bluuebunny/crossref_metadata_2025 huggingface dataset:
Chemeorheology: A New Design for Simultaneous Rheological and Fourier Transform near Infrared Analysis
Authors: Benali S. , Bouchet J. , Lachenal G.
Published: May 2009

In this paper we present a new laboratory-made system which allows the combination of rheometer dynamical analysis (RDA) and Fourier transform near infrared (FT-NIR) spectroscopy. Dynamic rheological data and NIR spectra were simultaneously collected. Previous studies of thermosetting systems and, more particularly, polyurethane studies, manufactured by the reaction injection moulding (RIM) process, emphasised the need for simultaneous rheological and kinetic measurements. The rheological measurements, performed using RDA, were obtained using oscillatory shear experiments at variable angular frequencies between two parallel plates. In-situ monitoring of the extent of reaction of the investigated polyurethane was carried out at room temperature using fibre-optic FT-NIR spectroscopy. Multivariate analysis of transmittance spectra was performed to calculate the degree of conversion. The appliance for simultaneous measurement is described and their advantages and limitations are briefly discussed. The viscoelastic behaviour and the extent of reaction were studied during reactive blending of polyurethane formation, especially at the critical moment of gelation. A good agreement is observed, between separate and simultaneous rheological-FT-NIR measurements. Indeed, rheological experiments (up to 100 Hz) are not perturbed by the increase of the weight of the RDA plates. The RDA-FT-NIR technique may provide a powerful tool for studying curing reactions of polymers for both industrial and academic communities.
Characteristics and Classification of Fourier-Transform near Infrared Spectra of the Heartwood of Different Larch Species (Larix sp.)
Authors: Gierlinger N. , Schwanninger M. , Wimmer R.
Published: May 2009

On axial and radial surfaces of larch heartwood Fourier-transform near infrared (FT-NIR) spectra were acquired with the aim of finding spectral differences and classifying between the three larch species ( Larix decidua, L kaempferi and L. eurolepis). Detailed investigation of the second derivative of the spectra revealed small differences according to the species in the small region from 6700 cm−1 to 6300 cm−1, allowing discrimination of the spectra according to species with principal components analysis (PCA), cluster analysis and soft independent modelling of class analogy (SIMCA), whereas unmodified spectra over the whole range (10000 cm−1 to 5100 cm−1) did not. Clear clustering according to species was found in the scores plots of the first and second principal components in PCA and in the dendrograms of cluster analyses. SIMCA allowed classifying 100% of the unknown spectra to the right species using spectra from axial surfaces and 87% using spectra from radial surfaces. The study shows that detailed investigation of FT-NIR spectra combined with multivariate data analysis is able to reveal differences and classification according to species and the potential of finding information not visible at first sight.
Relation of Representative Layer Theory to other Theories of Diffuse Reflection
Authors: Dahm Kevin D. , Dahm Donald J.
Published: May 2009

There is currently no single theoretical treatment of diffuse reflectance data that is definitive and applicable to all cases. Continuous and discontinuous mathematical approaches have each been developed, and each has merits and limitations. Discontinuous approaches usually incorporate the feature of modeling a sample as a series of distinct layers, parallel to each other and perpendicular to the incident beam. The Representative Layer Theory has been proposed as a mechanism for modeling a particulate sample as a series of layers, enabling one to use the discontinuous mathematics. This paper outlines the Representative Layer Theory, compares and contrasts it with other theories of diffuse reflectance and presents examples that illustrate the strengths and weaknesses of the various theories.
A Comparative Study on the Cure Behaviour of Thermal- and Microwave-Processed Epoxy Resin
Authors: Degamber Balkarransingh , Fernando Gerard F.
Published: May 2009

The cure characteristics of the epoxy resin system, LY 3505/XB 3403, is investigated using two different modes of heating. In the first instance, the resin is cured on alumina pans in a multimode microwave oven while near infrared spectra and the temperature of the samples are recorded in real time. The spectra are recorded using a non-contact optical fibre probe while the temperature is measured using a commercially available fibre optic sensor. The temperature profile recorded inside the microwave oven during cure is simulated in a differential scanning calorimeter and the experiment repeated using conventional heat. Comparison is made between the two heating techniques and their effects on the rate of cure, as well as the glass transition temperature, are discussed. The results obtained suggest that there is no “microwave effect”, in other words, the absence of an accelerated rate of conversion of the resin system in a microwave environment. However, the scale-up studies show that the onset of cure is much faster in the case of microwave heating. It is also found that microwaves have a tendency to preferentially heat the more polar amine molecules.
Effect of Water and Physical State on Near- and Mid-Infrared Partial Least Squares Calibrations for Multi-Component Carbohydrate Mixtures
Authors: Reeves James B.
Published: May 2009

