bluuebunny/crossref_metadata_2025 huggingface dataset:
Short-Term Low Calorie Diet Intervention Reduces Serum Advanced Glycation End Products in Healthy Overweight or Obese Adults
Authors: Gugliucci Alejandro , Kotani Kazuhiko , Taing Jennifer , Matsuoka Yukiyo , Sano Yoshiko , Yoshimura Makiko , Egawa Kahori , Horikawa Chika , Kitagawa Yoshinori , Kiso Yoshinobu , Kimura Satoshi , Sakane Naoki
Published: May 2009

Background: Obesity is a metabolic and cardiovascular risk factor. A low calorie diet (LCD) is one of the treatment modalities for weight loss. Serum advanced glycation end products (AGEs) are linked to increased atherogenicity and inflammation in diseases such as diabetes and renal failure. Obesity has an inflammatory component, but interestingly there are no studies on serum AGE levels in obesity or on the effects of LCD as a therapeutic measure on these markers of glycation. Aim: We hypothesized that weight loss by caloric restriction has a beneficial effect on serum AGE levels. We investigated the prospective effects of a sole LCD intervention for weight loss on serum AGEs in a cohort of overweight and non-morbidly obese but otherwise healthy subjects. Methods: A total of 37 Japanese subjects (30 females, 7 males, mean age 48.2 ± 9.3 years) with a mean BMI of 28.3 ± 3.2 participated in this study. During the intervention period of 2 months, they were placed on an LCD (Diet’s™; 5,023 kJ/day) with meal replacement every dinner. The following data were evaluated pre- and post-intervention: AGEs, BMI, waist circumference, blood pressure, serum glucose, cholesterol, triglycerides, HDL- and LDL- cholesterol. Results and Discussion: After the intervention, BMI levels were clearly reduced by 6.3% (p < 0.001), waist circumference by 5.7% (p < 0.002) and triglycerides by 11.9 % (p < 0.002). At baseline, AGEs levels were 63 ± 11 AU for obese subjects and 63 ± 14 for control subjects (not significant). After intervention, AGEs were reduced by 7.21% (range 0–35%, p < 0.001). The percent change in AGEs was significantly and positively correlated with that of triglycerides (r = 0.42, p < 0.009), waist circumference (r = 0.40, p < 0.011), and BMI (r = 0.42, p < 0.007). We show for the first time that serum AGEs can be reduced by an LCD intervention on weight loss, a change that correlates with the reduction in triglycerides. This may plausibly be a reflection of a reduction in glycation/lipoxidation due to the caloric restriction and its metabolic consequences, or it may be due to the decreased intake of food containing glycotoxins, or a combination of both.
CO2 Laser (10.6 μm) Parameters for Caries Prevention in Dental Enamel
Authors: Esteves-Oliveira M. , Zezell D.M. , Meister J. , Franzen R. , Stanzel S. , Lampert F. , Eduardo C.P. , Apel C.
Published: May 2009

Although CO2 laser irradiation can decrease enamel demineralisation, it has still not been clarified which laser wavelength and which irradiation conditions represent the optimum parameters for application as preventive treatment. The aim of the present explorative study was to find low-fluence CO2 laser (λ = 10.6 μm) parameters resulting in a maximum caries-preventive effect with the least thermal damage. Different laser parameters were systematically evaluated in 3 steps. In the first experiment, 5 fluences of 0.1, 0.3, 0.4, 0.5 and 0.6 J/cm2, combined with high repetition rates and 10 μs pulse duration, were chosen for the experiments. In a second experiment, the influence of different pulse durations (5, 10, 20, 30 and 50 μs) on the demineralisation of dental enamel was assessed. Finally, 3 different irradiation times (2, 5 and 9 s) were tested in a third experiment. In total, 276 bovine enamel blocks were used for the experiments. An 8-day pH-cycling regime was performed after the laser treatment. Demineralisation was assessed by lesion depth measurements with a polarised light microscope, and morphological changes were assessed with a scanning electron microscope. Irradiation with 0.3 J/cm2, 5 μs, 226 Hz for 9 s (2,036 overlapping pulses) increased caries resistance by up to 81% compared to the control and was even significantly better than fluoride application (25%, p < 0.0001). Scanning electron microscopy examination did not reveal any obvious damage caused by the laser irradiation.
Technology-Mediated Instruction in Distance Education and Teacher Preparation in Special Education
Authors: Bullock Lyndal M. , Gable Robert A. , Mohr J. Darrell
Published: May 2009

In this article, the authors examine the literature on distance education and offer a brief chronology of its past-to-present development, with special attention to the evolution of technology-mediated instruction. They document some of the major trends related to both theoretical and practical aspects of distance education. In particular, they look at the significance of the design of instruction and the importance of preserving faculty—student communication. Next, they look at the challenges as well as opportunities that distance education affords students, faculty, and institutions of higher education. Finally, the authors summarize what they believe to be major issues to be resolved if educators are to improve the quality of distance education and speculate about what the future might hold with regard to distance education and special education.
Alternative Route Special Education Teacher Preparation Programs Guidelines
Authors: Wasburn-Moses Leah , Rosenberg Michael S.
Published: May 2009

