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By controlling the blood glucose levels of diabetics permanent diabetes-related problems such as blindness and loss of limbs can be delayed or even avoided. Therefore, many researchers have aimed at the development of a non-invasive sensor to monitor the blood glucose level continuously. As non-invasive measurements through the skin, the ear lobe or the gums have proven to be either unreliable or impractical, attention has recently shifted to minimally invasive sensors which measure the glucose content in serum or interstitial fluid. Thanks to the development of on-chip spectrometers minimally invasive, implantable devices are coming within reach. However, this technology does not allow to acquire a large number of wavelengths over a broad range. Therefore, the most informative combination of a limited number of variables should be selected. In this study, Interval PLS (iPLS), Variable Importance in Projection (VIP), Uninformative Variable Elimination (UVE), Bootstrap-PLS coefficients, Moving window, CorXyPLS, Interval Random Frog-PLS and combinations of these methods were used in order to address the question whether the short wave band (800–1500 nm), first overtone band (1500–1800 nm), the combination band (2050–2300 nm) or a combination of them is the most informative region for glucose measurements and which wavebands should be measured within these wavelength ranges. The three different data sets employed focus on the determination of (1) glucose in aqueous solutions over the 1–30 mM range in presence of urea and sodium D -lactate, (2) glucose in aqueous solutions over the 2–16 mM range in presence of icodextrin and urea and (3) glucose in human serum samples. The best results for the first, second and third data sets were obtained by selecting 40, 130 and 20 variables resulting in a PLS model with an RMSEP of 0.56, 0.59 and 1.5 mM, respectively. It was found that the first overtone band is most informative for aqueous solutions, while for glucose measurement of serum samples the combination band was found to be the better choice. [ABSTRACT FROM AUTHOR]

Abstract: Owing to spectral variations from other sources than the component of interest, large investments in the NIR model development may be required to obtain satisfactory and robust prediction performance. To make the NIR model development for routine active pharmaceutical ingredient (API) prediction in tablets more cost-effective, alternative modelling strategies were proposed. They used a massive amount of prior spectral information on intra- and inter-batch variation and the pure component spectra to define a clutter, i.e., the detrimental spectral information. This was subsequently used for artificial data augmentation and/or orthogonal projections. The model performance improved statistically significantly, with a 34–40% reduction in RMSEP while needing fewer model latent variables, by applying the following procedure before PLS regression: (1) augmentation of the calibration spectra with the spectral shapes from the clutter, and (2) net analyte pre-processing (NAP). The improved prediction performance was not compromised when reducing the variability in the calibration set, making exhaustive calibration unnecessary. Strong water content variations in the tablets caused frequency shifts of the API absorption signals that could not be included in the clutter. Updating the model for this kind of variation demonstrated that the completeness of the clutter is critical for the performance of these models and that the model will only be more robust for spectral variation that is not co-linear with the one from the property of interest. [Copyright &y& Elsevier]

• A fiber-optic spatially-resolved spectroscopy (SRS) setup measured milk NIR spectra. • The setup evaluated 30 different illumination-to-detection distances (1.1–4 mm) • Shorter illumination-to-detection distances were optimal for lactose prediction. • Larger illumination-to-detection distances were optimal for fat and protein. • The accuracy of the composition predictions are well within the ICAR requirements. To support in-line quality control of raw milk and ensure the close monitoring of the metabolic and udder health of dairy cows, we propose a fiber-optic spatially-resolved spectroscopy (SRS) setup. This setup allows to vary the interaction of long-wave near-infrared (LW-NIR) light with the milk by submerging a separate optical illumination and detection fiber into the sample and altering their relative distance to optimize measurements for specific milk component(s). We evaluated this approach for predicting milk fat, protein, and lactose content and determined the optimal illumination-to-detection distances for each milk component. The region between 1.1 and 1.8 mm was optimal for lactose, and between 2.2 and 3.8 mm for fat and protein. These distance ranges resulted in a root-mean-square error of prediction (RMSEP) of less than 0.10 % weight/weight (wt/wt) for milk fat, and lower than 0.13 % (wt/wt) for protein and lactose. Integration of these distances into a fiber-optic SRS reflectance probe would allow to simultaneously determine the fat, protein, and lactose content of raw milk in-line with high accuracy. [ABSTRACT FROM AUTHOR]