The objective was to determine the effects of water and physical state on near- and mid-infrared calibrations for carbohydrate mixtures. Seventy-five mixtures of cellulose, starch, pectin, locust gum, glucose and xylitol were scanned in the near- and mid-infrared in three physical states (wet, simple mixtures of dry constituents and mixtures dried together). These final samples (mixtures dried together) were prepared by drying wet mixtures/solutions while under constant stirring to prevent separation of the insoluble polymers by settling, which occurs during normal oven drying. Final drying of the resulting solid mass was carried out in a vacuum oven at 60°C. The dried mass was then ground and scanned in the spectrometer. All dry samples were ground to a flour-like consistency using a A-10 Tekmar Analytical Mill to avoid effects due to gross differences in particle size. The wet samples were produced by adding sufficient water to result in samples of a putty like consistency. Spectra were taken on a Digilab FTS-65 Fourier transform spectrometer equipped with near- and mid-infrared benches by diffuse reflectance. Results demonstrated that the effects of water and physical state (matrix effects), seen previously with simple model systems, can be extrapolated to draw some general conclusions about real world calibrations, but that developing model systems to either predict the feasibility of developing a calibration or to determine the reason for the specific results of a calibration must be done with extreme care. For example, using simple mixtures of components to determine whether a calibration for the same components in a different physical condition (melted together, dried together etc.) might well lead to erroneous conclusions about its usefulness. Also, from the results, it would appear that factors (e.g. physical state) other than the mere presence of large amounts on water in samples can account for the decrease in calibration accuracy often seen in samples with high moisture contents as compared to their dried counterparts. Finally, the results seen using mid-infrared spectra indicate that mid-infrared diffuse reflectance spectroscopy might be feasible even with samples containing high percentages of water.
Prediction of Important Sulphite Pulp Properties from near Infrared Spectra: A Feasibility Study and Comparison of Methods
Authors: Henriksen Heidi Cecilie , Næs Tormod , Rødbotten Rune , Aastveit Are
Published: May 2009

In the pulp and paper industry, there is a need to replace some of the time-consuming, expensive pulp analyses used today. These methods could be replaced by rapid, non-destructive analyses. Near infrared (NIR) spectroscopy has proven to be an important tool in that context and has been used for several purposes in the sulphate pulping industry. However, very little work has been published for the sulphite industry. In this work, calibration models were made to predict Kappa number and viscosity of unbleached pulp. Since these pulp analyses are impossible to perform during processing, the NIR spectra were measured on the cooking liquor instead and then used to create calibration models for pulp properties. In order to find models with good predictive ability, four different preprocessing methods of the NIR spectra were tested, along with four different calibration methods. The results from this work demonstrate that NIR on cooking liquor can be used to predict pulp properties and, based on the validation results, the recommended model is partial least squares on 1st derivative spectra.
Near Infrared Reflectance Spectroscopy for Quantification of Crop Residue, Green Manure and Catch Crop C and N Fractions Governing Decomposition Dynamics in Soil
Authors: Stenberg Bo , Jensen Lars S. , Nordkvist Erik , Breland Tor Arvid , Pedersen Anders , GuÐmundsson Jón , Bruun Sander , Salo Tapio , Palmason Fridrik , Henriksen Trond M. , Korsaeth Audun
Published: May 2009

For environmental, as well as agronomic reasons, the turnover of carbon (C) and nitrogen (N) from crop residues, catch crops and green manures incorporated into agricultural soils has attracted much attention. It has previously been found that the C and N content in fractions from stepwise chemical digestion of plant materials constitutes an adequate basis for describing a priori the degradability of both C and N in soil. However, the analyses involved are costly and, therefore, unlikely to be used routinely. The aim of the present work was to develop near infrared (NIR) calibrations for C and N fractions governing decomposition dynamics. Within the five Nordic countries, we sampled a uniquely broad-ranged collection representing most of the fresh and mature plant materials that may be incorporated into agricultural soils from temperate regions. The specific objectives of the current study were (1) to produce NIR calibrations with data on C and N in fractions obtained by stepwise chemical digestion (SCD); (2) to validate these calibrations on independent plant samples and (3) to compare the precision and robustness of these broad-based calibrations with calibrations derived from materials within a narrower quality range. According to an internal validation set, plant N, soluble N, cellulose C, holocellulose (hemicellulose + cellulose) C, soluble C and neutral detergent fibre (NDF) dry matter were the parameters best predicted ( r2 = 0.97, 0.95, 0.94, 0.91, 0.90 and 0.94, respectively). However, the calibrations for soluble C and NDF were regarded as unstable, as their validation statistics were substantially poorer than the calibration statistics. The calibrations for all structural N fractions and lignin C were considered poor ( r2 = 0.47–0.70). By comparing our broad-based calibrations for plant N and NDF with similar calibrations for a sample set representing a commercial forage database, it was evident that the broad-based calibrations predicted a narrow-based sample set better than vice versa. For plant N, the residual mean squared error of prediction ( RMSEP), when testing the broad-based calibration with the narrow-based validation set, was substantially smaller than the RMSEP obtained when validating the broad-based calibration internally (1.8 vs 2.7 mg Ng−1 dry matter). Overall, the calibrations that performed best were those concerning the parameters most strongly influencing C and N mineralisation from plant materials.
The Rapid, At-Line Determination of Starch Content in Sucrose–Starch Blends Using Near-Infrared Reflectance Spectroscopy; A Process Analytical Technology Initiative
Authors: Swarbrick Brad , Grout Bronwyn , Noss James
Published: May 2009