With the proliferation of alternative route (AR) special education teacher preparation programs, many teacher educators are likely to be involved in AR program design and implementation. Unfortunately, few resources have focused on best practices for program developers to prepare the nontraditional participants who typically populate their programs. In this article, the authors present a series of guidelines intended to assist teacher educators in the development of AR programs. These guidelines, presented within the context of best practices in teacher education, relate directly to what we know about the characteristics of successful AR programs as well as the participants who access these programs.
Between Intimacy and Intolerance
Authors: Spyrou Spyros
Published: May 2009

This article explores how Greek Cypriot elementary school children construct their identities in relation to Sri Lankan and Filipino women who come to Cyprus as domestic workers. The article focuses primarily on the views of children whose families employ these women; however, the views of children whose families do not employ domestic workers are also explored to illustrate how these women are popularly constructed in children's imaginations and in the absence of direct daily interaction with them. The study reveals that children access different cultural discourses and construct identities that are often ambivalent and contradictory and are revealing of new forms of nationalism and racism. For the children whose families employ domestic workers, the home becomes an arena for renegotiating their status as children in their interactions with these women. Thus, the encounter between Self and Other becomes critical to understanding reconstituted definitions of childhood and adulthood.
Fritsch–Buttenberg–Wiechell (FBW) Reaction of 1-Halovinyllithium Carbenoids: A Computational Study
Authors: Pratt Lawrence M , Nguyen Ngan Van , Kwon Ohyun
Published: May 2009

1-Halovinyllithium carbenoids can undergo the Fritsch–Buttenberg–Wiechell (FBW) rearrangement to form alkynes. This reaction is quite facile when a hydrogen atom is present on carbon 2. The gas-phase reaction mechanism may consist of a single-step or several steps, depending on the aggregation state of the carbenoid. We examined the FBW reaction of 1-fluoro, chloro-, and bromovinyllithium in the monomer and two isomeric dimers. The migratory aptitude of the hydrogen atoms is dependent on the halogen and the aggregation state.
An Efficient Ionic Liquid Additive for Proline-catalyzed Direct Asymmetric Aldol Reactions between Cyclic Ketones and Aromatic Aldehydes
Authors: Qian Yunbo , Zheng Xin , Wang Xu , Xiao Shiyong , Wang Yongmei
Published: May 2009

An ionic liquid [EMIm][CF3COO] proved to be an efficient additive for proline-catalyzed direct asymmetric aldol reactions between cyclic ketones and aromatic aldehydes in [BMIm]BF4 at room temperature. Corresponding aldol products in low to good yields (trace–93%) and excellent enantiomeric excesses (up to 98%) were afforded. Recycling of the catalyst and additive together with the solvent ([BMIm]BF4) was possible up to 5 runs with only slight reduction in activity.
Efficient and Rapid Stereoselective Synthesis of trans-4,5-Diaminocyclopent-2-enones by Acidic Ionic Liquid under Solvent-free Conditions
Authors: Ramesh D , Reddy T Srikanth , Narasimhulu M , Rajaram S , Suryakiran N , Mahesh K Chinni , Venkateswarlu Y
Published: May 2009

Acidic ionic liquid 1-methylimidazolium tetrafluoroborate [HMim]+[BF4]−, was successfully employed as a reusable catalyst for the reaction of furfural and secondary amines to yield 4,5-diaminocyclopent-2-enones exclusively as trans diastereomer in the absence of solvent. The inherent Brønsted acidity and high polarity of ionic liquid resulted in the significant enhancement in the reaction rate.
A Versatile near Infrared Imaging Spectrometer
Authors: Martinsen Paul , Schaare Peter , Andrews Mark
Published: May 2009

This paper presents a method for measuring spectral volumes ( x, y, λ) using a scanning approach utilising inexpensive components and assesses the performance of an instrument based on the technique described. The system uses a diffraction grating for spectral dispersion, a slit scanning system for spatial resolution and a CCD detector to allow images of samples to be examined in different wavebands. The system described has a spectral range of 650 nm to 1100 nm at a resolution of better than 5 nm. The image size is 150 × 242 pixels and an interchangeable imaging lens enables investigation of samples at different scales. With a 58 mm camera lens objects up to 50 mm × 50 mm may be imaged at a spatial resolution of up to 2 line-pairs per millimetre (0.5 millimetre). Spectral reflection images of kiwifruit are shown as an example application of the instrument.
The Assignment of Overtone and Combination Bands in the near Infrared Spectrum of Polyamide 11
Authors: Wu P. , Siesler H. W.
Published: May 2009

Based on a detailed study of the fundamental vibrations in the mid-infrared (MIR) region and supported by NH/ND-deuteration experiments, variable-temperature and polarisation measurements, the assignment of overtone and combination bands in the near infrared (NIR) spectrum of polyamide 11 (PA11), [–(CH2)10–CO–NH–] n, is presented. The results can be readily transferred to the spectral interpretation of homologous aliphatic polyamides thereby providing an improved understanding of the NIR spectra of this class of technically important polymers.
A Curve-Fitting Approach to the near Infrared Reflectance Measurement of Wheat Flour Proteins Which Influence Dough Quality
Authors: Wesley I.J. , Uthayakumaran S. , Anderssen R.S. , Cornish G.B. , Bekes F. , Osborne B.G. , Skerritt J.H.
Published: May 2009

