bluuebunny/crossref_metadata_2025 huggingface dataset:
Near Infrared Spectroscopy for Measuring in Situ Degradability in Barley Forages
Authors: Hsu H. , McNeil A. , Okine E. , Mathison G. , Soofi-Siawash R.
Published: May 2009

The Western Canadian dairy, beef cow and feeder cattle industries rely heavily on barley ( Hordeum vulgare) based forages for a major portion of the ruminant diet. The objective of this study was to investigate the use of near infrared (NIR) reflectance spectroscopy to determine: 1) the proportion of rapidly degradable and slowly degradable dry matter in the forage, and 2) the effective rumen dry matter degradablities at rumen passage rates ( Kp) of 3% and 6% per hour for the forages, as determined in situ using the nylon bag technique. For each incubation period a total of 195 straw samples from the 1994 to 1995 crops years were placed in each rumen of three lactating Holstein cows. The same cows were used to incubate 27 greenfeed and corresponding 27 silage samples from the 1995 crop year. Similarly, 27 greenfeed and corresponding 27 silage samples from the 1996 crop year were incubated in each rumen of three dry Holstein cows. The incubation times were 0, 4, 8, 12, 24, 72, 120 and 240 h. Residual dry matter (DM) in each bag was expressed as a percentage of original DM. Using an NIRSystems 6500 instrument and Infrasoft International, NIRS 3, version 3.11 software, calibration equations were developed for predicting rapidly degradable (A) and slowly degradable (B) rumen fractions and effective degradability at Kp of 3% (D) and 6% (E). Two-thirds of the 302 samples (202) were spectrally selected for NIR spectroscopy calibration and the remaining 100 samples were used for validation. Coefficients of multiple determination ( R2) between in situ experimental and NIR spectroscopy predicted results in the calibration set were 0.99, 0.92, 0.99 and 0.99 for A, B, D and E, respectively. Standard errors of calibration ( SEC) in the calibration set were 1.59, 2.57, 1.54 and 1.69 for A, B, D and E, respectively. The corresponding R2 and standard errors of prediction ( SEP) in the validation set were 0.95, 0.66, 0.96 and 0.94 and 3.47, 4.26, 3.04 and 3.63 for A, B, D and E, respectively. The RPD statistics, the ratio of the standard deviation of in situ data to SEP from the validation set, were 4.75, 1.73, 4.67 and 4.08 for A, B, D and E, respectively, indicating that the calibration equation is acceptable for predicting an in situ constituents accurately. Based on the high R2, low SEC, low SEP and the high RPD results, we conclude that the NIR spectroscopy equations developed in this study are valid for predicting the rapidly degradable (A) fraction and the effective rumen dry matter (DM) degradability at both 3% (D) and 6% (E) per hour rumen passage rates for barley forages.
The Estimation of Crude Protein and Dry Matter Degradability of Maize and Grass Silages by near Infrared Spectroscopy
Authors: De la Roza Begoña , Martínez Adela , Santos Begoña , González Javier , Gómez Guillermo
Published: May 2009

A total of 130 silages samples (53 of maize silages and 77 of grass silages), which were ensiled with or without silage additives, with different soil contamination levels, with different weed percentages and with or without wilting, were used to evaluate the dry matter (DM) and crude protein (CP) ruminal degradability. The ruminal degradability of the samples was calculated from the corresponding in situ degradation parameters and from the measured passage rates of the silages fed to each experimental animal. The DM and CP degradation parameters were obtained using the logistic model of Van Milgen and Baumont. The fitting of the models to the kinetics of degradation and particle passage was carried out by non-linear regression. The value of the effective degradability, considering in the rumen simultaneously an outflow compartment and a mixing–reduction compartment, were calculated in both cases from an adaptation of the general procedure proposed by Ørskov and McDonald. A NIRSystems 6500 spectrometer was used for the prediction of the DM and the CP degradation characteristics of the samples. Calibration equations were obtained by modified partial least squares regression, using reflectance spectra transformed into the second derivative. The results showed that near infrared spectroscopy is a good method for predicting the DM and CP degradation characteristics. The calibrations for effective degradability of maize and grass silages indicated a high consistency.
Near Infrared Spectroscopy Estimation of Feeding Value of Forage Perennial Grasses in Breeding Programmes by Global and Specific Calibrations. Estimation of Chemical Composition and Digestibility
Authors: Naydenova Y. , Tomov P. , Dardenne P.
Published: May 2009