A near infrared (NIR) reflectance spectroscopic method was developed for the rapid determination of starch content in the excipient material sucrose special powder, 4.6% starch. It was previously determined that the variability of starch content in individual bags within each delivery of this material was high. This required appropriate sample selection to provide a controlled content of starch before use in the pharmaceutical industry. Therefore, an NIR method was developed to reduce long laboratory testing time and to facilitate testing of the starch content of the material at-line in the receiving warehouse, [standard error of prediction ( SEP)NIR = 0.16% compared with 0.15% for the laboratory method]. Another important feature of the NIR starch model was its use as an at-line tool for in-house blending of sucrose–starch blends to determine blend homogeneity. In one particular application, a sucrose–starch blend, known to contain low starch levels, was spiked with commercially available starch and blended. The NIR method was used to make rapid decisions on content uniformity and the results obtained were in close agreement with laboratory assay data (mean starch content using the NIR method 4.5% compared with 4.6% for the laboratory method).
Detection of Variety Contamination in Milled Japanese Rice Using a Single Kernel near Infrared Technique in Transmittance Mode
Authors: Rittiron Ronnarit , Saranwong Innapa , Kawano Sumio
Published: May 2009

An authentication system for identifying the purity of a milled rice bulk using near infrared (NIR) protein determination was established. NIR spectra from 1100 nm to 1800 nm of single kernels acquired with fibre optics in transmittance mode were used. First, the effect of the degree of milling (DOM) on the NIR protein determination was examined. Then, to obtain a robust and accurate protein measuring system, a calibration equation was developed with variety and DOM compensation. Finally, by examining the normal distribution of the protein content measured by the single kernel NIR spectroscopy, a blended bulk could be separated from a pure bulk as it did not exhibit a normal protein distribution while a pure one did. However, the system would have less capability if the average protein content of the contrasting variety was close to that of the main variety. In the naturally acquired protein histogram, the system proposed had the capability to detect the blending when the Koshihikari bulk included 5% or more Akitakomachi kernels.
Assessing Peach Firmness by Multi-Spectral Scattering
Authors: Lu Renfu , Peng Yankun
Published: May 2009

The objective of this research was to investigate a multi-spectral scattering technique for measuring peach fruit firmness. A multi-spectral imaging system, which is capable of acquiring four spectral images simultaneously, was used to measure spectral scattering from “Red Haven” peaches, harvested at different ripening stages from two orchards, at wavelengths of 680, 880, 905 and 940 nm. Soft peaches had broader scattering profiles than firmer ones, which was most pronounced at 680 nm, the wavelength that is related to chlorophyll absorption. An empirical model, the Lorentzian distribution function with three parameters, was proposed to fit the restructured (shifted) scattering profiles for all four wavelengths, with the mean coefficient of determination ( r2) equal to or greater than 0.998. Multi-linear regression models were developed on relating Lorentzian parameters to fruit firmness. The best firmness predictions ( r2 = 0.757 and the standard error for validation or SEV = 14.57 N or Newtons) were obtained when separate models were developed for each orchard. When data from two orchards were pooled, the model was able to predict fruit firmness with r2 = 0.672 and SEV = 18.55 N. The multi-spectral scattering technique is non-destructive, fast and relatively easy to implement and it provides a non-destructive means for measuring peach fruit firmness.
In-Line Monitoring of Several Pilot Scale Catalytic Reforming Units Using a Short-Wavelength near Infrared Analyser
Authors: Xiaoli Chu , Hongfu Yuan , Wanzhen Lu
Published: May 2009

This paper reports a novel application of in-line, short wavelength, near infrared (SW-NIR) spectroscopy to monitor eight pilot scale reforming units, for real-time determination of research octane number (RON) and aromatic compositions (benzene, toluene, xylene and total aromatics) of reforming gasoline, by an on-line SW-NIR system constructed by ourselves. Robust partial least squares calibration models for sample composition and measurement conditions were built using a global calibration set including off-line and in-line samples. Prediction results of the global models, over a six month period, for the eight units show excellent correlation with the corresponding reference data. The spectral pretreatment method of mean sample residual spectrum correction was used to remove spectral difference among multi-channels caused by small coupling differences among fibres and the multiplexer in the analyser. The prediction statistics showed consistency among the eight channels without any systematic errors. The applications of the NIR analyser can rapidly reflect the state of the process at a given time without any operator intervention. Moreover, the high stability and ruggedness of the CCD array-based on-line instrumentation guarantees easy and reliable operation.
The Ability of Visible and near Infrared Reflectance Spectroscopy to Predict the Chemical Composition of Ground Chicken Carcasses and to Discriminate between Carcasses from Different Genotypes
Authors: McDevitt R.M. , Gavin A.J. , Andrés S. , Murray I.
Published: May 2009