A curve-fitting approach to the problem of measuring the gliadin and glutenin content of flour is presented. Theoretical spectra for 100% pure gliadin, glutenin and starch are derived based on the analysis of partially purified materials and are shown to have unique characteristics. Spectral differences at 2306 nm and 2350 nm were attributed to the presence of lipid in the glutenin component and a least squares curve-fitting procedure over the range 2050–2220 nm has been used to calculate the proportion of each component present in the spectrum of a flour. High r2 values were achieved when the results were compared with the actual values as measured by size exclusion high pressure liquid chromatography. The results for gliadin ( r2 = 0.73) and glutenin ( r2 = 0.76) suggest that the curve-fitting methodology offers a simple alternative to partial least squares (PLS) and multiple linear regression (MLR) techniques for ranking samples by gliadin and glutenin content. Although there was a large bias between the actual and uncorrected predicted values for gliadin and glutenin content, the results provided a clear justification for assuming that robust calibrations for gliadin and glutenin content can be developed using both curve-fitting and PLS calibration techniques. The least squares methodology can be used as a simple technique for estimating the gliadin and glutenin content of flours where the development and maintenance of a full calibration is either impractical or not desirable.
Calibration Transfer for Predicting Lake-Water pH from near Infrared Spectra of Lake Sediments
Authors: Geladi Paul , Bärring Hans , Dåbakk Eigil , Trygg Johan , Antti Henrik , Wold Svante , Karlberg Bo
Published: May 2009

With near infrared spectra of lake sediment samples, it is possible to predict lake-water pH using a partial least squares (PLS) calibration model. The calibration models have large model and prediction residuals and it is important to understand the residuals. All the sediment samples were measured on five different instruments. This allows the use of each of the five instruments as master with the other four as field instruments. When using more than one near infrared instrument, prediction becomes unreliable unless calibration transfer is used. A number of techniques including Savitzky–Golay Transform (SGT), finite impulse response (FIR), piecewise direct standardisation (PDS), orthogonal scatter correction (OSC) and wavelet transform (WT) were compared. The quality of the predictions was expressed as root mean square error of prediction ( RMSEP), but the calibration transfer methods were also compared on practical usefulness. In these data, the OSC filtering worked best and gave adequate calibration transfer results.
Determination of Carbohydrate Content in Bananas during Ripening and Storage by near Infrared Spectroscopy
Authors: Tarkosova Jolana , Copikova Jana
Published: May 2009

Near infrared (NIR) spectroscopy was used to establish calibration equations to determine individual sugar content in Cavendish bananas that corresponds to the stage of ripeness. Using high performance liquid chromatography as the reference method, a NIRSystems monochromator and ISI software for scanning and data analysis, calibration models for prediction of individual sugar content were developed. A modified partial least squares (MPLS) algorithm was used to perform the calibration. A wavelength range of 1100–2500nm was selected for evaluation. The standard error of performance ( SEP) and coefficient of determination ( R2) for individual sugars were as follows: sucrose 0.78% and 0.97, respectively; glucose 0.21% and 0.96, respectively; fructose 0.16% and 0.95, respectively. SEP and R2 for total sugar content were 0.80% and 0.98, respectively.
Attempted Authentication of Cut Pieces of Chicken Meat from Certified Production Using near Infrared Spectroscopy
Authors: Fumière Olivier , Sinnaeve Georges , Dardenne Pierre
Published: May 2009

The control of the origin of meat is of major interest not only to consumers but also to producers and retailers. The number of poultry meat products with quality marks continues to increase. Near infrared (NIR) reflectance spectroscopy was investigated as a mean of discriminating between “slow-growing” and “industrial” chicken strains. Seventy-two chickens (39 “slow-growing” chickens and 33 “industrial” ones) were analysed using two instruments (NIRSystems 6500 and Perten DA 7000). The NIRSystems 6500 is characterised by a wide wavelength range and a fine resolution of the spectra; the Perten DA 7000 is able to acquire the spectra of whole chicken carcasses within a second. Various cut pieces (leg with skin, breast without skin, carcass with skin and skin) corresponding to commercial products were considered. The performance of the discriminant models developed range between 80% and 100% of correct classification in either the calibration or the validation step. These positive results show that the technique could be integrated in an analytical system of surveillance of certified meat products.
Visualising Chemical Composition and Reaction Kinetics by the near Infrared Multispectral Imaging Technique
Authors: Tran Chieu D.
Published: May 2009

