bluuebunny/crossref_metadata_2025 huggingface dataset:
Application of an Experimental Design to the Detection of Foreign Substances in Milk
Authors: Pedretti Nadia , Bertrand Dominique , Semenou Michel , Robert Paul , Giangiacomo Roberto
Published: May 2009

NIRA was used in order to study interactions between temperature (T) and soluble substances and to detect solutes added to milk. A two-level factorial design was planned to estimate the effects of the main factors and of the most interesting interactions on spectral data. Water ( W), NaCl ( N), reconstituted skim milk powder ( P) and W with N were alternately added to milk. The plan was repeated on eight different milks. The interactions studied were W × N, W × T, N × T, P × T, W × N × T. The values assigned to the experimental design model were 1 and —1 for active and non-active factors, respectively. This model and the corresponding analysis of variance were assessed independently at each wavelength, making it possible to plot results versus wavelengths as a spectrum. Thus, absorbance (predicted variable) was considered as the response to experimental design variations (predictors). Principal Component Analysis (PCA) was applied to the overall data collection to identify the main variation factors. The ability of principal components to predict the presence of foreign substances was assessed by Principal Component Regression. Several PCRs were calculated on two sub-collections (HIGH and LOW temperature), obtained from the overall collection (TOTAL), in order to assess whether recording spectra at two temperatures was useful to predict the presence of foreign substances. PCA on the overall data collection identified T as the most important factor affecting the total spectra variation; N and P groups were also separated according to the third and the fourth principal components. The parameters of the analysis of variance confirmed that the main factors N, P and T and the T interactions were more significant. T and N induced a shift of water absorption bands around 1450 and 1940 nm. There was no prediction improvement in recording milk spectra at two temperatures. PCA on the LOW sub-collection identified W and P according to the first factor and N according to the second one.
Qualification of Solid Raw Materials Using near Infrared Spectroscopy
Authors: Cinier Regis , Guilment Jean
Published: May 2009

In order to get a final product which always has the same properties, it is very important to understand and control the manufacturing process but it also implies that the starting materials must be perfect. Perfection does not exist and so it is necessary to determine the purity of the material or to be sure it is always the same from batch to batch.

Near infrared (NIR) spectroscopy is known for its good ability to identify compounds as it is mentioned in a lot of publications. For the quantification of solids, the problem becomes harder involving reference techniques which are very often less precise and accurate than NIR measurement. However, in the case of moisture, gravimetric technique is sufficiently precise to get a good calibration. The main advantage of the quantification is the power of the methods to predict the results ‘you want to have’. Its drawback is that when a parameter not included in the calibration set is modified, it may have an impact on the global evaluation.

Another approach for raw materials is the qualification combining both the identification technique and send quantitative information. Qualification is based on the construction of clusters in a multidimensional space assuming that we use a number of different batches representative of the whole required variability to be measured. These different approaches will be illustrated with examples of compounds used in the photographic industry.
Rapid Analysis of Organic Fluoride Compounds for Production Control by Diffuse Reflectance near Infrared Spectroscopy
Authors: Grummisch Uwe , Kurowski Christel , Timm Dagmar , Grunewald Horst , Meyhack Ulrich
Published: May 2009

This is a poster presentation. Near infrared analysis plays an important role in manufacturing as industry strives to improve quality and process efficiency while reducing costs. The technology is ideally suited for real time quality testing. Information about products is obtained by measuring the absorption of near infrared light at specific wavelengths. Calibration models can be developed by correlating these absorption bands to qualitative and quantitative reference information. This is achieved by several reference samples covering the whole product matrix. Once the calibration models haven been established, simultaneous chemical and physical measurements can be obtained in seconds. In most applications the product is scanned as it exists with no or very little sample pretreatment. Thus, it is no longer necessary to destroy the sample for testing or to handle and despose hazardous testing chemicals. By doing so it also possible that the analysis can be transferred from the laboratory site to the production site. Due to easy sample preparation and sophisticated software it is also possible to run the analysis by production stuff. The concept is demonstrated by the measurement of of an organic fluor compound in tooth paste in a rather low concentration. Normally the fluoride concentration is measured by a ionselective fluoride electrode which needs sophisticated sample preparation and a lot of time before the final result is available. After having a resonable NIR calibration the same job can be done in seconds at the production site.
Near Infrared Prediction and Biochemical Properties in Human Breast Invasive Carcinoma Tissues
Authors: Yan Shou He , Mayaudon Jacques , Wallon Joëlle
Published: May 2009