The potential of visible and near infrared (NIR) spectroscopy to predict the fat, crude protein (CP) and ash content (g kg−1 DM) in dry ground chicken carcasses was evaluated. In addition, NIR spectroscopy was used to discriminate between ground carcasses from three different chicken genotypes: fast-growing broiler, slow-growing broiler and a layer-type chicken. When corrected for age and body mass (BM), the fast-growing broiler had the highest fat content and the lowest CP and ash content of the three genotypes. In contrast, the layer genotype had the highest CP and ash content and the lowest fat content. The fat, ash and CP content were intermediate in the slow-growing broilers. Spectra could explain a high proportion of the variability in carcass composition with respect to fat ( R2 = 0.93) and CP ( R2 = 0.86) content but less so for the ash content ( R2 = 0.71). Carcasses could be accurately classified according to chicken genotype or dietary treatment using NIR. However discrimination between male and female birds was not so clear, probably because all the birds used in the study were sexually immature.
Measurement of the Irganox Content in Polypropylene Polymers during Extrusion
Authors: Becker Wolfgang , Eisenreich Norbert
Published: May 2009

Near infrared spectroscopy was used as an in-line control system for the measurement of polypropylene filled with different amounts of Irganox additives. For this purpose transmission probes were installed in an extruder. The probes can withstand temperatures up to 300°C and pressures up to 60 MPa. Transmission spectra of polypropylene mixed with an Irganox additive were recorded. PCA score plot was carried out revealing the influence of varying conditions for the mixing of the sample preparation. Prediction models were generated with partial least square regression which resulted in a model which estimated Irganox with a coefficient of detremination of 0.984 and a root mean square error of prediction of 0.098%. Furthermore the possibilities for controlling process conditions by measuring transmission at a specific wavelength were shown.
Prediction by near Infrared Spectroscopy of the Composition of Plant Raw Materials from the Organic Fertiliser Industry and of Crop Residues from Tropical Agrosystems
Authors: Thuriès L. , Bastianelli D. , Davrieux F. , Bonnal L. , Oliver R. , Pansu M. , Feller C.
Published: May 2009

The dynamics of carbon (C) and nitrogen (N) of plant residues and organic fertilisers are of great interest for agricultural and global warming studies. The proportion of the fractions obtained from biochemical analyses (fibres by sequential Van Soest analysis) can be used for predicting both C and N transformation of organic materials in soils. Considering the expensive and time-consuming Van Soest method, the principal aim of this study was to elaborate near infrared (NIR) calibrations for fibres, in order to use them for consecutive studies (for example, our works on transformation of added organics or TAO model). A wide set of organic fertilisers and their raw materials was sampled, including plant materials originating from temperate (especially Mediterranean) and tropical regions. The particular objective of this work was to build NIR calibrations for fibre fractions, along with C and N content, in plant materials used in the organic fertiliser industry and green house gases mitigating strategies. The second particular objective was to test for two levels of validation of the equations previously elaborated: (1) validation with a set of randomly chosen samples that was not considered during the calibration step, (2) extrapolation of the predictive capacity of the equations when applying them to outliers that were previously discarded. The fibres were the best predicted parameters, as R² = 0.95, 0.91, 0.97, 0.97 for neutral detergent soluble, hemicelluloses, cellulose and lignin, respectively, whereas the characteristics of total organic matter had R² varying from 0.87 (N Kjeldahl) to 0.94 (C Dumas). The accuracy of the calibrations developed for fibres was confirmed by the first level of validation, since the standard errors of prediction were close to the corresponding standard errors of cross-validation and the standard errors of calibration. Nevertheless, the calibrations developed for ash and C Dumas were not so good. Surprisingly, at the second level of validation, some outliers were not so badly predicted. This can illustrate the robustness of the calibrations for cellulose, lignin and, to a lesser extent, N Dumas which are key parameters for our modelling works on C and N transformation of added organics in soils.
Prediction of Wood Mechanical and Chemical Properties in the Presence and Absence of Blue Stain Using Two near Infrared Instruments
Authors: Via Brian K. , So Chi-Leung , Shupe Todd F. , Eckhardt Lori G. , Stine Michael , Groom Leslie H.
Published: May 2009

The objective of this research was to (a) determine if blue stain in solid wood influenced calibration equations developed from a non-stained wood population, (b) assess the bias introduced when scanning was performed by the slave instrument without calibration transfer from the master instrument and (c) partition absorbance-based variation by instrument, stain and instrument × stain interaction. The results helped to determine the calibration transfer needed for this case. The dependent variables assessed from clear and stained wood were lignin, extractives, modulus of elasticity (MOE), modulus of rupture (MOR) and density When the master instrument was used for both calibration and prediction, it was found that stain-insensitive equations for the five traits could be built. However, when a slave near infrared instrument was introduced without calibration transfer, three out of five predicted traits were significantly biased by the presence of stain. Further analysis revealed an interaction between stain and instrument indicating that instrument bias was also introduced during scanning with a slave. For both multiple linear regression (MLR) and principal components regression (PCR), it was found that if a trait needed more wavelengths (or principal components) for prediction of the dependent variable, bias due to blue stain became increasingly prominent. PCR was found to perform better than MLR when stain was introduced with no calibration transfer. Such a finding alludes that PCR works better than MLR under extrapolation conditions but is not intended to support a lack of calibration transfer. Finally, the Mallows Cp diagnostic proved valuable in model selection although the well-known requirement of ( Cp – p ≤ 0) appeared conservative. For MLR and PCR, a Cp – p ≤ 5 often yielded applicable models while Cp – p > 7 was about the threshold where model performance dropped.
Evaluation of the Composition and Sensory Properties of Tea Using near Infrared Spectroscopy and Principal Component Analysis
Authors: Yan Shou He
Published: May 2009