A new multispectral imaging spectrometer which is capable of simultaneously recording spectral images in the visible and near infrared has been developed. In this instrument, an acousto-optic tunable filter (AOTF) is used to diffract an unpolarised incident light into two diffracted beams with orthogonal polarisation. One of the beams is detected by a silicon camera for the visible region while the other is detected in the near infrared (NIR) region (from 1000 to 1700nm) with an NIR camera. The imaging spectrometer is sensitive, inexpensive and field deployable because it is based on a camera using the recently available InGaAs focal plane arrays which are low-cost and can be sensitively operated at room temperature. The imaging spectrometer was used for measurements which previously were not possible. These include the kinetic determination of curing of an epoxy resin by amine, and the detection of reaction products from solid-phase peptide synthesis. Rates of reactions between epoxy and amine were found to be very inhomogeneous. Because of this kinetic inhomogeneity, differences in the degrees of cure at different positions within the sample can be as high as 37% when data from only a single pixel were used for calculation. The inhomogeneity was not observed if the average of a large number of pixels was used. The NIR imaging spectrometer was also used for the kinetic determination and identification of products formed during the solid phase peptide synthesis of glycine, alanine and valine mediated by aminomethylstyrene resin beads. Because this NIR imaging spectrometer can measure spectra at different positions within a sample, it was used for the first demonstration in which reactions of three different solid-phase peptide syntheses (in a three-compartment cell) were simultaneously monitored. Since relatively good spectra can be obtained by using data recorded by a single pixel and because the NIR camera has 240×320 pixels, this NIR multispectral imaging technique is not limited to three-compartment cell used in this study but rather can be used as the detection method for solid-phase peptide synthesis in combinatorial chemistry.
NIR Measurement of Moisture Content in Wood under Unstable Temperature Conditions. Part 1. Thermal Effects in near Infrared Spectra of Wood
Authors: Thygesen Lisbeth G. , Lundqvist Sven-Olof
Published: May 2009

Thermal effects in near infrared (NIR) spectra of solid wood samples of Norway spruce ( Picea abies Karst.) were studied between −20 and +25°C. When the temperature increases, the two main hydroxyl absorbance bands at approximately 1450 and 1930nm (here denoted bands A and B) shift by about 0.4nm°C−1 towards shorter wavelengths. For sapwood, there is a marked peak shift of both peaks of about 25nm (band A) and 20nm (band B) when part of the moisture in the wood freezes/thaws at 0°C. For heartwood, which has a much lower moisture content, the shifts are only about 5 and 3nm, respectively. If ice crystals form on the sample surface, a light scattering effect is also seen in the spectra, causing a multiplicative difference between spectra of samples with and without surface ice. It was demonstrated that it is possible to predict the moisture content even of frozen wood using partial least squares (PLS) regression models. It is, however, necessary to take the temperature into account, especially if the temperature fluctuates around 0°C.
The Development of near Infrared Wheat Quality Models by Locally Weighted Regressions
Authors: Barton F.E. , Shenk J.S. , Westerhaus M.O. , Funk D.B.
Published: May 2009

A large data base of near infrared and protein data was used to examine the utility of a data base regression technique know as LOCAL in the ISI International software package. A total of 2203 samples of wheat from five classes with protein values by combustion analysis comprised the data base. One half of the samples came from hard red spring and hard red winter wheats. The number of samples in the individual classes ranged from 235 for Durum to 694 for hard red spring. These samples were collected over a five year period and represented wheat in commercial trade. Calibrations were determined for each class, the entire data base as a “global” calibration, a data base regression which selected appropriate samples for a unique calibration for each sample and the standard equations of NIR spectroscopy regulatory analysis. Results will be reported which show data base regression technique to be as good as specific calibrations by partial least squares regression for sub-classes of products and precise enough for use for regulatory purposes. The use of this data base regression technique over normal learning sets has other advantages, such as easier calibration update, easier transferability and the possibility to include authentication and classification as part of the model.
Measurement of the Concentrations of Glucose and Citric Acid in the Aqueous Solution of a Blood Anticoagulant Using near Infrared Spectroscopy
Authors: Yano Takuo , Funatsu Takatoshi , Suehara Ken-Ichiro , Nakano Yasuhisa
Published: May 2009

Near infrared (NIR) spectroscopy was employed for the simultaneous prediction of the concentrations of glucose and citric acid in the aqueous solution of a blood anticoagulant solution. The solution was placed in an NIR spectrophotometer and the absorbance at wavelengths between 400 and 2500 nm was measured at 2 nm intervals. Multiple linear regression (MLR) was used to obtain calibration equations relating the NIR spectral data and the glucose and citric acid concentrations of a calibration sample set obtained by enzymatic methods. The value of the multiple correlation coefficient ( R) was 0.993 when using the wavelengths of 2274 and 1674 nm for glucose. The value of the simple correlation coefficient ( r) for citric acid was 0.993 when using the wavelength 1690 nm. To validate the calibration equations obtained, glucose and citric acid concentrations in a prediction sample set were compared with the concentrations measured by the enzymatic methods. Excellent agreement between the results of the enzymatic method and those of NIR spectroscopy was observed for both constituents. The procedure of NIR spectroscopy was simple and the operation time required to predict the concentrations was a few minutes. These results indicate that NIR spectroscopy may be a useful method for monitoring the production process of the blood anticoagulant.
How Can We Unravel Complicated near Infrared Spectra?—Recent Progress in Spectral Analysis Methods for Resolution Enhancement and Band Assignments in the near Infrared Region
Authors: Ozaki Yukihiro , Šašić Slobodan , Jiang Jian Hui
Published: May 2009

