The use of handheld near-infrared reflectance spectroscopy (NIRS) for the proximate analysis of poultry feed and to detect melamine adulteration of soya bean meal

The use of handheld near infrared (NIR) instrumentation, as a tool for rapid analysis, has the potential to be used widely in the animal feed sector. A comparison was made between handheld NIR and benchtop instruments in terms of proximate analysis of poultry feed using off-the-shelf calibration models and including statistical analysis. Additionally, melamine adulterated soya bean products were used to develop qualitative and quantitative calibration models from the NIRS spectral data with excellent calibration models and prediction statistics obtained. With regards to the quantitative approach, the coefficients of determination (R2) were found to be 0.94-0.99 with the corresponding values for the root mean square error of calibration and prediction were found to be 0.081-0.215 % and 0.095-0.288 % respectively. In addition, cross validation was used to further validate the models with the root mean square error of cross validation found to be 0.101-0.212 %. Furthermore, by adopting a qualitative approach with the spectral data and applying Principal Component Analysis, it was possible to discriminate between adulterated and pure samples.

Classification the geographical origin of corn distillers dried grains with solubles by near infrared reflectance spectroscopy combined with chemometrics: A feasibility study

In this study, 137 corn distillers dried grains with solubles (DDGS) samples from a range of different geographical origins (Jilin Province of China, Heilongjiang Province of China, USA and Europe) were collected and analysed. Different near infrared spectrometers combined with different chemometric packages were used in two independent laboratories to investigate the feasibility of classifying geographical origin of DDGS. Base on the same dataset, one laboratory developed a partial least square discriminant analysis model and another laboratory developed an orthogonal partial least square discriminant analysis model. Results showed that both models could perfectly classify DDGS samples from different geographical origins. These promising results encourage the development of larger scale efforts to produce datasets which can be used to differentiate the geographical origin of DDGS and such efforts are required to provide higher level food security measures on a global scale.

Using Vibrational Infrared Biomolecular Spectroscopy to Detect Heat-Induced Changes of Molecular Structure in Relation to Nutrient Availability of Prairie Whole Oat Grains on a Molecular Basis

Background To our knowledge, there is little study on the interaction between nutrient availability and molecular structure changes induced by different processing methods in dairy cattle. The objective of this study was to investigate the effect of heat processing methods on interaction between nutrient availability and molecular structure in terms of functional groups that are related to protein and starch inherent structure of oat grains with two continued years and three replication of each year. Method The oat grains were kept as raw (control) or heated in an air-draft oven (dry roasting: DO) at 120 °C for 60 min and under microwave irradiation (MIO) for 6 min. The molecular structure features were revealed by vibrational infrared molecular spectroscopy. Results The results showed that rumen degradability of dry matter, protein and starch was significantly lower (P <0.05) for MIO compared to control and DO treatments. A higher protein α-helix to β-sheet and a lower amide I to starch area ratio were observed for MIO compared to DO and/or raw treatment. A negative correlation (−0.99, P < 0.01) was observed between α-helix or amide I to starch area ratio and dry matter. A positive correlation (0.99, P < 0.01) was found between protein β-sheet and crude protein. Conclusion The results reveal that oat grains are more sensitive to microwave irradiation than dry heating in terms of protein and starch molecular profile and nutrient availability in ruminants.

Feature Selection for Anomaly Detection Using Optical Emission Spectroscopy

To maintain the pace of development set by Moore's law, production processes in semiconductor manufacturing are becoming more and more complex. The development of efficient and interpretable anomaly detection systems is fundamental to keeping production costs low. As the dimension of process monitoring data can become extremely high anomaly detection systems are impacted by the curse of dimensionality, hence dimensionality reduction plays an important role. Classical dimensionality reduction approaches, such as Principal Component Analysis, generally involve transformations that seek to maximize the explained variance. In datasets with several clusters of correlated variables the contributions of isolated variables to explained variance may be insignificant, with the result that they may not be included in the reduced data representation. It is then not possible to detect an anomaly if it is only reflected in such isolated variables. In this paper we present a new dimensionality reduction technique that takes account of such isolated variables and demonstrate how it can be used to build an interpretable and robust anomaly detection system for Optical Emission Spectroscopy data.