This paper presents a thorough study of the methods available for evaluating tea quality by using near infrared (NIR) spectroscopy technology as an objective universal sensory assessment procedure. The first section of this systematic study reports the assessment of tea quality by correlating chemical components with sensory evaluation using principal component analysis scores and loadings. The first three PCs account for more than 94% of the variance in input data for four original chemicals (lignin, polyphenols, caffeine and amino acids). The correlation between PC1 scores alone and tea quality classes, given by sensory tastes, is higher with R2 > 0.98 in green and black teas. The second section focuses on the preparation of multi-equations in order to calibrate NIR determination of chemical components according to sensory assessment. The outcome of the established multiple linear regression equations was an ability to predict tea quality directly by NIR spectroscopy with a correlation r2 = 0.86 and with less than 9.7% misclassified samples in green and black tea. In the final section, some poor correlations between tea quality and market prices in the world are reported and we suggest that NIR technology can provide an internationally accepted, objective and rapid method to assess tea quality.
Sources of Measurement Variability and Their Effect on the Transfer of near Infrared Spectral Libraries
Authors: Bakeev Katherine A. , Kurtyka Bogdan
Published: May 2009

The use of near infrared spectroscopy for the rapid identification of raw materials has now become widely accepted. In order to facilitate the ease of use of such libraries it is beneficial to be able to transfer libraries from one instrument to another without making any adjustments to the spectral data or the spectral library. Often variability between samples from the same lot, instruments, sampling conditions and environmental conditions impact the performance of a spectral library. These factors also influence the ability to transfer a library or calibration from one instrument to another. To see how large an effect these variables have, a study of various cellulose powders was undertaken to measure the variability resulting from: glass vials, grades of material and lots and instruments, as well as day-to-day variation. It was found that the sources of variation had contributions in the order: material > day-to-day measurements > material lots > vial type > instrument.
Detecting Intestinal Ischemia Using near Infrared Spectroscopy
Authors: Sowa Michael G. , Kohlenberg Elicia , Payette Jeri R. , Leonardi Lorenzo , Levasseur Michelle A. , Riley Christopher B.
Published: May 2009

Blood supply to the intestine can suddenly be interrupted. Acute mesenteric intestinal ischemia often requires invasive surgery to restore blood supply to the intestine. Early correction of vascular insufficiency is the most important factor in improving patient survival when confronted with acute mesenteric intestinal ischemia. A prolonged loss of blood flow results in irreversible damage to the intestine that can lead to death. It is also imperative that dead segments of the intestines be removed. Several subjective criteria are relied upon to differentiate viable from non-viable tissue, unfortunately, these criteria can lead to an inaccurate assessment. A porcine model of intestinal ischemia was used to determine the efficacy of using near infrared (NIR) spectroscopy to find ischemic segments of the intestine and detect the onset of reperfusion following resolution of vascular occlusion. Nine segments of intestine were identified and six were assigned to three treatment groups; (1) segments undergoing no vascular manipulations, (2) segments undergoing arterial/venous occlusion and (3) segments undergoing arterial/venous occlusion followed by reperfusion. The remaining segments were used as spacers and interposed between each of the ischemia segments. A classification model, using partial least square discriminant analysis, was built on the spectra collected from the segments with no vascular manipulations and the segments that were solely subjected to arterial/venous occlusion. The spectra collected from the intestinal segments that experienced both occlusion and reperfusion were used to test the classification model. The model was able to detect and distinguish ischemic intestinal tissue with a specificity and sensitivity exceeding 80% with an overall classification accuracy of 89%. The method appears to be well suited as an intra-operative assessment method when intestinal ischemia is a concern.
Application of near Infrared Reflectance Spectroscopy to a Durum Wheat Breeding Programme
Authors: Sissons Mike , Osborne Brian , Sissons Shaylene
Published: May 2009

The breeding of new cereal grain varieties requires methods that are rapid and preferably non-destructive, to assess the quality of grain in early generations. Near infrared (NIR) spectroscopy has great potential to meet these requirements for the durum wheat breeder. In this study, sample sets representing durum wheats from an Australian durum breeding programme were used to develop several NIR calibrations. Useful predictive calibrations from scanning whole grain samples were developed for hectolitre weight, semolina yield, semolina b* and hardness, in addition to highly accurate calibrations for protein and moisture. It was not possible to adequately predict dough properties and black point percentage from whole grain scanning. A useful calibration to measure semolina browning reaction, applicable to early generation screening, was also developed. These calibrations have been extensively validated using large independent sample sets.
Understanding Factors Affecting near Infrared Analysis of Potato Constituents
Authors: Fernández-Ahumada Elvira , Garrido-Varo Ana , Guerrero-Ginel J. Emilio , Wubbels Arjan , Van der Sluis Catrinus , Van der Meer Jos M.
Published: May 2009