This review paper reports recent progress in spectral analysis methods for resolution enhancement and band assignments in the near infrared (NIR) region. Spectra in the NIR region are inherently rich with information on the physical and chemical properties of molecules. However, it is not always straightforward to analyse the spectra because an NIR spectrum consists of a number of overlapped bands due to overtones and combination modes. An NIR spectrum may be analysed by conventional spectral analysis methods, chemometrics or two-dimensional correlation spectroscopy. The following conventional methods are currently utilised to analyse NIR spectra: (a) derivatives, (b) difference spectroscopy, (c) Fourier self-deconvolution and (d) curve fitting. The derivative method is powerful in separating superimposed bands and correcting for a baseline slope. Conventional experimental methods for spectral analysis, such as isotope exchange and measurement of polarisation spectra, are also valid in the NIR region. Chemometrics is very useful for extracting information from NIR spectra. Among a variety of chemometrics methods, multiple linear regression, principal component analysis, principal component regression and partial least squares regression are most often used for qualitative and quantitative analysis. Recently, chemometrics has been used for resolution enhancement of NIR spectra. Particularly, loadings plots or regression coefficients are useful for separating overlapped bands and for making band assignments. Notable recent advances in the analysis of NIR spectroscopy are the development or introduction of new spectral analysis methods such as two-dimensional (2D) correlation spectroscopy and self-modelling curve resolution methods (SMCR). 2D correlation analysis enables enhancement of apparent spectral resolution by spreading spectral peaks over a second dimension. SMCR allows one to resolve the experimental matrix into concentration profiles and pure spectra of the involved species without prior knowledge of any of these features.
The Standardisation of near Infrared Instruments Using Master Selection and Wiener Filter Methods
Authors: Siska Juraj J. , Hurburgh Charles R.
Published: May 2009

In this report, two aspects of near infrared standardisation (calibration transfer) were studied: the selection of the master instrument and the standardisation algorithm. Their impact on the accuracy of barley protein measurements was evaluated using 285 fixed-filter Foss Grainspec instruments. Optical linear regression, Wiener filter and no standardisation were compared. The statistically-based master selection procedure had a significant impact on the spectral and calibration transfer when all standardisation techniques were applied. Spectral centralisation improved the accuracy of prediction, particularly when a poorer master was used.
The Potential of near Infrared Reflectance Spectroscopy as a Tool for the Chemical Characterisation of Agricultural Soils
Authors: Confalonieri M. , Fornasier F. , Ursino A. , Boccardi F. , Pintus B. , Odoardi M.
Published: May 2009

The feasibility of near infrared (NIR) reflectance spectroscopy in determining various soil constituents such as total organic carbon, total nitrogen, exchangeable potassium and available phosphorus has been investigated, to monitor their concentration during a long-term agronomic trial. Soil samples previously analysed by conventional chemical methods were scanned using a NIRSystems 5000 monochromator and spectra were treated using several algorithms. The first derivative of each NIR spectrum was used for all statistical analyses. Step-up, stepwise and modified partial least squares (MPLS) regression methods were applied to develop reliable calibration models between the NIR spectral data and the results of wet analyses. MPLS almost always gave the most successful calibrations. The results demonstrated that NIR reflectance spectroscopy can be used to determine accurately two important soil constituents, namely total nitrogen and carbon content. This technique could be employed as a routine testing method in estimating, rapidly and non-destructively, these constituents in soil samples, demonstrating soil variations within a long-term field experiment. For other determinations, such as exchangeable potassium and available phosphorus content, our results were less successful but may be useful for separation of samples into groups.
Use of Discriminant Analysis on Visible and near Infrared Reflectance Spectra to Detect Adulteration of Fishmeal with Meat and Bone Meal
Authors: Murray Ian , Aucott Lorna S. , Pike Ian H.
Published: May 2009

Since the link between feeding ruminant-derived meat and bone meal (MBM) and the occurrence of bovine spongiform encephalopathy (BSE) and its human equivalent variant Creutzfeldt–Jakob disease (vCJD) has been established, it is imperative that potentially infective material is excluded from the food chain. To this end, a Partial Least Squares (PLS) discriminant analysis, using visible and NIR reflectance spectra, was developed on a calibration set of 67 samples consisting of 22 authentic fishmeal (FM) specimens and 45 fishmeals deliberately adulterated with meat and bone meal (MBM) at 3%, 6% and 9% by weight, respectively; 15 samples were prepared at each concentration. Each material was unique in that any one fishmeal or meat and bone meal was used once only. In an independent validation set of 69 specimens prepared in exactly the same way, the discriminant successfully detected 44 out of 45 adulterated specimens with an error of one false positive among the remaining 24 pure fishmeals. Performance was tested on two independent monochromators and a canonical discriminant algorithm gave similar results. The NIR region (1100–2500 nm) or the visible and Herschel IR (400–1100 nm) alone did not perform as well as the combined visible and NIR regions. Modified PLS calibration for MBM % on the complete set of 136 specimens gave a standard error of calibration ( SEC) of 0.85% and coefficient of determination ( R2) of 0.94 based on the use of nine factors. Selection of appropriate and representative specimens for calibration and validation had a much greater effect on performance than any data treatment, scatter correction or the number of cross-validations or PLS factors used. Misclassification errors arose from specimens which were global H outliers having atypical spectra not represented in the calibration model. We believe that visible-NIR reflectance spectroscopy could routinely provide the first line of defence of the food chain against accidental contamination or fraudulent adulteration of fishmeal with meat and bone meal, which could present a health risk from transmissible spongiform encephalopathies (TSEs).
Evaluating Weavability in Flax Yarn Using near Infrared Spectroscopy
Authors: Faughey G.J. , Sharma H.S.S.
Published: May 2009