This study was to develop a rapid and accurate NIR prediction method. According to statistical study, optimal score maps and occurrence rates (Frequency %) data were found in selectional zones B (1720–1796 nm) and C (2012–2058 nm), as a prognostic tool to distinguish the cancer from normal tissues of unknown human breast samples. In zone B, among 42 normal cases, there is just a single score mixed with cancer while some cancer sections were mixed with normal tissues which all came from lower aggressiveness. Moreover, in zone C, among 56 cancer cases, there is not a single score mixed with normal, but just a few control normal sections were mixed with cancer tissues which all came from higher aggressiveness. In the prediction set, the difficulty in identification was not only found from lower or middle aggressiveness but also from lower cancer and control normal tissue which was taken in the higher cancer case. Evident relationships between NIR data, histopathological diagnosis and glycolytic enzyme activity were found by using radiorespirometry and were expressed as a ratio of initial velocities (V) between cancer (Vc) and normal (Vn) tissues. The lowest Vc/Vn shows the lowest cancer aggressivenes as 1.45 to 1.51, 1.69, 2.35 to 2.86 and 4.82 to 10.38 in SBR I, lobular, SBR II and SBR III, respectively. This value corresponded exactly with the histopathological diagnosis and was in reverse order to NIR data, therefore the accuracy of the NIR prediction can be ensured.
Determination of Cholinesterase in Human Blood Using near Infrared Spectroscopy
Authors: Domján Gyula , Jákó János , Vályi-Nagy István , Kaffka Károly
Published: May 2009

The level of cholinesterase in the human blood is a very good indicator of liver function. In this study we desrcibe the relationship between cholinesterase values obtained with routine laboratory methods and near infrared (NIR) spectral data of 72 individuals with a wide range of cholinesterase levels. NIR spectra were measured with a SPECTRALYZER 10–25 (PMC) computerised research analyser. The relationship of laboratory data and values of the second derivative of the log (1/ TF) spectra measured at different wavelengths was determined with multiple linear regression (MLR) analysis using three-term linear summation equations. A correlation coefficient ( r) of 0.89 and a standard error of calibration ( SEC) of 987 units L−1 (U/L) of the enzyme were obtained. Our results indicate that NIR measurements of cholinesterase in the human blood serum can be related to the analytical data obtained with routine laboratory methods. NIR spectroscopy is a rapid, accurate, and inexpensive method for determining various constituents in the human blood.
Correlation between near Infrared Spectra and Texture Profiling of Steam Cooked Potatoes
Authors: Boeriu C.G. , Yuksel D. , van der Vuurst de Vries R. , Stolle-Smits T. , van Dijk C.
Published: May 2009

This study evaluated the ability of near infrared (NIR) spectrosocopy for the assessment of sensory texture properties of steam-cooked potatoes. The texture of steam-cooked potatoes from three cultivars, classified according to tuber size and dry matter content, was sensory evaluated after one, three and six months of storage. The sensory data were analysed using principal component analysis (PCA). PCA revealed that the first two principal components explained 95% or more of the variance between the data. The first principal component was dominated by the descriptors mealy and crumbly on the positive side and the descriptor waxy on the negative side. The descriptor firm had a high positive loading on the second principal component. For the same potato samples, NIR spectra were measured. A quantitative model based on partial least squares regression (PLS), relating NIR spectral data of fresh potato samples with sensory perceived texture attributes of same samples, has been developed. Among the sensory parameters, moist, waxy, firm and mealy were best predicted, with standard errors of calibration ( SEC) ranging from 7.4 to 10.5 and correlation coefficients (Rc) between 0.89 and 0.94.
Methodological Aspects on near Infrared Analysis of Iberian Pig Fat Using Interactance-Reflectance Fiber Optic Mode
Authors: García-Olmo J. , De Pedro E. , Garrido-Varo Ana
Published: May 2009

The present paper reports the results of a methodological work carried out to optimize interactance–reflectance NIR analysis of Iberian pig adipose tissue. The RMS statistic included in ISI software, which computes the agreement between spectra, was used for quantitation of errors due to operational factors (scan location and room light). The results obtained suggest that it would be advisable to take scans from at least two different locations and after setting an STD RMS limit of 45000 μlog (1/ R) at the Scan program. The room light has no effect on the spectra repeatability.
Effect of Sample Heterogeneity on near Infrared Meat Analysis: The Use of the RMS Statistic
Authors: Martínez M.L. , Garrido-Varo Ana , De Pedro E. , Sánchez L.
Published: May 2009

Ground and emulsified samples from Iberian pig hams were analysed by reflectance and interactance reflectance mode. Spectral errors due to intra-sample variations were calculated for both analysis modes. The spectral errors were calculated by means of the STD RMS statistic included on the ISI software. The results obtained show that a mean STD RMS value as low as 4200, could be obtained for paired subsamples of the same sample and that an STD limit of 4374 could be fixed at the instrument set-up program in order to ensure that a representative spectrum has been obtained from two subsamples readings of the same sample. That procedure avoids the need to take numerous subsamples, as is traditional in NIR/NIT meat analysis. The results also show that the spectral repeatability using fiber optic is worse than for spinning cups and it has been concluded that effort should be made to avoid moisture variations during scanning in order to improve spectral repeatability.
Determination of Tomato Quality by near Infrared Spectroscopy
Authors: Hong T.L. , Tsou Samson C.S.
Published: May 2009