Most factories belonging to the Dutch company Avebe are working on products based on potato starch. More recently, there has been a strong development in the extraction and use of other potato constituents (i.e. protein, fibres). At present, farmers are paid on the outcome of the “under water weight” measurements, a procedure prescribed by the EC to predict the starch content. However, since there is an outlet in the market, the company is also willing to pay out according to the protein content. The introduction of near infrared (NIR) spectroscopy as a fast quality control technology may be of great help in reaching this objective. NIR, placed either at-the-gate or at-line or in-line at plant level, will contribute to the setting up of a more objective payment method which will, in turn, contribute to an improvement in the financial situation of the farmers and also to better control of the complete manufacturing process. A total of 275 mashed potatoes were analysed by using a FT-NIR (ABB Bomem MB160D) spectrometer and calibration equations were developed to predict dry matter (DM), starch (ST), crude protein (CP) and recoverable protein (RP) content. The equations developed for the prediction of DM and ST presented an accuracy and precision acceptable for routine analysis according to their RPD values (4.2 and 3.1, respectively). However, the equations obtained for CP and RP presented a low predictive ability ( RPD ≈ 1.5). A discriminant analysis performed by using PLS2 regression correctly classified 87.5% of mashed potato samples in groups of low (< 14 mg g−1) and high (≥ 14 mg g−1) protein content. A feasibility study with entire potatoes and a diode array spectrometer (Corona 45 VIS+NIR) was carried out and the preliminary results show great expectations concerning further implementation of NIR technology at the factory gate. However, further research and demonstration activities are needed before application will become possible.
Total Sugar and Maturity Evaluation of Intact Watermelon Using near Infrared Spectroscopy
Authors: Abebe Ashenafi Tessema
Published: May 2009

In this study, a near infrared spectroscopy (700–1100 nm) measurement technique was used to evaluate the internal quality of watermelons non-destructively. A spectrometer and near infrared ray emitting diode were designed and developed to evaluate the internal quality parameters such as total sugar content and maturity of intact watermelons. A relationship was found between the maturity of intact watermelon and the diffuse transmittance spectra. The total sugar content was calculated from the second derivative spectral values at four selected wavelengths. The verification correlation coefficient and standard error of prediction values were 0.81 and 0.42 Brix% respectively.
Suppressing the Temperature Effect in near Infrared Spectroscopy by Using Orthogonal Signal Correction
Authors: Blanco Marcelo , Valdés Dámarih
Published: May 2009

Temperature changes alter the near infrared spectra for liquid samples and substantially diminish the predictive ability of calibration models constructed from spectra that are not recorded under strictly controlled temperature conditions. The effect is especially significant in compounds forming hydrogen bonds, which exhibit shifts and intensity variations in their spectral absorption maxima and provide non-linear relationships between variables that require more complex models. In this work, we used the variable filtering method known as orthogonal signal correction (OSC) with a view to eliminate the spectral variability introduced by temperature change that is unrelated to the concentrations of the ingredients of an esterification reaction. Once the spurious spectral information was removed by the OSC algorithm, calibration models were constructed from spectra recorded over a broad temperature range in order to determine each individual component (PLS1) and the four reaction ingredients simultaneously (PLS2) in liquid samples. The OSC spectral treatment was found to provide more simple and accurate ( RSEP < 5%) predictive models that those obtained in its absence.
Near Infrared Spectra of Cows' Milk for Milk Quality Evaluation: Disease Diagnosis and Pathogen Identification
Authors: Tsenkova Roumiana , Atanassova Stefka , Morita Hiroyuki , Ikuta Kentaro , Toyoda Kiyohiko , Iordanova Illina K. , Hakogi Etsuji
Published: May 2009

Food quality and safety, as well as bacteria identification, have become very important issues. Establishing fast and non-destructive methods for control is of a great importance. The performance and safety of processed milk and milk products are influenced by the quality of the raw milk used and animal health. Cell count in udder quarter milk has been established as the main criteria by which milk abnormality is evaluated and, in addition to electrical conductivity and pathogen identification, it is also a principle means for the diagnosis of the inflammatory udder disease known as mastitis. Near infrared (NIR) spectroscopy has proved to be a fast non-destructive method for the analysis of food and agricultural products, including non-homogenised milk. In this study, we have analysed NIR spectra of udder quarter milk samples collected continuously from individual cows, at various farms, at different times of the year. We report that NIR spectra of cows' udder quarter milk, when subjected to multivariate data analysis, provides information about milk abnormality and health disorders in cows. We have developed spectroscopic models for the simultaneous measurement of somatic cell count and electrical conductivity, as well as for identification of the main mastitis-causing bacterial pathogens in cow's udder quarter milk. These findings present NIR spectroscopy as a powerful technology for in vivo health monitoring, disease diagnosis at molecular level and bacteria identification.
A Comparison of Reflectance Pulse Oximetry and near Infrared Spectroscopy for the Determination of the Fraction of Oxygenated Haemoglobin at Low Oxygen Saturations in an Animal Study
Authors: Kisch-Wedel Hille , Kemming Gregor , Bernreuter Peter , Albert Maik , Zwissler Bernhard
Published: May 2009

