Journal of Near Infrared Spectroscopy最新文献

{"title":"Developing near infrared spectroscopy models for predicting chemistry and responses to stress in Pinus radiata (D. Don)","authors":"J. Nantongo, Bradley M. Potts, T. Rodemann, H. Fitzgerald, Noel W. Davies, Julianne M. O’Reilly-Wapstra","doi":"10.1177/09670335211006526","DOIUrl":"https://doi.org/10.1177/09670335211006526","url":null,"abstract":"Incorporating chemical traits in breeding requires the estimation of quantitative genetic parameters, especially the levels of additive genetic variation. This requires large numbers of samples from pedigreed populations. Conventional wet chemistry procedures for chemotyping are slow, expensive and not a practical option. This study focuses on the chemical variation in Pinus radiata, where the near infrared (NIR) spectral properties of the needles, bark and roots before and after exposure to methyl jasmonate (MJ) and artificial bark stripping (strip) treatments were investigated as an alternative approach. The aim was to test the capability of NIR spectroscopy to (i) discriminate samples exposed to MJ and strip assessed 7, 14, 21 and 28 days after treatment from untreated samples, and (ii) quantitatively predict individual chemical compounds in the three plant parts. Using principal components analysis (PCA) on the spectral data, we differentiated between treated and untreated samples for the individual plant parts. Based on partial least squares–discriminant analysis (PLS-DA) models, the best discrimination of treated from non-treated samples with the smallest root mean square error cross-validation (RMSECV) and highest coefficient of determination (r2) was achieved in the fresh needles (r2 = 0.81, RMSECV= 0.24) and fresh inner bark (r2 = 0.79, RMSECV = 0.25) for MJ-treated samples 14 days and 21 days after treatment, respectively. Using partial least squares regression, models for individual compounds gave high (r2), residual predictive deviation (RPD), lab to NIR error (PRL) or range error ratio (RER) for fructose (r2 = 0.84, RPD = 1.5, PRL = 0.71, RER = 7.25) and glucose (r2 = 0.83, RPD = 1.9, PRL = 1.14, RER = 8.50) and several diterpenoids. This provides an optimistic outlook for the use of NIR spectroscopy-based models for the larger-scale prediction of the P. radiata chemistry needed for quantitative genetic studies.","PeriodicalId":16551,"journal":{"name":"Journal of Near Infrared Spectroscopy","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2021-04-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1177/09670335211006526","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"48272074","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Rapid prediction of chemical composition and degree of starch cook of multi-species aquafeeds by near infrared spectroscopy","authors":"N. Bourne, D. Blyth, C. Simon","doi":"10.1177/0967033521999116","DOIUrl":"https://doi.org/10.1177/0967033521999116","url":null,"abstract":"Ensuring aquafeeds meet the expected nutritional and physical specifications for a species is paramount in research and for the industry. This study aimed to examine the feasibility of predicting the proximate composition and starch gelatinisation (or cook) of aquaculture feeds (aquafeeds) regardless of their intended target species by near infrared (NIR) spectroscopy. Aquafeed samples used for nutrition experiments on various aquatic species with different nutritional requirements, as well as aquafeeds manufactured under varying extrusion conditions and steaming time to generate variable starch cook were used in this study. The various size pellets were ground before scanning by NIR spectroscopy, then models were developed to estimate dry matter, ash, total lipid, crude protein, and gross energy as well as starch cook. Proximate prediction models were successfully produced for diets with R2 values between 0.88 and 0.97 (standard error of cross-validation (SECV) 0.43 to 1.46, residual predictive deviation (RPD) 4.6 to 15.6), while starch cook models were produced with R2 values between 0.91 and 0.97 (SECV 3.60 to 5.76, RPD 1.2 to 1.9). The developed NIR models allow rapid monitoring of the nutritional composition, as well as starch cook, one of the major physical properties of aquafeeds. Models that provide rapid quality control assessment of diet characteristics is highly desirable in aquaculture research and the aquafeed industry.","PeriodicalId":16551,"journal":{"name":"Journal of Near Infrared Spectroscopy","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2021-04-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1177/0967033521999116","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43831672","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Performance of near infrared spectroscopy of a solid cattle and poultry manure database depends on the sample preparation and regression method used","authors":"Fabien Gogé, L. Thuriès, Y. Fouad, N. Damay, F. Davrieux, G. Moussard, Caroline Le Roux, Séverine Trupin-Maudemain, M. Valé, T. Morvan","doi":"10.1177/09670335211007543","DOIUrl":"https://doi.org/10.1177/09670335211007543","url":null,"abstract":"Determining the chemical composition of animal manure rapidly is essential to manage fertilisation and decrease environmental pollution. Near infrared (NIR) spectroscopy is a non-destructive, inexpensive and rapid method to determine several components of manure simultaneously. This study investigated the ability of NIR spectroscopy to analyse the dry matter, total and ammonium nitrogen, phosphorus, calcium, potassium and magnesium contents in a database of heterogeneous cattle and poultry