Near infrared (NIR) spectral analysis with a NIRSystems 6500 monochromator was applied to evaluate accuracy of predictive models for forage quality in clone breeding processes of the original Bulgarian varieties over different cuts and years. The varieties were the perennial grasses: Dactylis glomerata L., Festuca arundinacea Schreb. and Bromus inermis Leyss. Global calibrations for the 418 perennial grass samples and specific calibrations for each single grass species and internal cross-validations were performed by the PLS regression method. The effect of different spectral data pre-treatments was investigated on the residual standard errors of the NIR predictive models. Among 60 calibration equations, the model with the lowest SECV value was retained for each parameter in each database. No particular data pre-treatment was really better than the other ones. Generally, the best results of the global calibrations were obtained with SNVD and MSC. For the specific calibrations, SNVD and WMSC were the best treatments. In both cases, the first or second derivatives were needed after the first pre-treatment. Chemical composition and in vitro enzymatic digestibility of clones were predicted with accuracy similar to that of classical laboratory methods. For the cell wall component contents, the standard errors of cross-validation SECV(%DM) ranged from 0.49 for ADL ( Festuca) to 2.02 for NDF ( Dactylis). The digestibilities of dry and organic matter, IVDMD and IVOMD, were estimated with SECVs from 2.6 to 3.0%, the relative intake, from 0.06 to 0.09 rel% body weight and the relative feeding value, from 4.39 to 5.64 rel%. The global calibration models offer an acceptable accuracy for the estimation of the cell wall nutrient contents, the digestibility and the nutritive value. The standard errors of prediction of specific single species calibrations with smaller numbers of terms were lower in 60% of the cases than those obtained from the best global calibrations with higher numbers of terms. On average, SECVs from specific calibrations are better than those from global calibrations, but the differences are quite small, and for the prediction of totally new samples (new crops, another year), the global calibrations will detect less outlier samples. Even with very high variability between cuts and years, NIR spectroscopy is able via ANOVA GL Models to sort clones on their feeding value and to provide relevant information for the breeding programmes.
The Possibility of near Infrared Spectroscopy for Evaluation of Microbial Nitrogen Content of in Sacco Feed Residues and Duodenal Digesta of Sheep
Authors: Atanassova S. , Todorov N. , Djouvinov D. , Tsenkova R. , Toyoda K.
Published: May 2009

This study aimed to estimate by near infrared (NIR) spectroscopy the microbial nitrogen content (MN) of feed residues from in sacco degradability trails and duodenal digesta of sheep. NIR spectra from 50 samples of duodenal digesta, and from in sacco residues—110 samples of alfalfa hay and 38 samples of maize silage were obtained using an NIRSystems 4250 spectrophotometer. The microbial nitrogen (MN) content of part of the alfalfa hay in sacco residues (78 samples) was calculated from the percentage of 15N enrichment compared to enrichment in the original samples; for the rest of the alfalfa samples and samples of maize silage residues were determined by diaminopimelic acid (DAPA) as a bacterial marker, and MN of duodenal digesta samples by the purine N (RNA equivalent) content as a microbial marker. The calibration equations were developed by modified least squares as the calibration method. The microbial content of all kinds of samples was accurately calibrated and cross-validated. A standard error of cross validation ( SECV) of 0.418 g microbial N kg−1 DM, a coefficient of determination for the cross validation of 0.925 and a ratio of standard deviation of population and the SECV of 3.88 were obtained for the alfalfa 15N labelled hay residues. For maize silage residues, the corresponding values were 0.832, 0.938 and 3.90, and for duodenal digesta samples the values were 1.05, 0.962 and 5.19, respectively. Prediction of MN as percentage of total N of the samples gave approximately the same level of accuracy. For example, the SECV was 2.35% units, cross-validation R2 was 0.953, SD/SECV was 4.60 for alfalfa 15N labelled hay residues. Despite the different origin of the analysed samples (feed residues and duodenal digesta), the NIR spectroscopy determination of MN content of all samples was based on spectral data at very similar wavelengths. The study indicated that NIR spectroscopy has the potential to predict microbial nitrogen content and to distinguish MN from total N content of in sacco feed residues and duodenal digesta.
Prediction of Phenolics and Tannins in Forage Legumes by near Infrared Reflectance
Authors: Goodchild A.V. , El Haramein F.J. , El Moneim A. Abd , Makkar H.P.S. , Williams P.C.
Published: May 2009

Near infrared (NIR) spectroscopy calibrations for measures of tannins and nutritive value were made on a set of 40 hays and straws of Vicia and Lathyrus spp. by the modified partial least squares (MPLS) method and were evaluated by cross-validation. They successfully predicted, in the dry matter, 4.6–34.1 g kg−1 total phenolics with a cross-validation R2 of 0.95 and a SECV of 1.68 g kg−1, 1.3–23.1 g kg−1 total tannins ( R2 = 0.89, SECV = 1.84 g kg−1) and 0.5–30.3 g kg−1 condensed tannins ( R2 = 0.93, SECV = 2.34 g kg−1). In multiple regression and MPLS calibrations, a wavelength close to 2.144 μm was common to all measures of tannins, and was attributed to condensed tannins and its flavanoid precursors. The biological activity of tannins on rumen microbes, measured as a 0–6.9% effect on gas production with rumen liquor in vitro, was less precisely predicted by MPLS ( R2 = 0.49, SECV = 1.49%). The biological activity per gram of chemical tannins could not be predicted by NIR spectroscopy in the material studied. Acid detergent fibre, neutral detergent fibre, crude protein and gas production in vitro were predicted with R2 = 0.95 to 0.96 ( SECV = 18.2, 24.8, 10.1 g kg−1 or 7.2 mL g−1).
Multivariate Classification of Different Soyabean Varieties
Authors: Turza Sándor , Tóth Árpád I. , Váradi Mária
Published: May 2009