Near infrared spectroscopy scans of cerebral tissue in vivo were compared to reflectance pulse oximetry of local tissue by comparing each method to in vitro femoral arterial blood measurements in an experimental study on 16 newborn piglets. To test the accuracy, the 16 piglets were desaturated stepwise during general anaesthesia, leading to the following results of linear regression analysis of complete data, linear regression analysis for individual piglets and bias ± precision (1SD). Local oxygen saturation (reflectance pulse oximetry) versus arterial (haemoximeter): linear regression analysis R2 = 0.92, n = 207, linear regression analysis for individual piglets: R2 = 0.95 ± 0.05*, p < 0.05 versus near infrared spectroscopy, bias ± precision (1SD): 0.15 ± 9.65%; cerebral tissue oxygenation index (near infrared spectroscopy) versus arterial (haemoximeter): linear regression analysis R2 = 0.26, n = 161, linear regression analysis for individuals R2 = 0.83 ± 0.15, bias ± precision (1SD) −3.33 ± 29%; cerebral concentration of delta oxygenated haemoglobin (near infrared spectroscopy, NIRO 300) versus the corresponding arterial parameter (haemoximeter): linear regression analysis R2 = 0.76, n = 189, linear regression analysis for individuals R2 = 0.90 ± 0.06, bias ± precision (1SD) −2.54 ± 3 μM cm−3. The results of reflectance pulse oximetry in local tissue correlated more closely to in vitro femoral arterial blood measurements (haemoximeter) than results of near infrared spectroscopy, in vivo.
Quantitative Analysis via near Infrared Databases: Comparison Analysis Using Restructured near Infrared and Constituent Data-Deux (CARNAC-D)
Authors: Davies Anthony M.C. , Fearn Tom
Published: May 2009

The method originally proposed in 1988 as “CARNAC” has been re-developed to incorporate the use of wavelet compression, modern programming techniques that make it potentially more transportable and some refinements of the technique. The idea is demonstrated on the small database that was used for program testing as it gives surprisingly acceptable results.
Cardiovascular disease risk management in HIV patients, experiences from Greater Manchester
Authors: Mallewa J E , Higgins S P , Garbett S , Saxena N , Vilar F J
Published: May 2009

Antiretroviral (ARV) therapy in HIV patients can cause hyperlipidaemia, glucose intolerance and insulin resistance, which increase the risk of cardiovascular disease (CVD). An audit carried out in Manchester found that CVD risk factors were common among HIV patients receiving ARVs; however, the management of risk factors was not satisfactory. Adopting a formal system to identify and manage CVD risk factors as well as appropriate referral for specialist management of complications of ARV therapy would improve patient care.
Systematic review of HIV and HCV infection among drug users in China
Authors: Bao Y-P , Liu Z-M
Published: May 2009

To determine the HIV and hepatitis C virus (HCV) geographical distribution among drug users in China, a systematic literature review of 40 peer-reviewed publications (comprising 15,565 drug users) was conducted. Of the total drug users, 10,724 were found to be injection drug users (IDUs) and 4841 were non-injection drug users (non-IDUs). Various studies identified that among IDUs and non-IDUs, the overall HIV prevalence rates were 12.55% and 1.05%, and the HCV prevalence rates were 66.97% and 18.30%, respectively. The HIV prevalence rate ranged from 0% (Anhui and Inner Mongolia) to 52.51% (Yunnan) among IDUs, and from 0% to 19.80% among non-IDUs correspondingly. The HCV prevalence rate ranged from 11.43% (Shannxi) to 90.77% (Hubei) among IDUs, and from 0% (Anhui) to 40.00% (Fujian) among non-IDUs. Based on the high prevalence of HIV and HCV among drug users, scaling-up harm reduction was required from ‘heroin trafficking areas’ to other areas in China.
Do users of the intrauterine system (Mirena) have different genital symptoms and vaginal flora than users of the intrauterine contraceptive device?
Authors: Neale R , Knight I , Keane F
Published: May 2009

The copper intrauterine contraceptive device (IUCD) is strongly associated with bacterial vaginosis (BV). Hormonal influences may play a role in the control of vaginal flora. It is unclear whether use of the progesterone-incorporated intrauterine system (IUS; Mirena) is associated with abnormal vaginal flora or genital symptoms. One hundred and seventy-two women were assessed for symptoms and abnormal vaginal flora prior to and at intervals after insertion of either a copper IUCD or an IUS. Women were significantly more likely to have developed an abnormal vaginal discharge 4–6 weeks after insertion of an IUCD compared with an IUS (27% cf. 14%, P = 0.04), although this trend was not significant six months postinsertion. More women with an IUCD developed BV compared with an IUS at 4–6 weeks and six months. However, there were insufficient numbers of women with BV to demonstrate any significant difference between the vaginal flora of the two groups.
Recurrent histoplasmosis in AIDS mimicking a colonic carcinoma
Authors: Aisenberg G , Marcos L A , Ogbaa I
Published: May 2009

