Calibration transfer of near-infrared spectroscopy by canonical correlation analysis coupled with wavelet transform

Calibration transfer for use with spectroscopic instruments, particularly for near-infrared, infrared, and Raman analysis, has been the subject of multiple articles, research papers, book chapters, and technical reviews. There has been a myriad of approaches published and claims made for resolving the problems associated with transferring calibrations; however, the capability of attaining identical results over time from two or more instruments using an identical calibration still eludes technologists. Calibration transfer, in a precise definition, refers to a series of analytical approaches or chemometric techniques used to attempt to apply a single spectral database, and the calibration model developed using that database, for two or more instruments, with statistically retained accuracy and precision. Ideally, one would develop a single calibration for any particular application, and move it indiscriminately across instruments and achieve identical analysis or prediction results. There are many technical aspects involved in such precision calibration transfer, related to the measuring instrument reproducibility and repeatability, the reference chemical values used for the calibration, the multivariate mathematics used for calibration, and sample presentation repeatability and reproducibility. Ideally, a multivariate model developed on a single instrument would provide a statistically identical analysis when used on other instruments following transfer. This paper reviews common calibration transfer techniques, mostly related to instrument differences, and the mathematics of the uncertainty between instruments when making spectroscopic measurements of identical samples. It does not specifically address calibration maintenance or reference laboratory differences.

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“…Furthermore, WTCCA was also reported to be applicable to calibration transfer for on-line and in-line applications. 41…”

Section: Mathematical Correction or Standardization Methodsmentioning

confidence: 99%

A Review of Calibration Transfer Practices and Instrument Differences in Spectroscopy

Workman

2017

Appl Spectrosc

140

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“…However, even though the NIRS technology is fast and robust, the applicability of NIRS model should be evaluated before being used for prediction. The applicability of NIRS model is influenced by spectral variation range of calibration set and testing set, instrument, and testing environment [ 40 ]. In this study, we kept the same instrument and method as previously described by Huang et al [ 34 ].…”

Section: Discussionmentioning

confidence: 99%

Integrated NIRS and QTL assays reveal minor mannose and galactose as contrast lignocellulose factors for biomass enzymatic saccharification in rice

Wang

Liu

et al. 2021

Biotechnol Biofuels

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Background Identifying lignocellulose recalcitrant factors and exploring their genetic properties are essential for enhanced biomass enzymatic saccharification in bioenergy crops. Despite genetic modification of major wall polymers has been implemented for reduced recalcitrance in engineered crops, it could most cause a penalty of plant growth and biomass yield. Alternatively, it is increasingly considered to improve minor wall components, but an applicable approach is required for efficient assay of large population of biomass samples. Hence, this study collected total of 100 rice straw samples and characterized all minor wall monosaccharides and biomass enzymatic saccharification by integrating NIRS modeling and QTL profiling. Results By performing classic chemical analyses and establishing optimal NIRS equations, this study examined four minor wall monosaccharides and major wall polymers (acid-soluble lignin/ASL, acid-insoluble lignin/AIL, three lignin monomers, crystalline cellulose), which led to largely varied hexoses yields achieved from enzymatic hydrolyses after two alkali pretreatments were conducted with large population of rice straws. Correlation analyses indicated that mannose and galactose can play a contrast role for biomass enzymatic saccharification at P < 0.0 l level (n = 100). Meanwhile, we found that the QTLs controlling mannose, galactose, lignin-related traits, and biomass saccharification were co-located. By combining NIRS assay with QTLs maps, this study further interpreted that the mannose-rich hemicellulose may assist AIL disassociation for enhanced biomass enzymatic saccharification, whereas the galactose-rich polysaccharides should be effectively extracted with ASL from the alkali pretreatment for condensed AIL association with cellulose microfibrils. Conclusions By integrating NIRS assay with QTL profiling for large population of rice straw samples, this study has identified that the mannose content of wall polysaccharides could positively affect biomass enzymatic saccharification, while the galactose had a significantly negative impact. It has also sorted out that two minor monosaccharides could distinctively associate with lignin deposition for wall network construction. Hence, this study demonstrates an applicable approach for fast assessments of minor lignocellulose recalcitrant factors and biomass enzymatic saccharification in rice, providing a potential strategy for bioenergy crop breeding and biomass processing.

show abstract

“…However, even though the NIRS technology is fast and robust, the applicability of NIRS model should be evaluated before being used for prediction. The applicability of NIRS model is in uenced by spectral variation range of calibration set and testing set, instrument and testing environment [40]. In this study, we kept the same instrument and method as previously described by Huang et al [34].…”

Section: Discussionmentioning

confidence: 99%

Integrated NIRS and QTL assays reveal minor mannose and galactose as contrast lignocellulose factors for biomass enzymatic saccharification in rice

Wang

Liu

et al. 2021

Preprint

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Background: Identifying lignocellulose recalcitrant factors and exploring their genetic properties are essential for enhanced biomass enzymatic saccharification in bioenergy crops. Despite genetic modification of major wall polymers has been implemented for reduced recalcitrance in engineered plant, it could most cause a penalty of plant growth and biomass yield. Alternatively, it is increasingly considered to improve minor wall components, but an applicable approach is required for efficient assay of large population of biomass samples. Hence, this study collected total 100 rice straw samples and characterized all minor wall monosaccharides and biomass enzymatic saccharification by integrating NIRS modeling and QTL profiling. Results: By performing classic chemical analyses and establishing optimal NIRS equations, this study examined a diversity of four minor wall monosaccharides and major wall polymers (acid-soluble lignin/ASL, acid-insoluble lignin/AIL, three lignin monomers, crystalline cellulose), which led to largely varied hexoses yields achieved from enzymatic hydrolyses after two alkali pretreatments were conducted with all rice straws. Correlation analyses indicated that mannose and galactose could play a contrast role for biomass enzymatic saccharification at P < 0.0l level (n=100). Meanwhile, this study found that QTLs controlling mannose, galactose, lignin-related traits and biomass saccharification were co-located. Notably, by combining NIRS assay with QTLs maps, this study interpreted that the mannose-rich hemicellulose may assist AIL disassociation for enhanced biomass enzymatic saccharification, whereas the galactose-rich polysaccharides should be effectively extracted with ASL from alkali pretreatment for condensed AIL association with cellulose microfibrils against enzymatic hydrolysis. Conclusions: By integrating NIRS assay with QTL profiling for large population of rice straw samples, this study identified that the mannose of wall polysaccharides could positively affect biomass enzymatic saccharification, whereas the galactose had a significantly negative impact. It also sorted out that two minor monosaccharides should distinctively associate with lignin deposition for wall network construction. Hence, this study has demonstrated an applicable approach for fast assessments of minor lignocellulose recalcitrant factors and biomass enzymatic saccharification in rice, and it has also provided a potential strategy for bioenergy crop breeding.

show abstract

Calibration transfer of near-infrared spectroscopy by canonical correlation analysis coupled with wavelet transform

Cited by 34 publications

References 37 publications

A Review of Calibration Transfer Practices and Instrument Differences in Spectroscopy

A Review of Calibration Transfer Practices and Instrument Differences in Spectroscopy

Integrated NIRS and QTL assays reveal minor mannose and galactose as contrast lignocellulose factors for biomass enzymatic saccharification in rice

Integrated NIRS and QTL assays reveal minor mannose and galactose as contrast lignocellulose factors for biomass enzymatic saccharification in rice

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