Soyabean flours, as additives and protein enrichment materials to foods having low protein content, have a major role in the food industry to increase the nutritional value of processed products. In the technology of soyabean flour production there is a great need for rapid information about the oil–protein complex of raw soyabean varieties. The main goal of our present investigation is to develop classification models, which are adequate to set the process parameters of soyabean flour production. We gathered raw soyabeans from the Agricultural Producing and Trading Inc. of Boly, Hungary. Fifteen different types, spanning three years, were studied by NIR using a NIRSystems 6250 monochromator. For pretreatment of the raw spectra smoothing and 2OFD (Second Order of Finite Difference) algorithms were used. PCA was performed and loading spectra were analysed to gain information on the main regions of interest. Based on the selected wavelength regions SIMCA classification was carried out. The results show that between years certain types of raw soyabeans are stable in oil–protein composition. In addition, the ratio of the constituents in the selected types is suitable for the above mentioned technology.
Simultaneous Determination of Physical and Chemical Properties of Sodium Chloride Solutions by near Infrared Spectroscopy
Authors: Lin Jie , Brown Chris W.
Published: May 2009

Near infrared (NIR) spectroscopy has been investigated as a new technique for the simultaneous determination of physical and chemical properties of NaCl solutions. The spectra of NaCl solutions (0 to 5 M) were measured with cuvettes in the 1100–2500 nm and 680–1230 nm regions at temperatures between 23.0 and 28.5°C, and with a fibre-optic probe in the 1100–1870 nm region at room temperature (23.0 ± 0.5°C). These spectra were correlated with various properties of NaCl solutions by principal component regression (PCR) and multilinear regression (MLR) models. The properties studied include water concentration, density, refractive index, relative viscosity, freezing point depression, osmolality, electrical conductance and activity coefficient of NaCl. Very good correlations were found between the NIR predicted values and literature values. The results of this study demonstrate that several properties of NaCl solutions can be determined simultaneously with NIR spectroscopy. Remote sensing of the properties can be performed with the use of a fibre-optic probe.
Prediction of Fatty Acid Content in Beef Neck Lean by near Infrared Reflectance Analysis
Authors: Windham William R. , Morrison W.H.
Published: May 2009

Near infrared (NIR) spectroscopy in the prediction of individual and total fatty acids of bovine M. Longissimus dorsi neck muscles has been studied. Beef neck lean was collected from meat processing establishments using advanced meat recovery systems and hand-deboning. Samples ( n = 302) were analysed to determine fatty acid (FA) composition and scanned from 400 to 2498 nm. Total saturated and unsaturated FA values ranged from 43.2 to 62.0% and 38.3 to 56.2%, respectively. Results of partial least squares (PLS) modeling shown reasonably accurate models were attained for total saturate content [standard error of performance ( SEP = 1.10%); coefficient of determination on the validation set ( r2 = 0.77)], palmitic ( SEP = 0.94%; r2 = 0.69), unsaturate ( SEP = 1.13%; r2 = 0.77), and oleic ( SEP = 0.97; r2 = 0.78). Prediction of other individual saturated and unsaturated FAs was less accurate with an r2 range of 0.10 to 0.53. However, the sum of individual predicted saturated and unsaturated FA was acceptable compared with the reference method ( SEP = 1.10 and 1.12%, respectively). This study shows that NIR can be used to predict accurately total fatty acids in M. Longissimus dorsi muscle.
Near Infrared Spectroscopic Determination of Moisture Content in Foods: Extraction Method by Organic Solvents
Authors: Takamura H. , Endo N. , Matoba T.
Published: May 2009

In order to get a common NIR calibration equation which can be adapted to the determination of moisture content in various types of foods, we have tried to develop a water extraction method from foods by organic solvents. We used various starches and powder foods as the model. NIR spectra of various solvents containing water showed a clear band due to water around 1930 nm. Of the solvents used, this band in N,N-dimethylacetamide (DMA), N,N-dimethylformamide (DMF) and dimethyl sulfoxide (DMSO) systems was not shifted by the change of the moisture content. Then, the moisture was extracted from starch by these solvents. Approximately 60% was consistently recovered in a single-step extraction by DMA or DMF. The extraction by DMSO was too viscous to handle. The calibration equation was developed from the results for the extraction from starch by DMA. Then, moisture contents of powder foods were predicted using the calibration equation. For six of eight foods, good correlations were obtained between the laboratory values and the predicted values. These results suggest that this NIR method coupled with extraction is useful for the determination of moisture content with a common calibration equation for various kinds of foods.
Robustness of NIR Calibrations for Soluble Solids in Intact Melon and Pineapple
Authors: Guthrie John , Wedding Brett , Walsh Kerry
Published: May 2009

The soluble solids content of intact fruit can be measured non-invasively by near infrared spectroscopy, allowing “sweetness” grading of individual fruit. However, little information is available in the literature with respect to the robustness of such calibrations. We developed calibrations based on a restricted wavelength range (700–1100 nm), suitable for use with low-cost silicon detector systems, using a stepwise multiple linear regression routine. Calibrations for total soluble solids (°Brix) in intact pineapple fruit were not transferable between summer and winter growing seasons. A combined calibration (data of three harvest dates) validated reasonably well against a population set drawn from all harvest dates ( r2 = 0.72, SEP = 1.84 °Brix). Calibrations for Brix in melon were transferable between two of the three varieties examined. However, a lack of robustness of calibration was indicated by poor validation within populations of fruit harvested at different times. Further work is planned to investigate the robustness of calibration across varieties, growing districts and seasons.
Application of near Infrared Spectroscopy to the Measurement of Cell Mass in Solid Cultures of Mushroom
Authors: Suehara Ken-Ichiro , Nakano Yasuhisa , Yano Takuo
Published: May 2009