The prevalence rate of lower gastrointestinal bleeding in patients with AIDS is around 2.6%. A 42-year-old woman with AIDS (CD4 count 9/μL) and recently treated for disseminated histoplasmosis presented to the emergency room with melena, severe anaemia and fever. A colonoscopy showed an umbilicated colonic nodule mimicking a carcinoma of the colon. The biopsy showed intracytoplasmic microorganisms compatible with Histoplasma capsulatum. She had poor compliance to the itraconazole when discharge on previous admission. Despite the fact that colonic histoplasmosis is uncommon, the mortality rate is around 8% and clinicians should be aware of the clinical presentation of histoplasmosis when recur, especially in patients not taking the itraconazole for long-term treatment.
Suppurative iliac lymphadenitis masquerading as appendicitis in an HIV-infected patient
Authors: Peppa D , Stephens N J , Miller R F
Published: May 2009

An HIV-infected man presented with acute onset of right iliac fossa pain. Initial assessment of clinical and computed tomography findings suggested a diagnosis of appendicitis. A macroscopically normal appendix was removed. Further imaging performed postoperatively because of persistent symptoms showed a right iliac fossa mass; culture of pus aspirated from the mass grew group A beta-haemolytic Streptococcus confirming a diagnosis of suppurative iliac lymphadenitis.
Disorder, structured diffuse scattering and the transmissionelectron microscope
Authors: Withers Ray L.
Published: May 2009

A review of the application of electron microscopy to disordered materials exhibiting sharp, highly structured diffuse intensity distributions is given from a modulation wave approach perspective. Structurally useful diffraction phenomena such as polarization, overall diffuse distribution shape and pseudo-extinction conditions are highlighted. The dangers of multiple scattering are emphasized before two particular such systems, substitutionally disordered solid solutions and inherently flexible framework structures are considered in more detail.
Diffuse X-ray scattering from tiny sample volumes
Authors: Ice Gene E. , Barabash Rozaliya I. , Liu Wenjun
Published: May 2009

The emergence of intense synchrotron X-ray sources, efficient focusing optics and high-performance X-ray sensitive area detectors allows for measurements of diffuse scattering from cubic micron-scale sample vol umes. Here we present an experiment that illustrates methods for studying the local structure and defect content of tiny sample volumes. In the experiment, an X-ray microbeam illuminating about ∼5 μm3 of a Ni-based superalloy single crystal, is used to collect Laue patterns and reciprocal space volume maps around fundamental and a superstructure reflections. This measurement illustrates how diffuse reciprocal-space distributions can be collected with good spatial and momentum-transfer resolution from a tiny real-space sample volume. This example demonstrates that emerging diffuse scattering techniques can provide fundamentally new information about crystallographic organization and defect content over many length scales.
Magnetic short-range order in disordered and ordered binary alloys
Authors: Ohshima Ken-ichi
Published: May 2009

A review is given on the recent developments in the study of magnetic short-range order in disordered and ordered binary alloys. We describe the study of the correlation between atomic and magnetic short-range order, in which full use was made of the technique of simultaneous measurement of X-ray and neutron diffuse scattering from single crystals. The study of the effect of atomic order on magnetic fluctuation using the same technique is also described. These two studies cast new light in the understanding of the magnetic properties of the disordered and ordered alloys containing 3d-metals.
Cooperative Evolution — a new algorithm for the investigation of disordered structures via Monte Carlo modelling
Authors: Weber Thomas
Published: May 2009

A new evolutionary algorithm for Monte Carlo modelling of disordered structures, called Cooperative Evolution (CE), is proposed. The functionality of this method is demonstrated by means of two series of refinements of different complexity. In both cases the CE method was capable of reproducing the known disordered structure to a reasonable degree. In order to test the perform ance of the CE method in comparison with other techniques, the refinements were repeated using Reverse Monte Carlo (RMC) modelling and the Monte Carlo/Differential Evolution (MC/DE) method. The tests have shown that the CE method leads to more reliable results than RMC modelling and that it is faster than the MC/DE technique in particular in case of complex problems.
Grazing incidence diffraction of cadmium arachidate multilayers at the solid-liquid interface
Authors: Miller Chad E. , Majewski Jaroslaw , Gog Thomas , Kuhl Tonya L.
Published: May 2009

Using complementary X-ray reflectivity (XR) and grazing incidence X-ray diffraction (GIXD), we report structural studies of supported thin-organic layers in contact with water and air. Using a monochromatic synchrotron beam to penetrate 10 mm of liquid, we have characterized buried films composed of 12.5 repeating bilayers of arachidic acid (C20H40O2) complexed with cadmium ions (cadmium arachidate, CdAr2). We found that the layered structure of the CdAr2 multilayers do not exhibit rearrangement after exposure to water with negligible water penetration into the inner layers when compared to their dry state. These findings are consistent with the formation of extremely robust CdAr2 multilayers that can withstand multiple rinses in strong organic solvents, acid, and mechanical wear. The second goal was to demonstrate the feasibility of similar experiments to study much thinner single bilayer bio-membranes. These studies are the first successful GIXD experiments of ultra thin-organic film composed of a few layers at the solid-liquid interface.