Near infrared (NIR) spectroscopy was used in the quality assessment of tomato. The experimental results demonstrated that acceptable prediction of quality index, including total soluble solid, titratable acidity and colour (-a/b value) could be achieved. The advantages of using NIR spectroscopy include rapid analysis, simplified sample preparation, non-destructive measurement and lack of chemical pollution. This has suggested that NIR spectroscopy can serve as a useful tool for mass screening in breeding programmes and also for quality control in the processing industry.
Evaluation of Soya Bean Quality for Tofu Processing by near Infrared Spectroscopy
Authors: Hong T.L. , Tsou Samson C.S. , Tsai S.-J.
Published: May 2009

Soya bean, as the raw material for tofu processing, is required to be of high quality. The variety characteristics, storage conditions and harvesting seasons of soya bean are the major contributors to soya bean quality. This study attempted to use near infrared (NIR) spectroscopy to evaluate the processing quality of soya bean. Evaluation models using NIR spectroscopy were developed for the analyses of tannin content, degrees of lipid oxidation, detection of harvest seasons and measurement of water absorption rate. Simulation experiments demonstrated that these models were not only able to analyse major compositions of soya bean, but also to sort out soya bean samples and their suitability for tofu making regardless of various defects, such as high tannin content, low water absorption rate, prolonged storage and unfavourable harvest seasons. Statistic analysis suggested that these models could be used as mass-screening techniques for breeding programmes and quality control measures in tofu-processing factories.
Attempts to Determine Mouldiness of Paprika Powder by near Infrared Spectroscopy
Authors: Kiskó Gabriella
Published: May 2009

The task of our investigation was to develop a rapid method to detect both viable and dead mould biomasses in spice paprika powder. We tried to explore the relationship between the mould content of the paprika samples and their near infrared (NIR) spectra. Different methods are available for detecting moulds in food. Most of the current methods have disadvantages. In this work the ergosterol assay was chosen as reference method for determining the mould content in the samples because the ergosterol is a mould specific component and it can be satisfactorily determined. Both quantitative and qualitative methods were used for this purpose. For quantitative investigation MLR was used for creating models for determining the mouldiness of a sample ( SEC = 6,11, r = 0.89). For qualitative investigation the PQS (Polar Qualification System) was used described by Kaffka and Gyarmati (1991) and the “quality points” of the samples were determined using different spectral ranges. The location of the quality points in the “quality plane” clearly shows the shift of the quality points in the function of the mould content. The NIR technique proved to be very promising as rapid, non-destructive, reagentless method to detect the mould biomass content in paprika powder and there is simple means for monitoring the mycological quality assurance of paprika powder products.
The Benefits of near Infrared Analysis for Food Product Quality
Authors: Kurowski Christel , Timm Dagmar , Grummisch Uwe , Meyhack Ulrich , Grunewald Horst
Published: May 2009

This is a poster presentation. Raw materials have a decisive influence on the quality of a product. Therefore it is important to check raw materials not only for quality and composition but also for identity. It is also essential to check material during the production process to prevent defective products and to save costs resulting from any out of specification batch. Such in-process measurements are also used for process control. The power of NIR spectroscopy includes both qualitative and quantitative analysis. Results can be obtained within a few seconds. Since no chemicals or time consuming sample preparation is necessary NIR spectroscopy is an ideal analytical method for at-line and in-line measurements. NIR spectroscopy is well established to measure moisture, protein, and fat – the three major constituents in food processing. For these three and a few other constituents a selection of 19 specific wavelengh filters can give all necessary information. But NIR spectroscopy is not only an appropriate tool to analyze these “standard parameters” it can also be very helpful when determining less conventional or minor parameters. Therefore often a higher flexibility regarding the wavelength selection is required which makes the collection of a full spectrum necessary. Some of these less common applications are the determination of caffeine in coffee, theobromine in chocolate or trans fatty acids in margarine. Other product specific parameters which have a strong influence on processing behaviour like the tenderness of peas or the degree of substitution in modified starch can also be measured by NIR.
Determination of the Constituents of Honey by near Infrared Spectroscopy
Authors: Ha Jaeho , Koo Minseon , Ok Hyunee
Published: May 2009

Near infrared spectroscopy was applied to determine the components of honey, such as moisture, fructose, glucose, sucrose and ratio of fructose to glucose. Using both a fixed type and a grating-type device, the calibration obtained from the samples of the honey was successfully applied to the determination of the components of honey.
Determination of the Constituents of Sesame Oil by near Infrared Spectroscopy
Authors: Ha Jaeho , Koo Minseon , Ok Hyunee
Published: May 2009

The important factors of sesame oil on its quality are acid value, peroxide value, and fatty acid composition. Acid value and peroxide value are determined by a wet analysis and fatty acid compositions by a gas chromatographic method. This study was carried out to ascertain the potential for utilizing NIR spectrophotometry as a means of rapid and non-destructive method to determine the constituent of sesame oil. Using both a fixed type and a grating-type device, the calibration obtained from the samples of sesame oil was successfully applied to the determination of the constituents such as acid value, peroxide value and fatty acids.
Use of High Order Principal Components in NIR Spectroscopy
Authors: Evans D.G. , Legrand A. , Jewell K. , Scotter C.N.G.
Published: May 2009