Near infrared (NIR) spectroscopy was applied to the prediction of the growth rate of mushroom, Ganoderma lucidum, in a solid culture. Cell mass is conventionally measured by analysing the concentration of glucosamine which is a component of the cell wall. The correlation between the concentration of glucosamine obtained by the conventional method and that obtained by NIR spectroscopy was examined by multiple regression analysis. The value predicted by NIR spectroscopy was in fairly good agreement with that obtained by the conventional method. This result suggests that NIR spectroscopy is applicable to the prediction of growth rate in the solid culture and gives a useful method for the control of mushroom production.
Quantification of an Active Substance in a Tablet by NIR and Raman Spectroscopy
Authors: Jedvert Ingela , Josefson Mats , Langkilde Frans
Published: May 2009

Spectroscopic techniques in combination with chemometrics give opportunities to analyse tablets without time-consuming sample preparation. The aim of the present study was to develop a method to quantify the active substance, isosorbide-5-mononitrate, in Imdur® 120 mg tablets either by NIR diffuse reflectance or Raman spectroscopy. The calibration set was selected to simulate, with the available samples, as closely as possible a full factorial design with three factors. The reference method was liquid chromatography (LC). Calibration models with different baseline correction methods, different parts of wavelength range and different measures of weights have been evaluated. The calibration model found for each spectroscopic technique is discussed. The accuracy for the spectroscopic techniques were equal in merit to the LC method. Both the NIR and the Raman calibrations also showed a good long-term stability. With the baseline correction methods used for the spectra, it was possible to analyse tablets after 1.5 years. In conclusion it is possible to quantify Imdur® 120 mg with either NIR or Raman spectroscopy.
Structural Investigations and Monitoring of Polymerisation by NIR Spectroscopy
Authors: Lachenal Gilbert
Published: May 2009

Near infrared (NIR) spectra can give relevant information on the chemical and physical state of polymers and polymeric composites. Degree of cure, mechanism of reaction, crystallinity, orientation, water content and hydrogen bonding can be studied using NIR spectra without any sophisticated mathematical treatments. Some NIR applications are reviewed.
Water Accessibility in Aliphatic Polyamides by NIR and FT-IR Spectroscopies
Authors: Chaupart N. , Serpe G.
Published: May 2009

The capabilities of FT-IR and NIR spectroscopies to analyse water absorption mechanisms in aliphatic semi-crystalline polyamides (PA) are presented. This work was carried out on PA6, PA11 and PA12 and was divided into three parts: (1) assignment of the NIR absorption bands of PA11; (2) comparison of FT-IR and NIR results on water accessibility; (3) comparison of solubility values given by gravimetric and spectroscopic methods. Primarily, the water accessibility for the polyamides tested can be estimated by FT-IR as well as by NIR. The NIR technique is more appropriate for melt processed samples, as film casting (for FT-IR) can induce structural modifications. The scheme of water incorporation in polyamides is confirmed. The complete hydration of some regions of the polymer is proved by correlation between gravimetric and NIR data. Finally, a concept for intrinsic solubility is suggested to take into account spatial and structural distributions of water molecules in the amorphous phase of polyamides. This parameter remains constant with temperature.
Near Infrared Spectroscopy and Chemometrics Analysis of Linear Low-Density Polyethylene
Authors: Shimoyama Masahiko , Ninomiya Toshio , Sano Kimi , Ozaki Yukihiro , Higashiyama Hisamitsu , Watari Masahiro , Tomo Masahiro
Published: May 2009

Near infrared (NIR) diffuse reflectance spectra have been measured using a rotating drawer for pellets of 16 kinds of linear low-density polyethylene (LLDPE) with short branches and PE without any branches to propose a calibration model which predicts their density and to increase the understanding of NIR spectra of LLDPE. The density of the LLDPE samples investigated was in the range 0.911–0.925 g cm−3. Partial least squares (PLS) regression has been applied to the original NIR spectra data set, their second derivatives and the spectra after multiplicative scatter correction (MSC) treatment to make up the models. The correlation coefficient was calculated to be 0.961, 0.965 and 0.970 for the original NIR spectra, their second derivatives and those with the MSC treatment, respectively, and the standard error of prediction ( SEP) was found to be 0.001 g cm−3 for all the cases. The regression coefficients plot for the calibration models shows that bands at 1192, 1376 and 1698 nm due to the overtone and combination modes of the CH3 groups play important roles in the prediction of density.
In-Line Monitoring of Polymer Extrusion Processes by NIR Spectroscopy
Authors: Rohe Th. , Becker W. , Krey A. , Nägele H. , Kölle S. , Eisenreich N.
Published: May 2009