The manufacture of linen fabrics depends on maintaining quality whilst maximising weaving efficiency. Problems often arise due to loom stoppages which are brought about by breaks in the warp yarns. For years researchers have attempted to bring about a full understanding of the mechanisms responsible. It is clear that weavability in flax yarn is primarily affected by chemical composition and structure, this is turn is affected by various steps in the production chain. In the search for objective methods for assessing flax yarn properties, instrumental techniques such as derivative thermogravimetric analysis (DTG), tensile testing and regularity have been developed. This investigation describes an attempt to construct relationships between these instrumental parameters taken from a range of flax yarns and near infrared (NIR) spectroscopy using partial least squares (PLS) regression analyses. Calibrations with DTG peak 1 weight loss ( r2 0.83), regularity of thin and thick spots ( r2 0.82, 0.81), nep counts ( r2 0.82) and weaving breaks ( r2 0.79) have all been produced. Using these relationships prediction equations for evaluating DTG peak 1 and 2 weight loss, regularity of thin spots on yarn and weaving performance (breaks per 10,000 picks) have been developed. These equations were validated using a blind set of flax yarn.
Near Infrared Prediction of Oil Yield from Oil Shale
Authors: Romeo Melissa J. , Adams Michael J. , Hind Andrew R. , Bhargava Suresh. K. , Grocott Stephen. C.
Published: May 2009

Fifty-three oil shale samples from the Stuart Deposit in Central Queensland were analysed spectroscopically for hydrocarbon (kerogen) content. Near infrared (NIR) diffuse reflectance spectra of the shale samples exhibited sloping baselines due to particulate scattering and instrumental drift. Multiplicative scatter correction (MSC) and derivative spectroscopy were investigated as means of removing the effects of scattering and non-linear baselines. Partial least squares (PLS) calibration models have been developed, utilising both the entire spectral region as well as narrower chemometrically determined spectral bands. Compared with conventional chemical analysis techniques, NIR diffuse reflectance spectroscopy can provide an efficient, complementary method for the prediction of oil yield from oil shale.
Discrimination of Plastics Using a Portable near Infrared Spectrometer
Authors: Kumagai Masanori , Suyama Hideto , Sato Tomoaki , Amano Toshio , Ogawa Nobuaki
Published: May 2009

A portable near infrared (NIR) spectrometer was used to accomplish rapid identification of plastics. Thirteen kinds of plastics were collected and their NIR spectra were measured. Standardised normalisation treatment of the original spectra reveals the differences of the spectra more clearly. Absorbance spectra can be used to distinguish easily between polyethylene (PE) and polypropylene (PP) with the absorption band of the methylene group at 1410 nm. The result can be used to discriminate PE, PP and the copolymer. This suggestion is supported by a principal component analysis of the second-order derivatives spectrum.
Determination of Fatty Acids in the Subcutaneous Fat of Iberian Breed Swine by near Infrared Spectroscopy. A Comparative Study of the Methods for Obtaining Total Lipids: Solvents and Melting with Microwaves
Authors: González-Martín Inmaculada , González-Pérez Claudio , Hernández-Méndez Jesús , Álvarez-García Noelia , Lázaro Sofía Merino
Published: May 2009

Near infrared (NIR) spectroscopy has been used to predict the composition of the fatty acids of samples of subcutateous fat from Iberian breed swine, comparing the two methods employed for collecting total lipids—extraction with solvents and microwave melting—using gas chromatography as a reference method. The regression method used was modified partial least squares. The calibration results for 115 samples of subcutaneous fat extracted with solvents and the calibration measured with NIR permitted the determination of 12 fatty acids: C12:0, C14:0, C16:0, C16:1, C17:0, C17:1, C18:0, C18:1, C18:2, C18:3, C20;0 and C20:1, total polyunsaturated, total monosaturated and total saturated acid with squared multiple correlation coefficients of 0.84, 0.70, 0.89, 0.75, 0.62, 0.66, 0.85, 0.91, 0.88, 0.77, 0.85, 0.66, 0.90, 0.89 and 0.92, respectively, and a standard error of calibration ( SEC) for these acids (%) of 0.007, 0.091, 0.48, 0.14, 0.03, 0.03, 0.42, 0.72. 0.31, 0.09, 0.02, 0.15, 0.31, 0.70 and 0.68, respectively. Extraction of total lipids by microwave melting for the same samples and using NIR calibration allowed the determination of six fatty acids: C16:0, C16:1, C18:0, C18:1, C18:2, C18:3, total polyunsaturated, total monounsaturated and total saturated acid, with a squared multiple correlation coefficients ( RSQ) of 0.93, 0.70, 0.88, 0.90, 0.83, 0.63, 0.82, 0.92 and 0.95, respectively, and an SEC for these acids (%) of 0.36, 0.14, 0.44, 0.77, 0.33, 0.08, 0.39, 0.69 and 0.56, respectively. The robustness of the two extraction methods and of the determination was checked by applying them to 20 samples for external validation.
Applicability of Fourier Transform near Infrared Spectroscopy and Principal Components Analysis for Studying Elastomers after Radiochemical Ageing
Authors: Lachenal G. , Stevenson I.
Published: May 2009