solid manures. The accuracy of calibration models obtained from different sample preparation methods (dried ground vs. fresh homogenized) and multivariate regression methods (partial least squares vs. local regression) were compared. The results showed that using local regression with NIR spectra of fresh homogenized manure could predict dry matter (R2=0.99, RMSEV = 1.64%, RPD = 13.31), total (R2=0.98, RMSEV = 0.16%, RPD = 7.11) and ammonium nitrogen (R2=0.97, RMSEV = 0.042%, RPD = 5.57) and phosphorus (R2=0.95, RMSEV = 0.10%, RPD = 5.56) contents accurately.","PeriodicalId":16551,"journal":{"name":"Journal of Near Infrared Spectroscopy","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2021-04-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1177/09670335211007543","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42652034","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Measurement of total soluble solids and moisture in puree and dry powder of Kakadu plum (Terminalia ferdinandiana) samples using hand-held near infrared spectroscopy","authors":"E. Bobasa, M. Netzel, D. Cozzolino, A. Phan, Y. Sultanbawa","doi":"10.1177/0967033520982361","DOIUrl":"https://doi.org/10.1177/0967033520982361","url":null,"abstract":"Recent research has shown the potential of portable and handheld NIR instruments to monitor and measure the composition of fruits and vegetables. Current research has also shown the possibility of using portable instruments as tools to monitor composition along the entire food value chain. The objective of this study was to evaluate two sample presentation methods (dry powder and fruit puree) to measure total soluble solids (TSS) and moisture (M) in wild harvested Kakadu plum (KP) (Terminalia ferdinandiana, Combretaceae). Kakadu plum is an endemic plant of Australia that contains high concentrations of vitamin C, ellagic acid as well as other bioactive compounds. These properties make this plant of high economic and social importance for the Aboriginal communities of Australia. Fruit samples were wild harvested in January 2020 from locations in the Kimberley region (Western Australia, Australia) and analysed using both reference and NIR spectroscopic methods. The SECV and RPD values in cross validation were 0.65% (RPD: 2.2) and 0.22% (RPD: 4.2) to predict M and TSS in the KP dry powder samples. The SECV and RPD values obtained in cross validation for the KP fruit puree samples were 0.56% (RPD: 2.8) and 0.24% (RPD: 3.8) for M and TSS, respectively. The results of this study demonstrated the ability of NIR spectroscopy to measure M and TSS in wild harvest fruit. These findings can be also utilised by the Aboriginal communities to develop a grading/sorting system to rapidly screen and evaluate relevant chemical parameters associated with fruit quality and safety.","PeriodicalId":16551,"journal":{"name":"Journal of Near Infrared Spectroscopy","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2021-04-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1177/0967033520982361","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44738945","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Defining Eucalyptus urophylla with its hybrid and the rules of genetic recombination using near infrared spectroscopy","authors":"Wanhong Lu, R. Arnold, Chubiao Wang, Yan Lin, Jianzhong Luo, R. Meder, Yan Yang","doi":"10.1177/09670335211008257","DOIUrl":"https://doi.org/10.1177/09670335211008257","url":null,"abstract":"Understanding the rules of genetic recombination in controlled pollination directly related to the selection of parental genotypes and the utilization of heterosis, and genotype identification is a primary study of the genetic rules. The aims of this study were to investigate the ability of near infrared (NIR) spectroscopy to accurately and efficiently discriminate pure species and hybrids within the genus of Eucalyptus, to evaluate the transmission of genetic pedigree in control pollination, and reveal the genetic variation within the genotypes studied. NIR spectra were collected both from fresh leaves and dried, milled leaves of seedlings from pure species E. urophylla and E. grandis, and their F1 hybrids. Principal component analysis (PCA) scores plots of NIR spectra from fresh leaves and dry, milled powder from pure species showed clear segregation, although the species clusters were scattered, suggesting different base genetics and high genetic variation within families of the two pure species. Classification using soft independent modelling of class analogy of the NIR spectra of dried leaves was significantly better than using spectra acquired on fresh leaves, meaning the water content had an effect on the analysis. The projections and orthogonal distance between hybrids and parents, as calculated using PCA models, demonstrated the visualized spectral distance between each hybrid and the parents was very different. Clouds of individuals within a hybrid clusters varied from tightly packed to scattered, which reflected the genetic additive effects inherited from female and male parents were different, and their genetic variation was also different after genetic recombination. The varying response values for partial least squares discriminant analysis prediction verified the conclusions shown by projections and orthogonal distance. The results of this study demonstrate the potential of using NIR spectroscopy to rapidly discriminate taxon. The application of NIR spectroscopy to non-destructively confirm taxonomic identity will greatly facilitate the evaluation of the genetic basis and genetic variation available within breeding