NIR spectroscopy has become an analytical tool frequently used in many chemical production processes. Its use in polymer processing applications such as polymer extrusion would greatly increase product quality. Parameters of interest in this application are composition of the processed polymer, moisture or reaction status in reactive polymeric systems, as well as rheological parameters such as melt flow index (MFI) or viscosity. The measurement of NIR spectra could provide a way to control the processes. For this purpose a transmission sensor was developed for the application of NIR spectroscopy to extrusion processes. This sensor includes fibre optical probes and a measuring cell that can be adapted to the various extruders for in-line measurements. In contrast to mid-infrared sensors, it uses optical quartz components, which provides a low-cost solution. Extrusion processes at temperatures up to 300°C and pressures up to 35 MPa have been investigated. The application of multivariate analysis for PE/PP blending demonstrated the performance of the system with respect to process monitoring. In this case deviations between predicted and actual polymer composition were below 2%. Together with an AOTF spectrometer that was also developed, the complete system is suitable for harsh industrial environments and could lead to improved extrusion processes.
Determination of Ethanol and Methyl Tert-Butyl Ether (MTBE) in Gasoline by NIR–AOTF-based Spectroscopy and Multiple Linear Regression with Variables Selected by Genetic Algorithm
Authors: Guchardi Renato , da Costa Filho Paulo Augusto , Poppi Ronei J. , Pasquini Celio
Published: May 2009

This paper describes a near infrared spectroscopic method developed for determination of ethanol and methyl tert-butyl ether (MTBE) as additives in gasoline. The methodology employs data collected from a near infrared spectrophotometer whose monochromator is an Acousto-Optic Tunable Filter (AOTF) operating in the 1500–2400 nm range. Genetic Algorithm variable selection was used in the multiple linear regression (MLR) modelling. Seven wavelengths were selected by the algorithm and the results obtained by MLR revealed that the method produces improved results, when compared with the PLS regression method, as confirmed by the lower RMSEP obtained for ethanol and MTBE determination. Besides the improvement achieved in the analytical results, the variable selection allows a reduction in the time necessary for data acquisition. This fact has special importance when AOTFs are being used as the monochromator element. The AOTF's capability of random access to the selected wavelengths can be employed to access the necessary information very rapidly, enabling the methodology to be used for in-line monitoring of fuel additives.
Clinical Chemistry and near Infrared Spectroscopy: Multicomponent Assay for Human Plasma and its Evaluation for the Determination of Blood Substrates
Authors: Heise H.M. , Marbach R. , Bittner A. , Koschinsky Th.
Published: May 2009

A multicomponent assay for the blood substrates of total protein, glucose, total cholesterol, triglycerides and urea in human EDTA-plasma by FT-IR spectroscopy is described. Transmission near infrared spectra of plasma were recorded using a 1 mm cell. Partial least-squares was applied for multivariate calibration taking into account optimising the spectral ranges of absorbance or logarithmised single beam spectra. The standard errors of prediction for the population of 124 plasma samples of different patients calculated by cross-validation are in the range of clinical acceptance for protein, cholesterol and triglycerides, whereas glucose assay performance is slightly above the recommended level. The relative standard error of prediction for urea is 12.7% based on the mean concentration of the population studied. Within an error variance analysis, the contributions of the reference method and the spectrometric measurement to the average (RMS) prediction error have been estimated for each substrate giving evidence of the spectrometric method limitations. The potential for further improvement is discussed.
Multivariate Determination of Human Serum Albumin and γ-Globulin in a Phosphate Buffer Solution by near Infrared Spectroscopy
Authors: Murayama Koichi , Yamada Keiichi , Tsenkova Roumiana , Wang Yan , Ozaki Yukihiro
Published: May 2009

Near infrared (NIR) spectra in the 1300–1850 nm region were measured for phosphate buffer solutions containing both human serum albumin and γ-globulin with various concentrations. The concentrations of albumin and γ-globulin were determined by partial least squares (PLS) regression analysis. The calibration for albumin in the concentration ranges of 0.100–8.000 g dL−1 yielded the correlation coefficient ( R) of 0.998, the standard error of calibration ( SEC) of 0.124 g dL−1, and the standard error of prediction ( SEP) of 0.152 g dL−1, respectively. Those for γ-globulin in the concentration ranges of 0.100–6.000 g dL−1 yielded were 0.998, 0.110 g dL−1 and 0.118 g dL−1, respectively. The regression coefficients ( RCs) of PLS factors for albumin were compared with those for γ-globulin. The differences were discussed for each RC between albumin and γ-globulin. The coefficient of variation ( CV) was calculated to be 0.0388 and 0.0374 for albumin and γ-globulin, respectively. The ratio of standard derivation of reference data in prediction set to SEP ( RPD) are 13.4 and 16.4 for them. These values obtained in the present study satisfy the demands of clinical analysis of blood. The present results demonstrate that it is possible to determine the concentrations of the two kinds of proteins in the solution simultaneously by use of NIR and PLS regression.
The Standards, Measurements and Testing Programme (SMT)—The European Support to Standardisation, Measurements and Testing Projects and its Proposed Activities in the 5th Framework Programme
Authors: Boenke A.
Published: May 2009