The advantages and disadvantages of using high order principal components are considered. It is concluded that high order principal components can be very useful. Computational problems are highlighted. Some useful tools for the analysis of multivariate NIR spectroscopy data are presented.
Analyses of Forest Foliage I: Laboratory Procedures for Proximate Carbon Fractionation and Nitrogen Determination
Authors: Newman Stephen D. , Soulia Margaret E. , Aber John D. , Dewey Bradley , Ricca Andrea
Published: May 2009

As part of NASA's Accelerated Canopy Chemistry Program we performed analyses for the determination of carbon constituents and nitrogen content in fresh forest foliage. Foliage from three deciduous species was collected for carbon fraction analysis. Samples were analysed using a series of extractions that yielded different carbon constituents: non-polar, polar, cellulose and lignin. Results showed this to be a satisfactory method for carbon fractionation. Coefficient of variation within and between runs was less than 10%. These results were further supported by an interlaboratory comparison involving two other labs and samples collected as part of NSF's LTER LIDET experiment. Variations in laboratory results were due in part to differences in ash correction calculations. Approximately 1000 additional samples were analysed by wet chemical methods and used as a calibration set for Visible/NIR reflectance. Results showed accuracy of spectrophotometric measurements to approach that of wet chemistry techniques.
Analysis of Feed Barley by near Infrared Reflectance Technology
Authors: Edney M.J. , Morgan J.E. , Williams P.C. , Campbell L.D.
Published: May 2009

Rapid methods for predicting feed barley quality with near infrared (NIR) reflectance spectroscopy were investigated. Reference tests for true metabolisable energy (TME), in vitro digestibility, neutral-detergent fibre, protein and kernel plumpness in feed barley is time-consuming. Near infrared technology can save considerable time by testing all of the above simultaneously, but accurate calibration of the equipment is essential. Calibration requires accurate results from chemical or physical tests and wide variance in reference data. Our calibration data sets were selected from over 800 feed barley (hulless, two- and six-rowed) samples that were grown at various locations across the Canadian Prairies in 1990 or 1991. Calibrations for a NIRSystems 6500 scanning spectrophotometer, using both whole and ground kernels, were calculated using one of three basic mathematical treatments: log (1/ R) or the first or second derivative thereof. Partial Least Squares regression was applied to the best mathematical treatment and further calibrations were generated where applicable. We found correlations of 0.95 (TME), 0.98 ( in vitro digestibility), 0.90 (NDF), 0.97 (protein) and 0.91 (kernel plumpness). Standard errors of prediction were 0.21, 0.97, 0.65, 0.31 and 11.5, respectively.
Near- versus Mid-Infrared Diffuse Reflectance Spectroscopy for the Quantitative Determination of the Composition of Forages and By-Products
Authors: Reeves James B.
Published: May 2009

The objective of this work was to explore the relative value of near- and mid-infrared diffused reflectance spectroscopy in determining the composition of forages and by-products. Sixty-seven samples consisting of 15 alfalfa, 16 tall fescue and 15 orchard grass hays, 10 corn stovers and 11 wheat straws at various stages of maturity were examined by diffuse reflectance using a scanning monochromator (1100–2500 nm), a Fourier near infrared spectrometer (10,000–4000 cm−1, 4 and 16 cm−1 resolution, neat and 5% sample in KBr) and a Fourier mid-infrared spectrometer (4000–400 cm−1, 4 and 16 cm−1 resolution, neat and 5% sample in KBr). Samples were analysed chemically and spectroscopically for fibres, in vitro digestibility, crude protein, nitrobenzene oxidation products and various measures of lignin content. The results showed that diffuse mid-infrared reflectance spectroscopy can perform as well as, and sometimes better than, diffuse near infrared spectroscopy in determining the composition of forages and by-products. In addition, Fourier near infrared spectroscopy did not perform as well as either near infrared using a scanning monochromator or the Fourier mid-infrared spectrometer. Finally, diluting samples with KBr was not beneficial for either Fourier based determinations. Additional work with more diverse data sets and various Fourier instrument configurations will be needed to further define the limits and usefulness of Fourier transform near- and mid-infrared spectroscopy in the determination of forage and by-product composition.
Spectrophotometry of Human Hemoglobin in the near Infrared Region from 1000 to 2500 nm
Authors: Kuenstner J. Todd , Norris Karl H.
Published: May 2009

Absorbance and first and second derivative absorbance spectra and quarter-millimolar absorptivity coefficients for hemoglobin species including oxy-, deoxy-, carboxy- and methemoglobin in the visible and in the near infrared regions from 620 nm to 2500 nm are presented. At wavelengths longer than 1500 nm, the absorbance and second derivative absorbance spectra of hemoglobin species are similar for all of the species. Absorption bands are present centred at 1690, 1740, 2056, 2170, 2290 and 2350 nm.
The Use of near Infrared Spectroscopy for the Analysis of Fresh Grass Silage
Authors: Sinnaeve G. , Dardenne P. , Agneessens R. , Biston R.
Published: May 2009

