, as in traditional near-infrared spectroscopy (NIRS). Using the second derivative with respect to wavelength reduced the effects of scattering on the spectra and also made oxygenated and deoxygenated forms more distinguishable from each other. Selecting spectral bands where oxygenated and deoxygenated forms absorb filtered out noise and spectral features unrelated to Mox. NIR and visible bands were scaled relative to each other in order to correct for errors introduced by normalization. Multivariate Curve Resolution (MCR) was used to estimate Mox from spectra within each data set collected from healthy subjects. A Locally Weighted Regression (LWR) model was built from calibration set spectra and associated Mox values from 20 subjects using 2562 spectra. LWR and Partial Least Squares (PLS) allow accurate measurement of Mox despite variations in skin pigment or fat layer thickness in different subjects. The method estimated Mox in five healthy subjects with an RMSE of 5.4%.     

基于电磁振动上料的茶梗和昆虫异物近红外光谱和荧光图像在线检测研究

茶叶是大众青睐的健康饮品之一,但茶叶在机器采收和加工过程中,容易混入茶梗和昆虫异物,污染茶叶、影响其质量安全,是未来应防范和检测的重点。X射线成像技术,根据食品基质和异物的密度差实施检测,广泛适用于金属异物并延伸至高密度塑料,但对于茶梗、昆虫这类低密度有机异物尚不适用,所以迫切需要研发新型无损检测技术和方法。针对片状茶叶重叠、遮掩异物的问题,提出了电磁振动上料辅助近红外光谱和荧光图像的检测方案,进行绿茶中的内源性异物茶梗和外源性异物昆虫的在线检测研究。通过电磁振动上料辅助近红外光谱和荧光成像系统,采集了600～1 050 nm范围的近红外光谱600条和RGB-N四通道图像各65幅。采用451条光谱进行建模,其余149条光谱作为预测集,评估模型的性能,比较了去趋势(Detrending)、多元散射校正(MSC)、标准正态变换(SNV)、变权重正态变换(VSN)、迭代自适应加权惩罚最小二乘法(airPLS)、不对称最小二乘法(ALS)、光程估计与校正(OPLEC)等不同光谱预处理方法的处理效果,其中OPLEC能较好地消除散射效应,偏最小二乘判别分析(PLS-DA)模型的正确识别率由78%提...     

Associations between Neurocardiovascular Signal Entropy and Physical Frailty

In this cross-sectional study, the relationship between noninvasively measured neurocardiovascular signal entropy and physical frailty was explored in a sample of community-dwelling older adults from The Irish Longitudinal Study on Ageing (TILDA). The hypothesis under investigation was that dysfunction in the neurovascular and cardiovascular systems, as quantified by short-length signal complexity during a lying-to-stand test (active stand), could provide a marker for frailty. Frailty status (i.e., “non-frail”, “pre-frail”, and “frail”) was based on Fried’s criteria (i.e., exhaustion, unexplained weight loss, weakness, slowness, and low physical activity). Approximate entropy (ApEn) and sample entropy (SampEn) were calculated during resting (lying down), active standing, and recovery phases. There was continuously measured blood pressure/heart rate data from 2645 individuals (53.0% female) and frontal lobe tissue oxygenation data from 2225 participants (52.3% female); both samples had a mean (SD) age of 64.3 (7.7) years. Results revealed statistically significant associations between neurocardiovascular signal entropy and frailty status. Entropy differences between non-frail and pre-frail/frail were greater during resting state compared with standing and recovery phases. Compared with ApEn, SampEn seemed to have better discriminating power between non-frail and pre-frail/frail individuals. The quantification of entropy in short length neurocardiovascular signals could provide a clinically useful marker of the multiple physiological dysregulations that underlie physical frailty.     

近红外光谱技术对闽南乌龙茶品种的识别研究

采用近红外光谱技术建立了一种快速无损的乌龙茶品种识别方法。收集闽南地区不同茶场中铁观音、黄金桂、本山、毛蟹与梅占等5个品种共210份具有代表性的乌龙茶样品,采集近红外光谱数据,选用1 100~1 300nm,1 640~2 498nm作为检测波长范围,利用主成分分析法(principal component analysis,PCA)建立模型,并在实验过程中比较多元散射校正(multiplicative scatter correction,MSC)与标准正态变量校正(standard normal variate,SNV)两种数据预处理方法对模型的影响。实验结果表明,多元散射校正对模型的影响优于标准正态变量校正,对校正集的识别准确率达到了96%,对预测集中样品的识别准确率达到了90%。实验结果证明了采用近红外光谱技术可以快速无损识别闽南地区乌龙茶,具有较强的实用价值和推广价值。     

Short-wave near-infrared spectroscopy analysis of major compounds in milk powder and wavelength assignment