The objectives of the EC, SMT-Programme include the provision of research and technical support to standardisation and health of the society when it is required to improve the competitive position of European industry, and for the development or implementation of Community policy.1 These objectives led to the EC, SMT-workprogramme, which is divided in the following three THEMES: THEME I: Measurements for Quality European Products Including Written Standards for Industry, THEME II: Measurements Related to Written Standards and Technical Support to Trade, THEME III: Measurements Related to the Needs of Society. These themes were accessible through participation in different calls for proposals. The European Commission's proposal for the 5th Framework Programme explains that harmonised and validated methods, as well as instrumentation in Europe, together with the establishment of international traceability of measurements, are needed to ensure quality and sustainability of industrial products, services, to remove barriers to trade, to promote mutual recognition agreements and to combat fraud. Consequently, the following objectives of Measurements and Testing as a generic activity within the 3rd Thematic Programme, Promoting Competitive and Sustainable Growth, were proposed: (a) pre-normative research and technical support to standardisation, (b) the fight against fraud, (c) improvement of quality of products and services. These objectives include instrumentation (e.g. Sensors, etc.), reference methods and certified Reference Materials (CRM) as important measurement and testing tools.
Remote Sensor Systems for the Automated Identification of Plastics
Authors: Huth-Fehre T. , Feldhoff R. , Kowol F. , Freitag H. , Kuttler S. , Lohwasser B. , Oleimeulen M.
Published: May 2009

In many production processes it is necessary to identify plastics prior to sorting, purification or forming steps. Another large field is recycling, where, due to the relatively low value of the material handled, high throuputs at low costs are of essence. The article contains principle considerations about how to make a remote identifier fast and economic. Examples are elaborated on different material streams.
Near Infrared Spectrometric Analysis of Food and its Achievable Performance
Authors: Büning-Pfaue H. , Hartmann R. , Kehraus S. , Urban C.
Published: May 2009

The application of near infrared (NIR) spectrometry to the analysis of the main quality determining constituents in meat products, ‘consumable meals’ and raw potatoes is investigated in order to describe the achievable analytical performance. Besides, practical requirements and experiences in method development to these different food groups are briefly described.
Near Infrared Spectroscopy: A Uniform Measuring Technology for a Sustainable Dairy Production System
Authors: Tsenkova R.
Published: May 2009

The proposal presents an approach to define criteria for sustainable dairy management based on automated real time spectral data acquisition, monitoring and system analysis of spectral data acquired simultaneously from biological objects and biological processes in a dairy production system.
Experience with Certified Reference Material Proficiency Testing for Quality Control of Wheat
Authors: Budai Judit , Fükó Judit
Published: May 2009

The Chemical Section of OMH1,2 embarked on the preparation of a series of wheat samples as Certified Reference Materials (CRMs) in 1992. The certification processes were carried out according to the recommendations of ISO. Since then we have developed a series of flour samples as well. The investigations of the long-term stability and the application of wheat and flour CRMs are continuous. Wheat is one of the most widely grown crops in Hungary and it is one of the major determining factors of the economy. Its uniform and objective qualification is of great importance. There are well-equipped laboratories available with sufficient experience but, as the proficiency testing regularly showed, certified samples need to be used to achieve exact and uniform measuring results.
Measuring Potassium in Plant Tissues Using near Infrared Spectroscopy
Authors: Ciavarella Susan , Batten Graeme D. , Blakeney Anthony B.
Published: May 2009

Near infrared (NIR) spectroscopy is routinely used to determine constituents with organic bonds which absorb electromagnetic radiation in the region 1100 to 2500 nm. The nitrogen fertilizer requirements of cereal crops are determined from the analysis of vegetative samples by NIR spectroscopy. Simultaneous determination of other plant-essential elements would enhance the value of the analysis. Compared to nitrogen, other essential elements are either present at a lower concentration in the tissue or present largely in an inorganic form which is not detectable by NIR spectroscopy. In this paper we report NIR spectroscopic calibrations for potassium in grape petioles, grape leaves, rice shoots and orange leaves. When tested against a set of verification samples the NIR spectroscopic calibrations accounted for 96, 89, 93 and 85% of the concentration of K with standard errors of performance of 0.16, 0.12, 0.18 and 0.17%K respectively.
The Use of the InfraAlyzer 260 Whole Grain for Water and Fat Determination in Pork Meat
Authors: Czarnik-Matusewicz Henryk W. , Korniewicz Adolf
Published: May 2009

This study describes an investigation into the utility of the filter near infarared (NIR) instrument – InfraAlyzer 260 Whole Grain (Bran+Luebbe GmbH) for the routine analysis of pork meat composition in a rapid and cost-effective manner. Water and fat were the proximate constituents selected for investigation on the grounds of their importance in pork meat processing and marketing. Fresh slices of Longissimus dorsi (LD) muscle weighing approximately 300 g were taken from carcasses. The LD samples were then cut and homogenized with a rotating knife homogenizer prior to NIR and chemical analysis according to the ISO-procedures. The selected samples ( n = 79) were scanned in an open sample cup using all 19 filters of an InfraAlyzer 260 Whole Grain with wavelenghts between 1110 and 2310 nm. The process of calibration (MLR method) was performed by using SESAME ver. 2.10 software (Bran+Luebbe GmbH) on an interfaced PC computer. Standard errors of calibration were 0.16 % for water and 0.17 % for fat. Calibrations were validated with an independent set of 21 samples of the same types. Standard errors of validation were 0.17 % and 0.20 % for water and fat, respectively. The obtained results show that InfraAlyzer 260 Whole Grain can be used for the rapid and accurate analysis of components of the pork meat.
Nondestructive Analysis for Nitrogens of Soils by near Infrared Reflectance Spectroscopy
Authors: Cho R. K. , Lin G. , Kwon Y. K.
Published: May 2009