Temperature fluctuation commonly occurs in the cold chain leading to complete or partial thawing and refreezing of frozen products resulting in a multifrozen product. Such oscillation of temperature could cause significant quality reduction compared to single frozen products. This study was designed to differentiate frozen Atlantic salmon fillets based on the level of temperature fluctuation. Near‐infrared spectroscopy (NIRS) coupled with chemometrics was used to classify the frozen fillets stored at no fluctuation (NF), low fluctuation (LF), high fluctuation (HF), and very high fluctuation (VF) temperature. Using spectral profiles obtained at both frozen and thawed states, fillets were classified based on the level of temperature fluctuation by partial least squares discriminant analysis (PLS‐DA). The thawed samples showed better classification accuracy (71%) than frozen samples (66%) in a four‐class model. Considering the small variation within the first two (NF, LF) and the last two (HF, VF) groups, a two‐class classification model was developed using thawed samples, and the obtained model correctly classified the two groups ([NF, LF] and [HF, VF]) with 100 % classification accuracy. Protein‐ and water‐related changes were found important to distinguish the fillets. Based on these findings, the four‐class prediction model is found insufficient to be used for nondestructive determination of temperature history of frozen fillets. However, the two‐class prediction model with further external validation can be applied to determine the level of temperature fluctuation particularly using fillets scanned at thawed state. Practical Application: NIR spectroscopy can be used to evaluate the degree of temperature fluctuation and thus related quality loss throughout the logistics of frozen Atlantic salmon fillets. Researchers, food control authorities, and the retail industry could be the primary beneficiaries of this research output. [ABSTRACT FROM AUTHOR]

The sugar profile of a syrup determines its suitability for use in different food applications. The traditional wet chemical method for sugar profile analysis is time-consuming, destructive, and requires several chemical reagents. Therefore, this study aimed to develop a rapid method for determining the concentration of the main sugars (glucose, maltose, maltotriose, and fructose) in tapioca syrups using NIR spectroscopy in the 12000–4000 cm−1 wavenumber region or 800–2500 nm wavelength range. As large spectral variation due to water and liquid glucose was observed, orthogonal projection (OP) was evaluated to reduce those effects. Results showed that for all sugars studied, orthogonal projection prior to partial least squares regression (PLSR) improved the prediction performance in terms of the root mean square error of prediction (RMSEP) by 5–47% and the coefficient of determination for prediction (R p 2) by 3–7%. The developed models had high R p 2 and low RMSEP values, which provides opportunities for industrial monitoring of the sugar profiles of tapioca syrup products. • NIR spectroscopy allows quantifying many sugars in tapioca syrups. • Interference removal by orthogonal projection enhances prediction of syrup sugars. • High-accuracy prediction models for the individual sugars were built by using PLSR. • Identification of important wavelengths for syrup sugar profiling was established. [ABSTRACT FROM AUTHOR]

Spectroscopy in the visible near-infrared spectral (Vis-NIRS) range combined with imaging techniques (hyperspectral imaging, HSI) allows assessment of chemical composition, texture, and meat structure. The use of HSI in the meat and food industry has observed a significant growth in the last decade, yet its use for assessment of meat it is not optimal yet. The application of HSI for assessment of meat is reviewed with focus on its ability to capture meat unique chemical and structural characteristics. While HSI is widely used for assessment of chemical composition, a limited number of evidences on its ability to handle the effect of different sources of variation on the assessment is found. The use of spatially resolved spectroscopy has been able to detect structural information related to animal background, muscle type, rigor process and ageing. Similarly the use of texture features seem to capture unique characteristics of meat. [ABSTRACT FROM AUTHOR]