The feasibility of using near infrared spectroscopy as a sensitive technique to follow the influence of γ-irradiation upon ageing of different EPDM (Ethylene Propylene Diene Monomer) elastomers has been evaluated. Minor differences can be observed between the spectra of non-irradiated and irradiated materials (for total integrated doses from 50 to 450 kGy using a dose rate of 1 kGy h−1 under oxygen flow). Applying a principal component analysis (PCA) in the spectral range 5500–4500 cm−1, the discrimination of polymers irradiated at different dose levels can be quickly performed and a spatial “random” separation by irradiation doses can be obtained up to 400 kGy using score plots PC1/PC2. Moreover, when spectral ranges such as 5000–4500 cm−1 or 7090–6980 cm−1 are used, scores of PC1 contain enough information for discrimination and classification by increasing irradiation doses. According to PCA analysis, the improvements brought by chemical modifications of the initial EPDM (antioxidant) seem to be inefficient as soon as the lowest irradiation doses (50 kGy) are applied. This preliminary study opens up a cost-effective opportunity for the in situ and non-destructive monitoring of polymer degradations in nuclear power plants.
Performance of a near Infrared Spectrometer Equipped with an Autosampling Accessory
Authors: Szydlowski-Zanier Nathalie , Berger Marc , Wahl François , Guillaume Denis
Published: May 2009

The performance of a Fourier-transform near infrared (FT-NIR) spectrometer equipped with an autosampling accessory (AutoSamplIR) using disposable vials with uncontrolled pathlength has been compared with the performance of an FT-NIR equipped with a manual vial sampling accessory using a reusable cell with calibrated pathlength. The effect of different parameters such as the signal-to-noise ratio, the stability of the purge and the linearity of absorbance have been evaluated by means of the NIR predictions of two physico-chemical properties of interest for gasoils, i.e the wt% of hydrogen and the cetane number (CN). It has been shown that an FT-NIR with the autosampling accessory can be used advantageously at low cost for quick and precise analyses of small amounts of sample.
Robustness of Models Based on NIR Spectra for Sugar Content Prediction in Apples
Authors: Sánchez Natalia Hernández , Lurol Sébastien , Roger Jean Michel , Bellon-Maurel Véronique
Published: May 2009

The sugar content of Golden Delicious apples is predicted using near infrared (NIR) spectrometry. The study focuses on the metrological characteristics of the sugar content measurement and external parameters involved in the lack of robustness of the NIR-based model. The external parameters were fruit temperature, spectrometer temperature and ambient light. The first two factors influenced the prediction accuracy: (i) a fruit temperature variation altered the prediction, the relationship seems to be described by a non-linear model within the considered temperature range, (ii) a variation of the spectrometer temperature also altered the prediction, the relationship is described by a linear function for a temperature between 4 and 30°C. Ambient light did not show to have any influence on the NIR-based model. The analysis of the metrological parameters showed a satisfactory repeatibility in sugar prediction with a low error, 0.073°Brix. The model reproducibility was good regarding bias-corrected standard error of prediction ( SEPc) without significant differences between experiments, on the other hand a bias remained even if the previous parameters were maintained constant. These results will be taken into account in future measurements, in order to improve the robustness of the NIR-based model developed for apples.
A Hyperspectral Imaging System for Identification of Faecal and Ingesta Contamination on Poultry Carcasses
Authors: Lawrence Kurt C. , Windham William R. , Park Bosoon , Buhr R. Jeff
Published: May 2009

A method and system for detecting faecal and ingesta contaminants on poultry carcasses were demonstrated. A visible/near infrared monochromator, which measured reflectance and principal component analysis were first used to identify key wavelengths from faecal and uncontaminated skin samples. Measurements at 434, 517, 565 and 628 nm were identified and used for evaluation with a hyperspectral imaging system. The hyperspectral imaging system, which was a line-scan (pushbroom) imaging system, consisted of a hyperspectral camera, fibre-optic line lights, a computer and frame grabber. The hyperspectral imaging camera consisted of a high-resolution charge coupled device (CCD) camera, a prism-grating-prism spectrograph, focusing lens, associated optical hardware and a motorised controller. The imaging system operated from about 400 to 900 nm. The hyperspectral imaging system was calibrated for wavelength, distance and percent reflectance and analysis of calibrated images at the key wavelengths indicated that single-wavelength images were inadequate for detecting contaminants. However, a ratio of images at two of the key wavelengths was able to identify faecal and ingesta contaminants. Specifically, the ratio of the 565-nm image divided by the 517-nm image produced good results. The ratio image was then further processed by masking the background and either enhancing the image contrast with a non-linear histogram stretch, or applying a faecal threshold. The results indicated that, for the limited sample population, more than 96% of the contaminants were detected. Thus, the hyperspectral imaging system was able to detect contaminants and showed feasibility, but was too slow for real-time on-line processing. Therefore, a multivariate system operating at 565 and 517 nm, which should be capable of operating at real-time on-line processing speed, should be used. Further research with such a system needs to be conducted.
Electronically Tunable-Laser Light Sources for near Infrared Spectroscopy
Authors: Sato Hidetoshi , Saito Norihito , Akagawa Kazuyuki , Wada Satoshi , Tashiro Hideo
Published: May 2009