populations and for accessing the levels of contamination by non-target pollen in control pollination.","PeriodicalId":16551,"journal":{"name":"Journal of Near Infrared Spectroscopy","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2021-04-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1177/09670335211008257","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46673783","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Aging of polypropylene probed by near infrared spectroscopy","authors":"H. Shinzawa, Ryota Watanabe, S. Yamane, Maito Koga, Hideaki Hagihara, Junji Mizukado","doi":"10.1177/0967033521999115","DOIUrl":"https://doi.org/10.1177/0967033521999115","url":null,"abstract":"This paper describes the first in-depth attempt to characterize thermally induced aging of polypropylene (PP) samples by near infrared (NIR) spectroscopy. Significant levels of variation in NIR bands associated with short (amorphous-dominated) and long (crystalline-dominated) helices was readily captured when PP samples were subjected to thermal aging treatment. Partial least squares (PLS) regression models derived from the NIR spectra indicated significant level of correlation between the actual and predicted elongations of the samples. Analysis of PLS scores and two-dimensional (2D) correlation spectra derived from the aged PP samples revealed inner working mechanism of the regression model. Namely, the aging treatment essentially induces compositional change in crystalline and amorphous structures of the PP samples, which eventually affect the variation of the PLS scores. Thus, by utilizing the scores, it becomes possible to predict the change in the elongation property of the aged PP sample.","PeriodicalId":16551,"journal":{"name":"Journal of Near Infrared Spectroscopy","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2021-04-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1177/0967033521999115","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44179597","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Near infrared spectroscopy of plantation forest soil nutrients in Sabah, Malaysia, and the potential for microsite assessment","authors":"Hamzad Fahmi Ahmad Jani, R. Meder, H. A. Hamid, S. M. Razali, K. Yusoff","doi":"10.1177/09670335211007673","DOIUrl":"https://doi.org/10.1177/09670335211007673","url":null,"abstract":"Knowledge of soil physical and chemical properties is vital to the optimal growing performance of agricultural crops, including plantation forest trees. Near infrared (NIR) spectroscopy has been shown to be a tool that enables rapid and low-cost assessment of soils, however its use in forest plantations has been slow to develop. This study shows the development of calibrations for total organic carbon, total nitrogen and soil pH using a handheld NIR spectrometer for soils at three sites in Sabah, Malaysia. Soil samples were collected, dried, milled and scanned after which they were analysed using standard chemical methods to obtain total organic carbon (TOC) and total nitrogen (TN). Partial least squares regression was used to develop calibrations between reference data and NIR spectra and validated using an independent sample set. The calibration of soil pH is made using a subset of samples across A- and B-horizons for samples from two of the three sites. The most effective spectral pre-treatment was the standard normal variate for TOC and TN while the Savitzky-Golay first derivative was the best pre-treatment for predicting soil pH. Principal component analysis was performed on the raw NIR spectra of all samples to confirm that the samples from different sites were able to be used in a single regression analysis. Kennard-Stone selection was used to create calibration sets and validation sets from the combined spectra from all sites and both soil horizons. Calibrations were also developed independently on the A- and B-horizon samples, but there were insufficient sample numbers to utilize an independent validation set. The coefficients of determination for the validation set (r2p) were 0.77 and 53 for TOC and TN respectively while the root mean square error of prediction (RMSEP) was 0.44 g 100 g−1 for TOC and 0.051 g 100 g−1 for TN. In addition, it showcases the application of these calibrations to provide spatial assessment of two differing micro-sites within a single Eucalyptus pellita progeny breeding trial. Combined with the potential to monitor foliar nutrients, the ability to obtain high spatial details of soil composition will assist tree plantation growers and also other agricultural producers, such as oil palm plantation managers, to better manage their soil and fertiliser regimes.","PeriodicalId":16551,"journal":{"name":"Journal of Near Infrared Spectroscopy","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2021-04-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1177/09670335211007673","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43081120","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A simple multiple linear regression model in near infrared spectroscopy for soluble solids content of pomegranate arils based on stability competitive adaptive re-weighted sampling","authors":"Zhaoqiong Jiang, Yiping Du, F. Cheng, Feiyu Zhang, Wuye Yang, Yinran Xiong","doi":"10.1177/0967033520982366","DOIUrl":"https://doi.org/10.1177/0967033520982366","url":null,"abstract":"The objective of this study was to develop a multiple linear regression (MLR) model using near infrared (NIR) spectroscopy combined with chemometric techniques for soluble solids content (SSC) in pomegranate samples at different storage periods. A