In this study, short-wave near-infrared (NIR) spectroscopy at 800–1050 nm region was investigated for the analysis of main compounds in milk powder. Through quantitative analysis, the feasibility is further demonstrated for the simultaneous measurement of fat, proteins and carbohydrate in milk powder. Two models, partial least-squares and least-squares support vector machine, were compared and utilized for regression coefficients and loading weights. The affect of standard normal variate spectral pretreatment to model performance was evaluated. Based on the resulted coefficients and loading weights, interesting wavelength regions of nutrition in milk powder are screened and the assignment of all specific wavelengths is firstly proposed in the details associated with chemical base. Instead of the whole short-wave NIR spectral data, these assigned wavelengths which can be reliably exploited were used for the content determination. Compared with other spectroscopy technique, assigned short-wave NIR spectral wavelengths did a good work. Determination coefficients for prediction are 0.981, 0.984, and 0.982, respectively for three components. The proposed wavelength assignment in the short-wave NIR region could be used for the component contents determination of milk powder, and could be as a guidance to interpret the spectra of milk powder.     

Near-infrared reflectance spectroscopy as a fast and non-destructive tool to predict foliar organic constituents of several woody species

Near-infrared reflectance spectroscopy (NIRS) was used to estimate N, neutral detergent fibre (NDF), acid detergent fibre (ADF), lignin and cellulose contents in leaves of a heterogeneous group of 17 woody species from the Central Western region of the Iberian Peninsula. The sample set consisted of 182 samples of leaves of deciduous and evergreen species, showing a wide range of concentrations determined by reference methods: 6.60–35.2 g kg⁻¹ (N), 15.5–66.0% (NDF), 10.2–57.3% (ADF), 3.45–27.4% (lignin) and 5.79–31.3% (cellulose). Reflectance spectra, obtained for samples of dried and ground leaves, were recorded as log1/R (R=reflectance) from 1,100 to 2,500 nm. NIRS calibrations were developed using multiple linear (MLR) and partial least-squares (PLSR) regressions, and tested by external validation. Spectral data were transformed to the first and second derivative (1D, 2D). The PLSR method and derivative transformations provided the best statistics and showed lower standard errors of calibration (SEC) and higher coefficients of multiple determination (R ²). In the external validation the standard errors of prediction (SEP) were 0.76 g kg⁻¹ (N), 2.11% (NDF), 1.47% (ADF), 0.85% (lignin) and 0.86% (cellulose). The results obtained show that NIRS is very effective for the estimation of these organic constituents in leaf tissue of woody species. This technique can be used in ecological or ecophysiological studies as an alternative to the more time-consuming standard methods.     

Rapid Simultaneous Determination of Andrographolides in Andrographis paniculata by Near-Infrared Spectroscopy

The potential of near-infrared spectroscopy (NIRS) for the quality control of traditional Chinese medicine has been evaluated. Seven quantitative parameters, andrographolide, deoxyandrographolide, dehydroandrographolide, neoandrographolide, moisture, ash content, and alcohol-soluble extract of Andrographis paniculata, were evaluated by NIRS. The reference values of andrographolides were determined by high-performance liquid chromatography, and the others were obtained using the standard methods of the 2015 Chinese Pharmacopoeia. The predicted values were determined by a quantitative model using NIRS based on partial least square regression. Different spectral preprocessing methods, spectral ranges, and optimum number of factors were selected to optimize the models. All models were estimated by the combination of various parameters, including the correlation coefficient of calibration for andrographolide, deoxyandrographolide, dehydroandrographolide, neoandrographolide, moisture, ash content, alcohol-soluble extract (values of 0.980, 0.984, 0.989, 0.983, 0.987, 0.988, 0.979, respectively), root mean square error of calibration (values of 0.156, 0.038, 0.050, 0.029, 0.604, 0.431, 0.135, respectively), root mean square error of prediction (values of 0.169, 0.041, 0.050, 0.033, 0.280, 0.493, 0.140, respectively), root mean square error of cross-validation (values of 0.626, 0.114, 0.158, 0.046, 1.145, 0.774, 0.508, respectively), and ratio of standard deviation to standard error of prediction (values of 4.583, 4.690, 4.796, 4.899, 4.899, 4.690, 5.099, respectively). The results show that the calibration models by NIRS are reliable and can be applied for the quantification for seven parameters from A. paniculata for quality control in traditional Chinese medicine production and processing.     

水质监测中总磷无损的近红外光谱分析研究

本文对天然水样的近红外光谱与水样总磷（TP）含量进行了相关性研究,并建立了水质总磷的近红外光谱（NIRS）分析方法。结果表明：NIRS方法建立的定量分析模型所得TP含量与国标法得到结果的相关性达到0.908,并且在显著性水平大于0.05的条件下对NIRS方法与国标法的测定结果进行t检验,二者无显著性差异,说明了NIRS方法定量分析地表水中低含量总磷的可行性。