The feasibility of using near infrared reflectance and near infrared transmission spectroscopy to evaluate the proximate composition and the content in fermentation end-products of fresh silage was investigated. In this study, the silage fermentation characteristics were predicted both by NIR reflectance (NIRSystems 6500 with a coarse sample cell) and by NIR transmittance (Tecator Infratec 1255). The silage was measured immediately on opening the silo with no sample preparation. The analysis of silage in its fresh state prevents volatilisation of fermentation end-products. The best results were obtained in the reflectance mode for all the constituents under investigation, using the full wavelength range. The best R2 values for pH, ammonia-nitrogen, lactic and acetic acids for validation samples were 0.90, 0.93, 0.86 and 0.85, respectively. The corresponding standard error values were 0.23 and 1.07 (% of total nitrogen), 8.35 and 1.65 (g kg−1 dry matter). It is concluded that silage fermentation characteristics can be predicted by NIR analysis on the silage in its fresh state. In this manner, the volatilisation of fermentation end-products is prevented.
Authentication of Whole and Ground Coffee Beans by near Infrared Reflectance Spectroscopy
Authors: Downey Gerard , Boussion Jerôme , Beauchêne Dominique
Published: May 2009

The potential of NIR reflectance spectroscopy for discriminating between pure Arabica and pure Robusta coffees and blends of these two was investigated. Studies were performed on whole and ground beans using a factorial discriminant procedure. For whole beans, in the absence of blended samples, a correct classification rate of 96.2% was achieved. Inclusion of blended samples reduced this figure to between 82.9 and 87.6%. In the case of ground samples, including blends, a correct identification rate of 83.02% was achieved. The molecular basis for discrimination is discussed.
Effect of Non-Peptide and Non-Protein Nitrogen Compounds for the Determination of Protein Content by near Infrared Spectroscopy
Authors: Yamashita Hiromi , Takamura Hitoshi , Matoba Teruyoshi
Published: May 2009

The significance of the absorption at 2170 nm due to peptide bonds for the determination of protein content by near infrared (NIR) spectroscopy was evaluated by comparing it with absorptions due to other nitrogens (non-peptide nitrogens in protein and non-protein nitrogens). The amide group (asparagine and glutamine), guanido group (arginine), imidazole group (histidine) and amino group (lysine) in proteins did not exhibit absorption at 2170 nm. The absorptions of nucleic acid related compounds also were not observed at 2170 nm. These results suggest that a wavelength of 2170 nm is suitable for the accurate determination of protein content in foods.
Near versus Mid-Infrared Spectroscopy for Quantitative Analysis of Chlorite Treated Forages and By-Products
Authors: Reeves James B.
Published: May 2009

The objective of this work was to explore the relative merits of near and mid-infrared diffuse reflectance spectroscopy in determining the composition of sodium chlorite treated forages and by-products. Sixteen feed-stuffs (174 total samples treated at one of 11 levels of sodium chlorite, 0 to 0.394 g per gram of feedstuff) were examined in the near and mid-infrared spectral regions using diffuse reflectance on a Fourier transform spectrometer, and in the near infrared region using a grating monochromator. Samples were scanned as is and as 5% sample in KBr on the Fourier spectrometer and as is on the grating monochromator. Samples were analysed chemically and spectroscopically for neutral and acid detergent fibre, in vitro digestibility, permanganate lignin, crude protein and lignin nitrobenzene oxidation products. Results showed that diffuse mid-infrared reflectance spectroscopy can perform as well as, and sometimes better than, diffuse near infrared reflectance spectroscopy in determining the composition of chlorite-treated forages and by-products. In addition, Fourier near infrared spectroscopy did not perform as well as either near infrared using a grating monochromator or the Fourier mid-infrared spectrometer. Finally, diluting samples with KBr was often beneficial for mid-infrared based determinations.
Near Infrared Spectroscopy for Classification of Iberian Pig Carcasses Using an Artificial Neural Network
Authors: Hervás C. , Garrido A. , Lucena B. , García N. , De Pedro E.
Published: May 2009

Artificial neural networks (ANNs) have demonstrated their usefulness in near infrared (NIR) reflection and transmittance spectroscopy for quantitative prediction. The new approach presented here considers the use of ANNs for qualitative classification. Four forms of neural networks (a competitive network using the learning vector quantisation, LVQ learning rule; a backpropagation network using the extended delta-bar-delta, EDBD rule; a network with direct random search, DRS; and a simple competitive linear network, CL) have been tested for classification of 118 fat samples from Iberian pig carcasses into three different price groups. An ANN using the LVQ learning rule has been found to be the best in terms of classification error size. The classification ability of the LVQ network has been evaluated against discriminant analysis, one of the most used methods for NIR spectroscopic qualitative analysis.
Application of near Infrared Transmission Spectroscopy for the Determination of Some Quality Parameters of Apples
Authors: Lovász T. , Merész P. , Salgó A.
Published: May 2009