This review paper focuses primarily on the recent progress in the development of electronically-tuned solid-state lasers and their application in near infrared (NIR) absorption and Raman spectroscopies. It also discusses the expansion of the tunable range and the generation of ultrashort pulses. Electronic control of laser wavelengths using an acousto-optical tunable filter (AOTF) was developed to provide rapid, accurate and random access to numerous wavelengths offering a programmable monochromatic energy under computer control. In contrast to tunable diode lasers that are for specific gaseous spectroscopic analysis, this type of stable, widely-tunable lasers is suited for the measurement of both liquid and solid samples, including biological materials, materials that have broad and overlapping features over a wide spectral range. In addition, some preliminary applications are presented, together with the present status of other tunable light sources applicable for NIR spectroscopy.
Internal Quality Assessment of Mandarin Fruit by vis/NIR Spectroscopy
Authors: McGlone V. Andrew , Fraser Daniel G. , Jordan Robert B. , Künnemeyer Rainer
Published: May 2009

Different measurement modes (reflectance, interactance and transmission) and spectral windows (500–1100 nm) were compared for their ability to predict non-destructively the harvest soluble solids content (SSC) and titratable acidity (TA) of Satsuma Mandarin ( Citrus reticulata cv. “Miyagawa”). A direct transmission measurement mode (source and sensor opposite sides of fruit) coupled with a single spectral window from 700 to 930 nm delivered the most accurate SSC predictions ( R2 = 0.93, RMSEP = 0.32%). Accurate TA prediction was not possible with any measurement mode and the predictive ability that was achieved (best results: R2 ∼ 0.65, RMSEP ∼ 0.15%) was only afforded indirectly through a correlation with the skin chlorophyll changes that occur as the fruit mature.
Discriminant Analysis of Wood-Based Materials with Weathering Damage by near Infrared Spectroscopy
Authors: Tsuchikawa Satoru , Yamato Kaori
Published: May 2009

This research was aimed at finding a suitable discriminate technique for wood-based materials which had suffered from weathering damage, as an analogue of waste wood condition, by means of near infrared (NIR) spectroscopy and several kinds of chemometrics. The feasibility of Mahalanobis generalised distance, K nearest neighbours (KNN) or soft independent modelling of class analogy (SIMCA) as the classification method of wooden materials was examined in detail. The differences in the accuracy of classification with the spectrophotometer (for example, laboratory use and field use), pre-treatment of NIR spectra or the wavelength range as the explanatory variables were also taken into account. Five categories of wood-based materials (solid wood, laminated wood, particle or fibreboard, impregnated wood and overlaid wood) were exposed to outdoor sunlight for up to six months. It was difficult to apply Mahalanobis generalised distance to the classification of five material types where the NIR spectra varied greatly with the sample categories. Both of KNN and SIMCA presented the highest correct classification of over 93%, independent of the spectrophotometer. These results support the applicability of NIR spectroscopy to the classification of waste wood at the actual factory and job site.
Spectroscopic Monitoring of Biomass Modification by Light-Irradiation and Heat Treatment
Authors: Tsuchikawa Satoru , Murata A. , Kohara M. , Mitsui K.
Published: May 2009

This study discusses the use of near infrared spectroscopy for monitoring of the process by which biomass is modified by light-irradiation and heat treatment. As a change in the colour of wood is closely related to the change in its physicochemical structure, we investigated the relationship between the tristimulus values and the diffusely-reflected near infrared spectra of wood samples during a constrained modification process. Such basic research is required to develop a new method of colouring wood without paint. The change in colour with heat treatment was much greater in light-irradiated wood than in non-irradiated wood. The change in the colour of wood by light-irradiation and heat treatment is related to the degradation of lignin and hemicellulose, which was evident from the variation of absorption bands at 1672 nm for CH in aromatic skeletal and 1724 nm for CH in furanose or pyranose. NIR spectroscopy will become a useful method for the detection of a change in chemical structure of wood caused by light-irradiated and heat treatment.
SAS® Partial Least Squares Regression for Analysis of Spectroscopic Data
Authors: Reeves James B. , Delwiche Stephen R.
Published: May 2009

The objective was to investigate the potential of SAS® partial least squares (PLS) to perform chemometric analysis of spectroscopic data. As implemented, SAS® (Version 8) can perform PLS regression (PLSR, Type II only), principal components and reduced rank regression. While possessing several algorithms for PLSR, various cross-validation options, the ability to mean centre and variance scale data prior to PLSR analysis or for each cross-validation and various options for determining the number of factors to use, SAS® does not possess any other spectral pre-treatments routinely used in spectroscopy. A program was written using SAS® macro language to implement 1st and 2nd gap derivatives, Savitzky–Golay derivatives and smoothing, the ability to skip or average spectral data points, to correct spectra for scatter correction by either multiplicative scatter correction or standard normal variate correction with or without detrend and, finally, to mean centre all data prior to regression analysis. In addition, an F-test method for factor selection was added. These macros can be implemented alone or in differing combinations or order, and result in a summary report containing results for hundreds or thousands of different data pre-treatments. A second program implements the macros in a fixed order. Results using a set of 67 forage samples, scanned in the near infrared, demonstrated that the same results can be achieved as with commercial chemometrics packages. In conclusion, SAS® PLS, while not possessing all the data pre-treatments of standard chemometric programs, can quickly and conveniently test many different data pre-treatments resulting in a single summary results file.