Diabetes, a disorder in the control of blood-glucose levels, is one of the most serious metabolic diseases worldwide. Among the investigated technologies for continuous glucose monitoring (CGM), near-infrared spectroscopy (NIR) has received the most attention. There have been many attempts to develop NIR-based CGM systems with promising in-vitro results, but they lacked robustness for in-vivo use. We critically review the application of chemometrics for CGM and the research needed. Pre-processing and multivariate-calibration techniques, which allow exploiting expert knowledge on the potential interferences, are possible solutions. The combination and first overtone bands in the ranges 2050–2300 nm and 1500–1800 nm, respectively, are the most informative regions. We therefore recommended selecting the most informative variables and exploiting the available expert knowledge on known interferences in pre-processing or multivariate calibration to develop an NIR-based CGM sensor for in-vivo use. [ABSTRACT FROM AUTHOR]

The size of colloidal particles in food products has a considerable impact on the product's physicochemical, functional and sensory characteristics. Measurement techniques to monitor the size of suspended particles could, therefore, help to further reduce the variability in production processes and promote the development of new food products with improved properties. Visible and near-infrared (Vis/NIR) spectroscopy is already widely used to measure the composition of agricultural and food products. However, this technology can also be consulted to acquire microstructure-related scattering properties of food products. In this study, the effect of the fat globule size on the Vis/NIR bulk scattering properties of milk was investigated. Variability in fat globule size distribution was created using ultrasonic homogenization of raw milk. Reduction of the fat globule size resulted in a higher wavelength-dependency of both the Vis/NIR bulk scattering coefficient and the scattering anisotropy factor. Moreover, the anisotropy factor and the bulk scattering coefficients for wavelengths above 600 nm were reduced and were dominated by Rayleigh scattering. Additionally, the bulk scattering properties could be well ( R 2 ≥ 0.990) estimated from measured particle size distributions by consulting an algorithm based on the Mie solution. Future research could aim at the inversion of this model to estimate the particle size distributions from Vis/NIR spectroscopic measurements. [ABSTRACT FROM AUTHOR]

The conventional methods frequently used in Cuba to determine some fertility parameters important for sugarcane production, such as organic matter (OM), available phosphorus (P) and potassium (K2O), are difficult, costly, and time-consuming procedures. This study was undertaken to build and validate Visible/Near Infrared Reflectance (Vis/NIR) calibration models of these parameters at landscape level and within a field, by taking into consideration their correlation coefficients with the OM. The parameters P and K2O, which are not spectrally active in the Vis/NIR range should be better predicted when are highly correlated with OM. Also, the wavelength intervals to simplify this methodology were selected. Samples were air-dried before scanning using a diode array spectrophotometer covering the wavelength range from 399 to 1697 nm. The regression models were built by using the linear multivariate regression method Partial Least Squares (PLS), and the nonlinear multivariate regression methods Support Vector Machines (SVM) and Locally Weighted Regression (LWR). At landscape level the best correlations between soil spectra and OM (0.90 ≤ R2 ≤ 0.93; 0.12 ≤ RMSEP≤0.14) were obtained with LWR, followed by K2O with LWR (0.77 ≤ R2 ≤ 0.79; 3.47 ≤ RMSEP≤3.62), Olsen P (0.69 ≤ R2 ≤ 0.81; 0.27 ≤ RMSEP≤0.35) and Oniani P (0.64 ≤ R2 ≤ 0.65; 3.31 ≤ RMSEP≤3.61) both with SVM. Also, the nonlinear regression models gave the best results within a field. The higher values for OM (R2 = 0.92; RMSEP = 0.14) and Olsen P (0.68 ≤ R2 ≤ 0.83; 0.27 ≤ RMSEP≤0.34) were observed with SVM, while for K2O (0.16 ≤ R2 ≤ 0.63; 5.13 ≤ RMSEP≤5.88), and Oniani P (0.70 ≤ R2 ≤ 0.72; 2.32 ≤ RMSEP≤2.52) were obtained with LWR. The soil fertility parameters studied at landscape level and within a field were best estimated by using nonlinear regression models. [ABSTRACT FROM AUTHOR]