total of 135 NIR diffuse reflectance spectra with the wavelength range of 950-1650 nm were acquired from pomegranate arils. Based upon sampling error profile analysis, outlier diagnosis was conducted to improve the stability of the model, and four outliers were removed. Several pretreatment and variable selection methods were compared using partial least squares (PLS) regression models. The overall results demonstrated that the pretreatment using the first derivative (1D) was very effective and the variable selection method of stability competitive adaptive re-weighted sampling (SCARS) was powerful for extracting feature variables. The equilibrium performance of 1D-SCARS-PLS regression model over ten repeats was similar to 1D-PLS regression model, so that the advantage of wavelength selection was inconspicuous in PLS regression model. However, the number of variables selected by 1D-SCARS was less than 9, which was enough to establish a simple MLR model. The performance of MLR model for SSC of pomegranate arils based on 1D-SCARS achieved a root-mean-square error of calibration of 0.29% and prediction of 0.31%. This strategy combining variable selection method with MLR may have a broad prospect in the application of NIR spectroscopy due to its simplicity and robustness.","PeriodicalId":16551,"journal":{"name":"Journal of Near Infrared Spectroscopy","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2021-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1177/0967033520982366","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42444228","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"On-line identification of silkworm pupae gender by short-wavelength near infrared spectroscopy and pattern recognition technology","authors":"Yue Ma, Yichao Xu, Hui Yan, Guozheng Zhang","doi":"10.1177/0967033521999745","DOIUrl":"https://doi.org/10.1177/0967033521999745","url":null,"abstract":"The gender identification of silkworm pupae is a critical step in the sericulture industry's breeding process. In this study, a low cost, short-wavelength (815-1075 nm) near infrared (NIR) spectrometer combined with multivariate spectra evaluation methods was used to establish calibration models for the on-line identification of female and male pupae of eight silkworm varieties. The diffuse reflection short-wavelength spectra were recorded, and then principal component analysis (PCA), linear discriminant analysis (LDA), and partial least squares discriminant analysis (PLSDA) were tested for calibration model development. The PCA and LDA results showed, that spectral differences between the female and male silkworm pupae existed, however, the two evaluation techniques could not separate the female and male silkworm pupae with the required accuracy. The PLSDA calibration models, on the other hand, could separate the pupae according to their gender with the necessary prediction accuracy of >98%. Thus, it has been proved, that a low-cost, short-wavelength range NIR spectrometer in combination with a PLSDA calibration routine can be successfully applied for the reliable on-line identification of female and male silkworm pupae.","PeriodicalId":16551,"journal":{"name":"Journal of Near Infrared Spectroscopy","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2021-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1177/0967033521999745","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46940568","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Non-destructive estimation of fibre morphological parameters and chemical constituents of Tectona grandis L.f. wood by near infrared spectroscopy","authors":"S. Shukla, S. Shashikala, M. Sujatha","doi":"10.1177/0967033521999118","DOIUrl":"https://doi.org/10.1177/0967033521999118","url":null,"abstract":"Near infrared (NIR) spectroscopy is developing as an advanced and non-invasive tool in the wood, wood products and forestry sectors. It may be applied as a rapid and cost effective technique for assessment of different wood quality parameters of timber species. In the present study, NIR spectra of heartwood samples of Tectona grandis (teak) were collected before measuring fibre morphological parameters (fibre length, fibre diameter and fibre lumen diameter)and main chemical constituents (cellulose, hemicellulose, lignin and extractives) using maceration and wet chemistry methods respectively. Multivariate partial least squares (PLS) regression was applied to develop the calibration models between measured values of wood parameters and NIR spectral data. Pre-processing of NIR spectra demonstrated better predictions based on higher values of correlation coefficient for estimation (R2), validation (Rcv 2 ), ratio of performance to deviation (RPD), and lower values of root mean square errors of estimation (RMSEE), cross-validation (RMSECV) and number of latent variable (rank). Internal cross-validation was used to find the optimum rank. Robust calibrations models with high R2 (>0.87), low errors and high RPD values (> 2.93) were observed from PLS analysis for fibre morphological parameters and main chemical constituents of teak. These linear models may be applied for rapid and cost effective estimation of different fibre parameters and chemical constituents in routine testing and evaluation procedures for teak.","PeriodicalId":16551,"journal":{"name":"Journal of Near Infrared Spectroscopy","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2021-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1177/0967033521999118","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46141594","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}