scholarly journals NIR Absorbance Characteristics of Deoxynivalenol and of Sound and Fusarium-Damaged Wheat Kernels

2009 ◽  
Vol 17 (4) ◽  
pp. 213-221 ◽  
Author(s):  
Kamaranga H.S. Peiris ◽  
Michael O. Pumphrey ◽  
Floyd E. Dowell

The near infrared (NIR) absorption spectra of deoxynivalenol (DON) and single wheat kernels with or without DON were examined. The NIR absorption spectra of 0.5–2000 ppm of DON in acetonitrile were recorded in the 350–2500 nm range. Second derivative processing of the NIR spectra and spectral subtractions showed DON absorption bands at 1408 nm, 1904 nm and 1919 nm. NIR spectra of sound and Fusarium-damaged kernels were also acquired using two instruments. Subtraction of average absorption spectra and second derivative spectra were evaluated to identify different NIR signatures of the two types of kernel. Differences in peak height and positions of the NIR absorption bands of the kernels were noted. At 1204 nm, 1365 nm and 1700 nm, the differences were in the heights of the absorption peaks. Such differences may be attributed to changes in the levels of grain food reserves such as starches, proteins and lipids and other structural compounds. Shifts in absorption peak positions between the two types of kernels were observed at 1425–1440 nm and 1915–1930 nm. These differences may arise from other NIR active compounds, such as DON, which are not common for the two types of kernel. Since the NIR absorption of DON may have contributed to the shifts between sound and Fusarium-damaged kernels, this study indicates the potential for NIR spectrometry to evaluate Fusarium damage in single kernels based on the DON levels.

1993 ◽  
Vol 47 (10) ◽  
pp. 1712-1715 ◽  
Author(s):  
Liudmil Antonov ◽  
Stefan Stoyanov

The resolution of overlapping bands in the UV-Vis absorption spectra leading to determination of their basic parameters ([Formula: see text]) provides important information about the energies and probabilities of the electronic transitions. In the analysis of UV-Vis absorption spectra recorded linearly in wavelength by means of modern spectrophotometers with holographic gratings, the analytical shape describing individual bands is asymmetric. This factor leads to certain limitations in determining their number with the use of the second-derivative spectra and decreased effectiveness of the computing procedure. It was found that the loss of information in d2 A/dλ2 is due to its long-wavelength attenuation in comparison with d2 A/dν˜2. An analytical equation connecting d2 A/dλ2 with d2 A/dν˜2 is proposed, which restores the information from the second derivative in the long-wavelength region.


1995 ◽  
Vol 3 (4) ◽  
pp. 203-210 ◽  
Author(s):  
Munehiro Tanaka ◽  
Ayako Shibata ◽  
Nobuyuki Hayashi ◽  
Takayuki Kojima ◽  
Hisashi Maeda ◽  
...  

To obtain fundamental knowledge on the development of micro analyses for constituents in water, the discrimination of three varieties of commercial natural mineral water, ultra pure water and deionised water, was attempted using near infrared (NIR) spectroscopy. Both the original NIR spectra and their second derivatives were almost identical to each other for these five types of water and it was difficult to discriminate between their spectra visually. However, the use of discriminant analysis enabled the five kinds of waters to be distinguished. Principal component analysis for the second derivative spectra revealed that the independent variables of the discriminant analysis were identical with the wavelength regions affected by ionic hydration. For the discrimination of water, the original spectra were more suitable than the second derivative spectra because the baseline variation of the original spectra had the useful information for the analysis.