Near-infrared (NIR) spectra of human blood serum consist of overlapping strong absorption bands of water and serum proteins, which affect the ability of multivariate calibration models to predict glucose. Furthermore, serum proteins such as albumin and globulins undergo a glycation reaction by forming covalent bonds with freely available glucose molecules in the serum. In diabetic individuals with poor glucose control, more and more serum protein molecules react with glucose, resulting in a high glycated protein concentration. The glucose molecules covalently bonded to serum proteins might contribute to the overall glucose signal acquired by NIR spectroscopy. This might affect the prediction ability of multivariate calibration models such as partial least squares regression (PLSR). In this study, we investigated the effect of total protein concentration and the glycated protein concentration in blood serum on the prediction ability of PLSR calibration models. Serum samples were subjected to ultra-filtration, and the PLSR model was built using NIR spectra of filtered serum solutions. Prediction performance was found to improve by 39-42% in absence of serum protein molecules. Various experimental data set designs were generated by carefully varying the glycated serum protein concentration in calibration and test sets of PLSR models. This investigation revealed that the impact of varying glycated protein concentration on the root mean square error of prediction was not drastic. To test the statistical significance of the prediction results, a multiple linear regression model was built. The glycated serum protein concentration was found to be statistically insignificant (p= 0.86) in predicting glucose concentration. Overall, it was concluded that the glycated serum proteins do not affect the glucose prediction accuracy of PLSR models using NIR spectra of human serum. [ABSTRACT FROM AUTHOR]

Highlights: [•] Vis/NIR spectroscopy can be successfully used to detect flaws in hazelnut. [•] Features were selected within the 550–600nm and 1150–1650nm spectral bands. [•] Features correspond to overtones of O H and C H stretches and deformations. [Copyright &y& Elsevier]

Highlights: [•] NIR methods for non-destructive composition analysis of oranges was investigated. [•] NIR with emission head gave best predictions of mass, colour index and vitamin C. [•] Using an integrating sphere gave best prediction of TSS. [•] NIR with emission head can evaluate external and internal characteristics. [ABSTRACT FROM AUTHOR]

• Bean type had a significant effect on tannins contents. • Phytate to iron and phytate to zinc molar ratios of raw beans were high. • NIR spectroscopy predicted antinutrient to mineral molar ratios of raw beans. • Ability to predict antinutrient influenced prediction of molar ratios using NIR. The presence of antinutrients in common beans negatively affects mineral bioavailability. Therefore, this study aimed to predict the antinutrient to mineral molar ratios (proxy-indicators of in vitro mineral bioavailability) of a wide range of raw bean types, using near-infrared (NIR) spectroscopy. Iron, zinc, phytate and tannin concentrations and, antinutrient to mineral molar ratios were determined. Next, model calibration using NIR spectra from milled beans was performed. This entailed wavelength selection, pre-processing and partial least squares regression. Bean type had a significant effect on tannin content. The average values of phytate to iron (Phy:Fe), phytate to zinc (Phy:Zn), tannins to iron (Tan:Fe) and phytate and tannins to iron (Phy + Tan:Fe) MRs were 27.6, 61.7, 16.0 and 43.6, respectively. With determination coefficients for test set prediction above 75%, the PLS-R models for Phy:Zn, Tan:Fe and Phy + Tan:Fe molar ratios are useful for screening purposes. [ABSTRACT FROM AUTHOR]