The acceptability of near infrared (NIR) transmission spectroscopy for the prediction of six quality factors of apples (firmness, refractive index, pH, titratable acid, dry matter and alcohol insoluble solids content) was investigated. The effects of storage conditions, cultivars and season on the accuracy of the NIR transmission method were also studied during the experiment. The accuracy of the calibration of all investigated parameters decreased during storage. The alteration of the characteristics of the spectra is possibly due to changes in the chemical composition and structure of apples between September and April. The calibration method was improved by developing a separate calibration for each cultivar per year. The calibrations of the different parameters are season-dependent except for the dry matter content. Using outlier diagnostics, the prediction accuracy can be generally improved by about 10%. The coefficient of variation for each parameter is compatible with the relative standard deviation for the reference methods except for the titratable acid content, showing the applicability of NIR transmission techniques. A relationship seems to exist between the maturity and the NIR transmission spectra of the apple.
Development of a Sample Set for Soya Bean Calibration of near Infrared Reflectance Spectroscopy
Authors: Hong T.L. , Tsai S.-J. , Tsou S.C.S.
Published: May 2009

The potential application of near infrared (NIR) spectroscopy is limited since its calibration equations are not always transferable from one instrument to another. Hence, an attempt was made to develop a selected sample set of soya beans with analytical data, which could be distributed to collaborators to calibrate their instruments. Sixty soya bean samples, (1 kg each) were selected and packed (200 g each) in laminated film bags after thorough mixing. During their storage at 4°C, the soya bean samples were periodically evaluated by chemical analysis as well as by NIR spectroscopy. Chemical compositions (i.e. moisture, protein and fat) were determined using conventional methods. Experimental results showed that no significant differences were found in the compositions of interest as well as in the reflectance spectra over a storage period of up to three years, and that the NIR spectroscopy method is independent of the location and model of the instruments. The experiment demonstrated that it is possible practically to use a pre-packed sample set with chemical data for calibration purposes.
Fast Identification of Packaging Waste by near Infrared Spectroscopy with an InGaAs Array Spectrograph Combined with Neural Networks
Authors: Feldhoff Roger , Huth-Fehre Thomas , Kantimm Thomas , Quick Ludger , Cammann Karl , van den Broek Willie , Wienke Dietrich , Fuchs Harald
Published: May 2009

An optical set-up consisting of a high-throughput NIR spectrometer with an InGaAs array (800 nm to 1700 nm) and a specially designed collection optics was used to record spectra from post consumer packages (PE, PET, PP, PS and a cardboard–plastic compound) located on an industrial conveyor belt with an integration time of 6.3 milliseconds per sample. The spectra were classified by neural networks with an identification rate of better than 98%. The set-up is, hence, regarded as suitable for the on-line identification of package materials.
Two-Dimensional Vibrational Spectroscopy III: Interpretation of the Degradation of Plant Cell Walls by White Rot Fungi
Authors: Barton F.E. , Himmelsbach D. S. , Akin D.E. , Sethuraman A. , Eriksson K.-E.L.
Published: May 2009

The degradation of lignocellulose by white rot fungi has been studied by two-dimensional vibrational spectroscopy to examine the particular functional groups on specific carbohydrates affected by the organisms. The organisms: P. chrysosporium K-3 (Pc), cellulase-less mutant 3113 from P. chrysosporium K-3, cellulase-less mutant 85118-b from P. chrysosporium K-3, Phellinus pini RAB-83-19 ( Pp) and C. subvermispora FP 90031-sp (Cs) (and both P. pini and C. subvermispora), differed in the extent to which they removed the phenolic moiety from the carbohydrates and differed in the way that they utilised them. The Cs appears preferentially to utilise the C-5 carbohydrates while the Pc and Pp are much less specific, as evidenced by the changes in the 800–1200 cm−1 C–O–C region of the mid-infrared spectrum. The cellulase-less mutants do not appear to be as active as the Pc and Pp and provide a gradient by which the other organisms' activity can be assessed. The fungal biomass seems to obscure the interpretation at the longer wavelengths, but the 2000 cm−1 region is highly correlated to both carbohydrate and lignin wavelengths in the near infrared spectrum. The 2D technique permits a look at the degradation process and a way to see quickly the differing effects of the fungi on plant cell walls.
The Standardisation of Infratec 1221 near Infrared Transmission Instruments in the Danish Network Used for the Determination of Protein and Moisture in Grains
Authors: Büchmann Nils Bo , Runfors Stefan
Published: May 2009

The Danish NIR transmission network is used for the determination of protein, moisture and starch in barley and wheat; moisture in rye; oil in rapeseed; and Zeleny in wheat. The network is described briefly. To achieve optimal performance of the field instruments, a standardisation using grain and rapeseed samples has to be conducted at least once a year. The systematic instrument-to-instrument variation is thus virtually eliminated just after standardisation. The random variation between the field instruments and the sub-master is small and not influenced by the standardisation.
A Combined Acquisition and Analysis Protocol to Eliminate Spikes in near Infrared Spectra Measured with Germanium Detectors
Authors: Oetliker Ueli , Reber Christian
Published: May 2009