Intense near-infrared luminescence of anhydrous lanthanide(III) iodides in an imidazolium ionic liquid

Anhydrous neodymium(III) iodide and erbium(Ill) iodide were dissolved in carefully dried batches of the ionic liquid 1-dodecyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide, [C(12)mim][Tf2N]. Provided that the ionic liquid had a low water content, intense near-infrared emission could be observed for both the neodymium(III) ion and for the erbium(III) ion. Luminescence lifetimes have been measured, and the quantum yield of the neodymium(III) sample has been measured. Exposure of the hygroscopic samples to atmospheric moisture conditions caused a rapid decrease of the luminescence intensities. (C) 2004 Elsevier B.V. All rights reserved.

The prediction of intake potential and organic matter digestibility of grass silages by near infrared spectroscopy analysis of undried samples

A study was undertaken to examine a range of sample preparation and near infrared reflectance spectroscopy (NIPS) methodologies, using undried samples, for predicting organic matter digestibility (OMD g kg(-1)) and ad libitum intake (g kg(-1) W-0.75) of grass silages. A total of eight sample preparation/NIRS scanning methods were examined involving three extents of silage comminution, two liquid extracts and scanning via either external probe (1100-2200 nm) or internal cell (1100-2500 nm). The spectral data (log 1/R) for each of the eight methods were examined by three regression techniques each with a range of data transformations. The 136 silages used in the study were obtained from farms across Northern Ireland, over a two year period, and had in vivo OMD (sheep) and ad libitum intake (cattle) determined under uniform conditions. In the comparisons of the eight sample preparation/scanning methods, and the differing mathematical treatments of the spectral data, the sample population was divided into calibration (n = 91) and validation (n = 45) sets. The standard error of performance (SEP) on the validation set was used in comparisons of prediction accuracy. Across all 8 sample preparation/scanning methods, the modified partial least squares (MPLS) technique, generally minimized SEP's for both OMD and intake. The accuracy of prediction also increased with degree of comminution of the forage and with scanning by internal cell rather than external probe. The system providing the lowest SEP used the MPLS regression technique on spectra from the finely milled material scanned through the internal cell. This resulted in SEP and R-2 (variance accounted for in validation set) values of 24 (g/kg OM) and 0.88 (OMD) and 5.37 (g/kg W-0.75) and 0.77 (intake) respectively. These data indicate that with appropriate techniques NIRS scanning of undried samples of grass silage can produce predictions of intake and digestibility with accuracies similar to those achieved previously using NIRS with dried samples. (C) 1998 Elsevier Science B.V.

Charge exchange emission from solar wind helium ions

Charge exchange X-ray and far-ultraviolet (FUV) aurorae can provide detailed insight into the interaction between solar system plasmas. Using the two complementary experimental techniques of photon emission spectroscopy and translation energy spectroscopy, we have studied state-selective charge exchange in collisions between fully ionized helium and target gasses characteristic of cometary and planetary atmospheres (H2O, CO2, CO, and CH4). The experiments were performed at velocities typical for the solar wind (200-1500 km s(-1)). Data sets are produced that can be used for modeling the interaction of solar wind alpha particles with cometary and planetary atmospheres. These data sets are used to demonstrate the diagnostic potential of helium line emission. Existing Extreme Ultraviolet Explorer (EUVE) observations of comets Hyakutake and Hale-Bopp are analyzed in terms of solar wind and coma characteristics. The case of Hale-Bopp illustrates well the dependence of the helium line emission to the collision velocity. For Hale-Bopp, our model requires low velocities in the interaction zone. We interpret this as the effect of severe post-bow shock cooling in this extraordinary large comet.

Phase and space resolved optical emission spectroscopic investigations of an inductively coupled RF plasma using an imaging acousto-optic spectrometer

A novel acousto-optic spectrometer (IfU Diagnostic Systems GmbH) for 2-dimensional (2D) optical emission spectroscopy with high spectral resolution has been developed. The spectrometer is based on acousto-optic tuneable filter technology with fast random wavelength access. Measurements for characterisation of the imaging quality, the spatial resolution, and the spectral resolution are presented. The applicability for 2D-space and phase resolved optical emission spectroscopy (2D-PROES) is shown. 2D-PROES has been applied to an inductively coupled plasma with radio frequency excitation at 13.56 MHz.