Abstract: Optical properties of pig subcutaneous adipose tissue were estimated using double integrating sphere (DIS) measurements in combination with an inverse adding doubling (IAD) light propagation model. Total reflectance, total transmittance and unscattered transmittance were measured for the wavelength range 1150–2250nm with 10nm resolution. These measurements were used to estimate the bulk optical properties (absorption coefficient, scattering coefficient and anisotropy factor) of 10 Iberian pig adipose tissue samples. The estimated absorption coefficient spectra were dominated by water and lipid absorption bands, the main chemical components of the adipose tissue. These values showed a suitable match with the theoretical values calculated based on the average composition of the tissue. The obtained scattering coefficient spectra showed a smooth decrease with increasing wavelength, which is typical for biological tissues. The anisotropy factor spectra of adipose tissue were obtained, which describe the angular scattering pattern, instead of using a fixed value for the estimation procedure. The optical characterization described in this paper is crucial for a better understanding of the impact of pure absorption and scattering on the NIR spectra collected by a single measurement in the laboratory, process line at the slaughterhouse or on the farm. Moreover, the estimated data reported in this study would promote a more efficient sensor design and data processing optimization. Industrial relevance: This paper provides an optical characterization (absorption, scattering and angular scattering distribution) of pig adipose tissues in a wide near-infrared wavelength range (1150–2250nm) based on a novel spectroscopic setup. The estimated data reported are relevant to promote the design of innovative NIRS sensors and the development of new modeling procedures in order to optimize the non-destructive analysis of intact adipose tissues. This can have an important impact on the implementation of NIRS quality control systems in the agro-industry. [Copyright &y& Elsevier]

The global citrus industry is continually confronted by new technological challenges to meet the ever-increasing consumer awareness and demand for quality-assured fruit. To face these challenges, recent trend in agribusiness is declining reliance on subjective assessment of quality and increasing adoption of objective, quantitative and non-destructive techniques of quality assessment. Non-destructive instrument-based methods are preferred to destructive techniques because they allow the measurement and analysis of individual fruit, reduce waste and permit repeated measures on the same item over time. A wide range of objective instruments for sensing and measuring the quality attributes of fresh produce have been reported. Among non-destructive quality assessment techniques, near-infrared (NIR) spectroscopy (NIRS) is arguably the most advanced with regard to instrumentation, applications, accessories and chemometric software packages. This paper reviews research progress on NIRS applications in internal and external quality measurement of citrus fruit, including the selection of NIR characteristics for spectra capture, analysis and interpretation. A brief overview on the fundamental theory, history, chemometrics of NIRS including spectral pre-processing methods, model calibration, validation and robustness is included. Finally, future prospects for NIRS-based imaging systems such as multispectral and hyperspectral imaging as well as optical coherence tomography as potential non-destructive techniques for citrus quality assessment are explored. [ABSTRACT FROM AUTHOR]

Abstract: The effect of cultivar, season, shelf-life and origin on the accuracy of near infrared (NIR) calibration models for the soluble solids content (SSC) and firmness of apple was studied based on a large spectral data set based on approximately 6000 apple fruit from different cultivars, origins, shelf-life exposure time and seasons. To interpret the variance in the spectra with respect to biological variability, functional analysis of variance (FANOVA) was used. From the FANOVA analysis it was concluded that the effects of cultivar, origin and shelf-life exposure time on the NIR spectra were all significant. The largest differences in the spectra were found around the water absorption peaks (970, 1170 and 1450nm). External validations using independent data sets showed that the accuracy of the models increased considerably when more variability was included in the calibration data set. In general the RMSEP for predictions of the SSC were in the range 0.6–0.8°Brix, while for Magness Taylor firmness it was 5.9–8.8N, depending on the cultivar. It was shown that atypical data can lead to large validation errors. It is, therefore, important to collect a calibration data set which is sufficiently representative for future samples to be analyzed with the developed calibration models and to develop simple procedures for model adaptation during practical use. [Copyright &y& Elsevier]