Traditional wet analytical method such as the gravimetric, Kjeldahl or Walkley-Black method are still the most widely used for determining the organic matter (OM), moisture and notal nitrogen (T–N) content of soils. However, these are time-consuming, high in cost and labour intensive as well producing harmfull pollutants making the method undesirable for field measurement. Over three years we have been working on the development of a non-destructive on-site analyser for measuring OM, moisture and T–N. In this research we investigated the possibility of using near infrared (NIR) spectroscopy for the non-destructive analysis of T–N, inorganic and available nitrogen in domestic soil samples.85 soil samples of upland over the Kyungpook prefecture were colledted to make a calibration and validation. Dried soil samples were packed in the closed-cup and the NIR spectra data was measured from 1100–2500 nm using a scanning type NIR instrum, InfraAlyzer 500 and filter type NIR instrument, InfraAlyzer 400, which has a modified sample compartment. Multiple linear regression analysis between the content of soil properties determined by the traditional method and the NIR spectral data were conducted to develop an non-destructive analysing equation for T–N, inorganic and available nitrogen. In the case of the scanning type, the standard error or prediction were 0.028%. 1.7 mg−1 and 1.1 mg−1 for T–N, inorganic and available nitrogen respectively. The prediction results in the filter type appeared to have the same accuracy as the scanning type. It is concluded that NIR spectroscopy could be used to predict soil nitrogen compounds such as total nitrogen, inorganic and available nitrogen non-destructively.
Near Infrared Assessment of Vegetable Quality
Authors: Scotter Christopher N.G.
Published: May 2009

NIR reflectance spectroscopy has been applied to the assessment of product quality factors for vining peas and sweetcorn. A CCFRA Industrial Research Club and an EU research consortium led by CCFRA, have been conducting the work since 1994. Sample sets of peas have been collected which are broadly representative of commercial material in the UK, Hungary, and Bulgaria All sweetcorn samples were from Hungary. The calibration results, at this stage, for alcohol insoluble solids (AIS) in peas and sweetcorn, and Tenderometer measurement and sensory assessment for both vegetables indicate that the work will find industrial application.
Evaluating Techniques for Rice Grain Quality Using near Infrared Transmission Spectroscopy
Authors: Shimizu Naoto , Katsura Jyunji , Yanagisawa Takashi , Tezuka Bunji , Maruyama Yasuyuki , Inoue Shigeru , Eddison Colin G. , Cowe lan A. , Withey Robin P. , Blakeney Anthony B. , Kimura Toshinod , Yoshizaki Shigeru , Okadome Hiroshi , Toyoshima Hidechika , Ohtsubo Ken'ichi
Published: May 2009

The development of advanced evaluation techniques for rice quality has been a desire of the Japanese rice industry (breeding, distribution and processing). The objective of the present study is to develop novel techniques for evaluating rice grain quality. A reliable determination method for amylose in whole grain rice using near infrared transmission (NIT) is proposed, using Partial Least Squares (PLS) regression analysis. It was suggested from results based on two different validation methods that the PLS models have possibilities for determination of apparent amylose content using NIT spectroscopy. PLS modelling for constituents important in rice quality indicates that reasonably accurate models are attainable for moisture content and protein content in whole grain rice. However our PLS models were not sufficiently accurate for physical rice quality (head rice ratio, apparent density, whiteness) using NIT spectroscopy.
A New High Pressure Cell for Infrared Reflection Spectroscopy
Authors: Abdullah A.H. , Sherman W.F.
Published: May 2009

This paper describes a new high pressure cell which was designed to work up to a pressure of about 8 kbar. A study of phase transitions of ammonium bromide and ammonium iodide using the infrared (IR) reflection spectra in the range from 1000 cm−1 to 1700 cm−1 was utilized to check the validity of measurements made with this cell. The incident IR radiation entered the pressure cell through a zinc sulphide window. The obtained data agrees very well with the established data for the phase transition of ammonium bromide and iodide.
Mid Infrared Acousto-Optical Tunable Filter-Spectrometer for Rapid Identification of Black Plastics from Automobile Construction
Authors: Kowol F. , Oleimeulen M. , Freitag H. , Huth-Fehre T.
Published: May 2009

Black plastics are common compounds of many technical devices and consumer goods. A well known example is the usage in automobile construction. Plastic recycling is gaining more and more importance, with fast plastic type identification being an essential question. This article presents a cost-effective and rugged alternative to FT-IR techniques, based on an acousto-optical tunable filter spectrometer, which is able to master the special difficulties in the recognition of black plastics.
A Simple Testing Procedure for near Infrared Instruments
Authors: Barabás B.
Published: May 2009