1995 ◽  
Vol 3 (4) ◽  
pp. 219-225 ◽  
Author(s):  
Hitoshi Takamura ◽  
Noriko Hyakumoto ◽  
Naoko Endo ◽  
Teruyoshi Matoba ◽  
Tamako Nishiike

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


1996 ◽  
Vol 50 (1) ◽  
pp. 35-42 ◽  
Author(s):  
Busolo Wa Wabuyele ◽  
Peter De B. Harrington

A fuzzy optimal associative memory (FOAM) has been devised for background correction of near-infrared spectra. The FOAM yields improved predicted background scans for calculation of near-IR absorbance spectra of glucose in plasma matrices from single-beam data. The FOAM is an enhanced optimal associative memory (OAM) that uses a fuzzy function for encoding the spectra. The FOAM can predict a matching reference spectrum for a near-IR absorbance spectrum with low glucose absorbances by using second-derivative spectra. Glucose concentrations were predicted from calibration models furnished by partial least-squares (PLS). The FOAM stored reference spectra obtained from either water/phosphate buffer or plasma/glucose solutions. Both of these associative memories were evaluated. The standard error of prediction (SEP) for glucose concentration from an optimal PLS calibration model based on FOAM-corrected spectra was 0.60 mM for the water/phosphate buffer spectra. For FOAM-corrected spectra from plasma/glucose reference spectra, the SEP was 0.68 mM. The SEP of conventionally corrected double-beam second-derivative spectra was 0.81 mM. FOAM-corrected spectra generally furnish improved calibration models.


2017 ◽  
Vol 25 (1) ◽  
pp. 26-35 ◽  
Author(s):  
Piyamart Jannok ◽  
Yoshinori Kamitani ◽  
Kazunori Hironaka ◽  
Michio Shibayama ◽  
Sumio Kawano

In order to create a calibration model with temperature compensation, the calibration method using the partial least squares regression based on the combined spectra measured at some different temperatures is promising. However, the method is time-consuming since it requires spectra acquisition at different temperatures. In addition, the sample quality may change during the period for the different temperature adjustment of samples. The spectra of the target fruit species of peaches, pears, and persimmons were measured at 25℃ using the interactance method. Spectra for 20℃ and 30℃ were created artificially using temperature-difference second derivative spectra from the 25℃-second derivative spectra. Then, the possibility of temperature-difference second derivative spectra of fruit(s) to create the correct 20℃ and 30℃ artificial second derivative spectra was evaluated. The temperature-difference second derivative spectra created from each target fruit species could be useful for each target fruit species while the common temperature-difference second derivative spectra created from the three target fruit species were useful for not only each target fruit species but also the other fruit species of apples. The calibration model for apples developed using the common temperature-difference second derivative spectra showed low standard error of performance and bias of 0.45°Brix and 0.09°Brix, respectively. The model could be applied well to the prediction sets of apples at 20℃, 25℃, and 30℃ with non-significant biases.


1997 ◽  
Vol 51 (10) ◽  
pp. 1504-1510 ◽  
Author(s):  
Christina I. Gerhäusser ◽  
Karl-Artur Kovar

The suitability of near-infrared reflectance analysis (NIRA) as a noninvasive method for “real-time” spectral verification of drug substances is evaluated. Strategies for development and optimization of reference libraries by different mathematical means are discussed. In order to compare data preprocessing techniques, factor-based libraries were constructed with the use of raw and second-derivative spectra of 17 benzodiazepines collected over the wavelength range from 1100 to 2500 nm. Validation of the models by predicting the identity of test set samples using the correlation coefficient proved that using the derivatives enhanced the library's selectivity dramatically, as the recognition rates increased from 25 to 100%. Two pattern recognition methods, correlation coefficient and distance, were applied to confirm the identity of 117 drugs by using libraries based on full-range second-derivative spectra. Recognition rates of 99.2% were obtained from a factor-based library with the use of the correlation coefficient. Even structural analogues could be reliably classified among highly dissimilar drugs. The construction of sub-libraries consisting solely of similar drugs offered no advantages. Considerable data reduction by principal component analysis (PCA) made NIRA a rapid and effective method of analysis providing a high degree of reliability.


1994 ◽  
Vol 86 (2) ◽  
pp. 349-354 ◽  
Author(s):  
Haiping Su ◽  
Michel D. Ransom ◽  
Edward T. Kanemasu ◽  
Tanvir H. Demetriades‐Shah

Sign in / Sign up

Export Citation Format

Share Document