Diagnostic studies of species concentrations in a capacitively coupled RF plasma containing CH4-H2-Ar

Three plasma diagnostic methods, tunable infrared diode laser absorption spectroscopy, optical emission spectroscopy and microwave interferometry have been used to monitor concentrations of transient and stable molecules, CH3, CH4, C2H2, C2H6, and of electrons in capacitively coupled CH4-H-2-Ar radiofrequency (RF) plasmas (f(RF) = 13.56 MHz, p = 100 Pa, phi (total)= 66 sccm) for various discharge power values (P = 10-100 W) and gas mixtures. The degree of dissociation of the methane precursor varied between 3% and 60%. The methyl radical concentration was found to be in the order of 10(12) molecules cm(-3) and the electron concentration in the order of loll cm(-3). The methyl radical concentration and the concentrations of the stable C-2 hydrocarbons, C2H2 and C2H6, produced in the plasma, increased with discharge power. The fragmentation rates of the methane precursor and conversion rates to the measured C-2 hydrocarbons were estimated in dependence on discharge power. Radial distributions of the electron and methyl radical concentrations, and of the gas temperature were measured for the first time simultaneously in the plasma region between the discharge electrodes. The measurements allow us to draw qualitative conclusions on the main chemical processes and the plasma chemical reaction paths.

Space and phase resolved optical emission in mode transitions of radio-frequency inductively coupled plasmas

Inductively coupled radio-frequency plasmas can be operated in two distinct modes. At low power and comparatively low plasma densities the plasma is sustained in capacitive mode (E-mode). As the plasma density increases a transition to inductive mode (H-mode) is observed. This transition region is of particular interest and governed by non-linear dynamics, which under certain conditions results in structure formation with strong spatial gradients in light emission. These modes show pronounced differences is various measureable quantities e.g. electron densities, electron energy distribution functions, ion energy distribution functions, dynamics of optical light emission. Here the transition from E- to H- mode in an oxygen containing inductively coupled plasma (ICP) is investigated using space and phase resolved optical emission spectroscopy (PROES). The emission, measured phase resolved, allows investigation of the electron dynamics within the rf cycle, important for understanding the power coupling and ionization mechanisms in the discharge. The temporal variation of the emission reflects the dynamics of relatively high-energy electrons. It is possible to distinguish between E- and H-mode from the intensity and temporal behaviour of the emission.

Rare-earth nitroquinolinates: Visible-light-sensitizable near-infrared emitters in aqueous solution

Water-soluble, stable, and easily synthesizable 1:4 complexes of rare-earth ions with 8-hydroxy-5-nitroquinolinate ligands have been prepared. These complexes can be sensitized by visible light with wavelengths up to 480 nm and show near-infrared emission in aqueous solution. The incorporation of a nitro group in the quinoline moiety shifts its absorption bands to longer wavelengths and also increases its molar absorptivity by a factor of 2.5, thereby significantly enhancing its light-harvesting power. The presence of the nitro group also increases the solubility of the resulting complexes, making them water-soluble. (c) Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2007.

Dust and the type II-Plateau supernova 2004dj

We present mid-infrared (MIR) spectroscopy of a Type II-plateau supernova, SN 2004dj, obtained with the Spitzer Space Telescope, spanning 106--1393d after explosion. MIR photometry plus optical/near-IR observations are also reported. An early-time MIR excess is attributed to emission from non-silicate dust formed within a cool dense shell (CDS). Most of the CDS dust condensed between 50d and 165d, reaching a mass of $0.3x^(-5)Msun. Throughout the observations much of the longer wavelength (>10microns) part of the continuum is explained as an IR echo from interstellar dust. The MIR excess strengthened at later times. We show that this was due to thermal emission from warm, non-silicate dust formed in the ejecta. Using optical/near-IR line-profiles and the MIR continua, we show that the dust was distributed as a disk whose radius appeared to be slowly shrinking. The disk radius may correspond to a grain destruction zone caused by a reverse shock which also heated the dust. The dust-disk lay nearly face-on, had high opacities in the optical/near-IR regions, but remained optically thin in the MIR over much of the period studied. Assuming a uniform dust density, the ejecta dust mass by 996d was 0.5+/-0.1 x 10^(-4)Msun, and exceeded 10^(-4)Msun by 1393d. For a dust density rising toward the center the limit is higher. Nevertheless, this study suggests that the amount of freshly-synthesized dust in the SN 2004dj ejecta is consistent with that found from previous studies, and adds further weight to the claim that such events could not have been major contributors to the cosmic dust budget.