The testing and adjusting procedure of near infrared (NIR) spectrophotometers is based on the measurement of some standards and, if necessary, on the adjustment of the constants in the calibration equation. For this work some use few standards, whereas others use 20 or more. This work was aimed to determine the range of error compensation and the minimum number of standards required. The experiments were applied to wheat protein measurement using two scanning spectrophotometers. The errors in the NIR measurements were characterised as bias, skew, error derived from skew ( Eskew) and standard error of difference corrected for bias and skew ( SEDc) parameters and supposed that errors derived from the change in the wavelength or reflectance of the instrument. The confidence intervals of bias and skew, derived from duplicate measurements of various numbers of wheat standards, were used to determine the minimum number of standards required. The range of error compensation was defined with those bias values, where SEDc was smaller, than an acceptable limit. The range of compensation corresponded to a bias value of ± 8 g kg−1 for wheat protein measurements. The detection of error of measurements required 4 wheat standards. The elimination of errors of bias and skew required 9 standards within the above limits. The developed procedure was tested in case of real instrument error. Diminishing a bias from 5.2 g kg−1 to 0.7 g kg−1 and the root mean square difference ( RMSD) to an acceptable level required the use of 9 standards, similar to the model experiment. The simplicity and rapidity (about 10 min) of the procedure enabled the routine test of NIR instruments. The range of error compensation and the number of standards referred to wheat protein. The simple modelling procedure proved also suitable for the determination of these values for other components and under other measuring conditions.
Studies to Measure Cotton Fibre Length, Strength, Micronaire and Colour by Vis/NIR Reflectance Spectroscopy. Part I: Descriptive Statistics of Fibre Properties and Reflectance Spectra
Authors: Montalvo Joseph G. , Faught Sherman E. , Ramey Harmon H. , Buco Steven E.
Published: May 2009

Fibre property data representing the 1989 and 1990 crop years and its reflectance spectra are analysed using standard error, regression and correlation analysis. The six properties of interest are upper-half mean length, uniformity index, strength and micronaire measured on two high volume instrument systems placed side-by-side, and colour (Rd and +b) measured by the traditional lab system. Visible (vis) and near infrared (NIR) reflectance spectra are observed on a scanning spectrophotometer, and span the 400–2500 nm range. Three findings highlight the research. One, a diagnostic test is presented to decide, a priori of reflectance spectroscopy, the degree to which the mean property values have reduced random error. Two, the standard error of replicate spectra provides a way to probe the fibre mass in the diffuse reflectance optical path. The spectral error is strongly influenced by both how the cotton is packed into the spectrophotometric cell and the non-homogeneity of the sample. And three, correlations between the spectra confirm that some visible and NIR wavelength regions contain mutually exclusive information about the properties of this natural staple.
Comparison of Different Modalities of Outlier Treatment for Qualitative near Infrared Spectra
Authors: Ilie Mihaela , Ionita-Manzatu Mirela , Blagoi Gabriela , Vasilescu Mihaela , Puica Madalina
Published: May 2009

Different possibilities of treatment for NIR spectra were analysed, including usual parametric statistical methods in order to ascertain the affiliation of an individual measurement to a certain data set for the same product. These methods were compared with the results obtained by using NSAS procedures for qualifying individual samples. Both the training set used for generating the fingerprint of a product and individual measurements were represented in a polar co-ordinate system to permit a quick view of fingerprint zone and position of “suspicious” individual measurement.
Use of a Genetic Algorithm for Factor Selection in Principal Component Regression
Authors: Frost Volker J. , Molt Karl
Published: May 2009

The critical point in the development of principal component regression (PCR) calibration programs is the automatic factor selection step. In classical methods this is based on a differentiation between primary and secondary factors and other statistical assumptions and criteria. In contrast to this the Genetic Algorithm (GA) used for factor selection in this paper finds the optimal combination of factors without statistical constraints beyond an appropriately chosen fitness function.
Rapid Non-Destructive Raw Material Identification in the Cosmetic Industry with Near-Infrared Spectroscopy
Authors: Grunewald Horst , Kurowski Christel , Timm Dagmar , Grummisch Uwe , Meyhack Ulrich
Published: May 2009

Since January 1997 manufacturers of cosmetics products have to follow GMP guidelines. The manufacturer is required to supply extensive product information, comprehensive and exact production guidelines, analytical controls and detailed raw material data. As a result it is strongly recommended to each manufacturer of cosmetic products to install a quality control department. Regulations already accepted and applied in the Pharmaceutical Industry are expected to become more and more important for the cosmetic industry as well. In order to meet legal requirements the cosmetic industry will be forced to instigate a periodical quality control. To accommodate this protocol each container must be checked to see if the content corresponds to the description on the packaging material. A fast and reliable technology is necessary to fulfil these demands! Near-Infrared (NIR) technology plays an increasingly important role in manufacturing as industry strives to improve quality and process efficiency while reducing costs. By controlling the identity of every raw material container, rather than just a small number of samples, a significantly processing benefit will be assured.
Short-Wave near Infrared Spectra of Organic Liquids
Authors: Bonanno Anthony S. , Griffiths Peter R.
Published: May 2009

Multi-quanta vibrational transitions are discussed in terms of the local mode model in order to develop a better understanding of the features observed in the short-wave near infrared (700–1100 nm) spectra of organic liquids. It is demonstrated that the spectra of simple alkanes and alcohols exhibit local mode features, and that these features are characteristic of molecular structure and will, therefore, be useful for quantitative and qualitative analysis.