Abstract: Continuous wave (CW) and time-resolved (TRS) near infrared (NIR) reflectance measurements were carried out on ‘Conference’ pear fruit. While the absorption coefficient spectra obtained from the TRS measurements were dominated by the overtone of the hydroxyl moiety at 975nm, the scattering coefficient spectra were almost flat. The spectral data were used to construct calibration models for the soluble solids content (SSC) and Magness Taylor firmness of ‘Conference’ pear fruit. Reasonable models for SSC (RMSEP=0.44 °Brix) were obtained when the CW spectra in the range 780–1700nm were used, but not when the range was limited to that of the TRS equipment (875–1030nm). No satisfactory calibration model could be established between the TRS absorption coefficient spectrum and SSC. With none of the spectroscopic techniques could significant calibration models for firmness be constructed, although a highly nonlinear relationship between scattering coefficients at 900nm and firmness was observed. [Copyright &y& Elsevier]

Abstract: An overview is given of near infrared (NIR) spectroscopy for use in measuring quality attributes of horticultural produce. Different spectrophotometer designs and measurement principles are compared, and novel techniques, such as time and spatially resolved spectroscopy for the estimation of light absorption and scattering properties of vegetable tissue, as well as NIR multi- and hyperspectral imaging techniques are reviewed. Special attention is paid to recent developments in portable systems. Chemometrics is an essential part of NIR spectroscopy, and the available preprocessing and regression techniques, including nonlinear ones, such as kernel-based methods, are discussed. Robustness issues due to orchard and species effects and fluctuating temperatures are addressed. The problem of calibration transfer from one spectrophotometer to another is introduced, as well as techniques for calibration transfer. Most applications of NIR spectroscopy have focussed on the nondestructive measurement of soluble solids content of fruit where typically a root mean square error of prediction of 1° Brix can be achieved, but also other applications involving texture, dry matter, acidity or disorders of fruit and vegetables have been reported. Areas where more research is required are identified. [Copyright &y& Elsevier]

The cooking time of common beans is influenced by genotype and storage conditions. This study aimed to use near-infrared (NIR) spectra of milled, freshly harvested (fresh) beans to predict their cooking times and their susceptibility to develop the storage-induced, hard-to-cook (HTC) defect. The physical characteristics of bean accessions, from two different seasons, were evaluated. The cooking times and susceptibility to HTC (determined by aging under standard adverse conditions) of the aforesaid beans were correlated to NIR spectra to develop calibrations using variable selection and partial least squares regression. The beans exhibited diverse physical characteristics, cooking times and susceptibility to HTC. The models predicting cooking times of fresh beans sufficiently overcame genotype and seasonal differences (R2 P = 0.73, RMSEP = 4 min). The susceptibility of fresh beans to HTC was also successfully predicted (R2 CV = 0.8, RSECV = 64%). NIR spectroscopy has high potential to rapidly identify beans with short cooking times and low susceptibility to HTC at harvest. • Bean type had a significant effect on the physical characteristics of the accessions. • Cooking times of fresh beans were predicted from NIR spectra of their flours. • PLS-R models were robust against phenotypic and seasonal variations of the beans. • Susceptibility to develop HTC was predicted from NIR spectra of milled, fresh beans. [ABSTRACT FROM AUTHOR]

The cooking time of beans is an important quality indicator which can change considerably during ageing. Therefore, this study investigated the potential of near-infrared spectroscopy to rapidly predict cooking times of aged common beans. Four bean varieties were aged under different storage conditions, resulting in a range of samples for each of these varieties. The cooking kinetics of the aged beans were determined by finger pressing and modelled using logistic regression to obtain the times it took to cook 95% of the beans. The cooking times obtained were predicted from the NIR spectra of milled raw bean samples. This was done using partial least squares regression, after carrying out wavelength selection. Model performance was improved up to an average prediction error of 8 min by de-hulling the beans and reducing the number of varieties included. In conclusion, NIR spectroscopy has high potential to predict the cooking times of aged beans. • Cooking times of beans were predicted from NIR spectra of milled raw beans. • De-hulling beans prior to NIR measurements improved prediction accuracy. • NIR spectra of aged beans clustered into groups according to variety. • Variety-specific calibrations more accurately predict cooking times of aged beans. [ABSTRACT FROM AUTHOR]