A new software-based method for eliminating voltage spikes in near infrared (NIR) spectra measured with germanium (Ge) detectors is described. The digitised signal from the detector is analysed statistically in order to reject spikes before the average signal at a given wavelength is calculated and stored. This analysis is an integral part of the data acquisition process and its properties and implementation are described in detail. The protocol is used to measure NIR luminescence spectra of inorganic materials and we show that acquisition times for spectra with equivalent signal-to-noise ratios are shorter by an order of magnitude than for conventional experiments. This low-cost methodology is easily adapted to other spectroscopic techniques involving Ge detectors.
The Applicability of near Infrared Reflectance Spectroscopy for Determining Solubility and Digestibility of Heated Protein under High Pressure
Authors: Cho R.K. , Lee J.H. , Ahn J.J. , Ozaki Y. , Iwamoto M.
Published: May 2009

The potential of near infrared (NIR) reflectance spectroscopy for non-destructively probing structural changes in protein during the process of denaturation was investigated. Lysozyme as a model protein was adjusted to 15% moisture content, placed in a steel cylinder and then heated at 30, 90, 120 and 150°C under pressure conditions of 10, 15, 30 and 45 MPa. Significant changes were observed in absorption bands near 2144, 2168 and 2208 nm with increases in temperature and pressure. The spectral changes were, in general, much larger for samples subjected to both high temperature and pressure than for those subjected to high temperature only. It is likely that these changes are due to changes in the secondary structure of protein. Absorbance changes at the above wavelengths showed high correlations to variations in solubility and digestibility of protein treated under high heat and pressure conditions. The results of multiple linear regression analysis suggest that NIR spectroscopy may be used to predict the solubility and digestibility of protein.
An Overview of Chemometrics Applications in near Infrared Spectrometry
Authors: Geladi Paul , Dåbakk Eigil
Published: May 2009

Near infrared (NIR) spectrometry has found wide use in academic applications, forensic research and in industry. While the use of NIR has been extended to new fields, there have also been enormous developments in the field of multivariate calibration. Some of these developments were due to demands in NIR applications while others came from related spectral techniques. In this paper some trends and developments in multivariate calibration and the use of NIR spectrometry are presented and commented upon. A complete overview would be quite impossible, but an attempt is made to present a good selection of what is going on in the field, with appropriate comments.
Spectral Effects of Water in the 10,000 to 8000 cm−1 (1000 to 1250 nm) near Infrared Spectral Region. And, Can They Explain Previously Seen Effects of Water in the Spectral Region from 14,000 to 11,500 cm−1 (714 to 870 nm)?
Authors: Reeves James B.
Published: May 2009

The spectral region from 10,000 to 8000 cm−1 (1000 to 1250 nm) is often used for high moisture samples and fibre optic systems. The first objective of this work was to determine the effects of water on the spectra of various types of materials in this spectral region. The second objective was to determine the origin/nature of spectral effects/artifacts seen in the spectral region from 14,000 to 11,500 cm−1 (714 to 870 nm) when water was added to gums and proteins (increases in peak intensities and shifts in position due to the presence of water). Spectra were obtained by diffuse reflectance and transmission using a Fourier transform spectrometer. The results showed that the effects seen in the mid-infrared and near infrared from 8000 to 4000 cm−1 (1250 to 2500 nm) were also common in this part of the near infrared (i.e. peak shifts, loss of spectral features etc). Thus, the spectra of crystalline glucose and sucrose, while distinctively different as crystalline solids, were very similar when in solution and changes in the spectra of materials, such as acetone, pyridine and ethanol, were very similar in nature to those previously found in the near infrared from 8000 to 4000 cm−1 (1250 to 2500 nm). Finally, detailed examination of spectra in the region from 10,000 to 8000 or 6000 cm−1 (1000 to 1250 or 1667 nm) did not show any spectral effects similar to those seen in gums and proteins in the 14,000 to 11,500 cm−1 (714 to 870 nm) region. Thus, the nature of these effects is still unknown.
An Overview of Research and Development of near Infrared Spectroscopy in Japan
Authors: Iwamoto Mutsuo , Kawano Sumio , Ozaki Yukihiro
Published: May 2009

This paper presents an overview of research and development of near infrared (NIR) spectroscopy in Japan. The application of NIR spectroscopy in Japan only stretches back to the early 1980s. Thus, the history is rather short, but progress in the research and development of NIR spectroscopy is extremely fast. The history and present status of NIR spectroscopy in Japan are described and a number of representative applications carried out in Japan are introduced.
Near Infrared Spectroscopy and Chemometrics Studies of Temperature-Dependent Spectral Variations of Water: Relationship between Spectral Changes and Hydrogen Bonds
Authors: Maeda Hisashi , Ozaki Yukihiro , Tanaka Munehiro , Hayashi Nobuyuki , Kojima Takayuki
Published: May 2009

The present study aims to provide new insights into the temperature-dependent spectral variations in the near infrared (NIR) region of the spectrum of water by comparing chemometrics with spectroscopic analysis. Fourier transform (FT)-NIR spectra of water in the 9000–5500 cm−1 region have been measured over a temperature range of 5–85°C. The observed spectral changes have been analysed by both chemometrics, such as multilinear regression (MLR), principal component regression (PCR) and partial least squares (PLS) regression, and spectroscopic data analyses, such as second derivative, difference spectra and curve fitting. The second derivative of the NIR spectra of water suggests that an intense feature around 6900 cm−1, due to the combination of antisymmetric and symmetric stretching modes of water, consists of at least five component spectra. Each component spectrum may be ascribed to the water species with no, one, two, three and four hydrogen bonds. Curve fitting has been performed for the 6900 cm−1 band and it has been found that the species with no hydrogen bonds increase largely with temperature, while those with more than two hydrogen bonds decrease. The temperature of water has been predicted by use of MLR, PCR and PLS regression. PCR and PLS regression loadings plots for Factor 1 of the models for the prediction of the temperature of water are almost identical with the difference spectrum of water between 5 and 85°C; both the loadings plots and the difference spectrum reflect strongly the changes in the hydrogen bonds of water. Loadings plots of Factor 1 of the PCR and PLS regression models are very similar to each other. It is very likely that since the temperature-dependent spectral variations of water in the NIR region are very regular, and the spectra have only very small noise and baseline changes, PCR and PLS regression select nearly identical factors.
Development of a Calibration Equation with Temperature Compensation for Determining the Brix Value in Intact Peaches
Authors: Kawano Sumio , Abe Hideyuki , Iwamoto Mutsuo
Published: May 2009

The influence of sample temperature on the performance of a near infrared (NIR) calibration equation was evaluated and then the development of a calibration equation, which can compensate for a variation of sample temperature, was examined. The results obtained are as follows. (i) The calibration equations developed using samples at constant temperature were not stable in predicting when the sample temperature varied. (ii) NIR spectra were affected by sample temperature; as sample temperature increased, absorption became stronger at 841 and 966 nm. A similar phenomenon is exhibited by water. (iii) Water absorption is easily influenced by a variation in temperature, therefore it was considered that water was an important factor causing a bias when the sample temperature varied. (iv) The calibration equations developed using samples which had a temperature range from 21 to 31°C, showed a high accuracy in prediction, even if the sample temperature changed in that range. In consequence, it was concluded that a calibration equation with temperature compensation could be developed using a combined calibration sample set which covered a variation in temperature of the samples in the future.
Determination of Lipid Oxidation in Edible Oils by near Infrared Spectroscopy
Authors: Takamura Hitoshi , Hyakumoto Noriko , Endo Naoko , Matoba Teruyoshi , Nishiike Tamako
Published: May 2009

The relationship between near infrared (NIR) second derivative spectra and lipid oxidation was investigated to develop a method for the determination of lipid oxidation in edible oils by NIR spectroscopy, using peroxide value ( POV) as the index of oxidation. Although several absorption peaks were found in the difference second derivative spectra of oxidised edible oils, the intensity of the peak at 2084 nm only was highly correlated to POV. In the spectra of purified hydroperoxides of methyl oleate and methyl linoleate, the intensity of the peak at 2084 nm was also highly correlated with POV, which demonstrates that the absorption is due to hydroperoxide. In addition, this peak shifted and weakened after reduction of hydroperoxide to hydroxide, which shows the absorption is specific for the hydroperoxyl group. These results suggest that 2084 nm is the key wavelength for lipid peroxide and can be used for the determination of lipid oxidation in edible oils.
Upgrading a High Performance Spectrophotometer
Authors: Massie David R. , Delwiche Stephen R.
Published: May 2009

A spectrophotometer system was updated with a new computer and control circuitry to measure qualitative and quantitative characteristics of agricultural products between the ultraviolet and near infrared (NIR) regions of the electromagnetic spectrum. This single beam instrument, along with its computer, has a wavelength repeatability of 0.005 nm. This performance is required for proper system response compensation in a single beam system. Analog electronics are kept to a minimum by early conversion of the signal with a 10-μs 16-bit analog-to-digital (A/D) converter. A fast response real-time computer is required to service the A/D, wavelength drive and optical chopper. Herein, the development and selection of computer interfaces, data collection techniques and performance characteristics of this laboratory spectrophotometer system are described. The system is regularly used as the development tool in investigating new measurement techniques on agricultural products. It is also used to evaluate optical filters and other spectrophotometric systems.
Authentication of Food and Food Ingredients by near Infrared Spectroscopy
Authors: Downey Gerard
Published: May 2009

Food authenticity is an issue of concern to food processors, retailers, regulatory authorities and consumers alike. Near infrared (NIR) spectroscopy has many potential advantages as an authenticity testing tool and has already been applied to a number of authentication problems using a range of sample presentation and chemometric techniques. This review outlines the principles of the statistical procedures used so far, and summarises the work reported to-date on a range of foods and food ingredients.