Structure of aqueous electrolyte solutions estimated by near infrared spectroscopy and chemometric analysis of spectral data

2014 ◽  
Vol 84 (10) ◽  
pp. 1877-1887 ◽  
Author(s):  
A. G. Davidian ◽  
A. G. Kudrev ◽  
L. A. Myund ◽  
O. S. Khlynova ◽  
M. K. Khripun
2020 ◽  
Vol 0 (0) ◽  
Author(s):  
Xuyang Pan ◽  
Laijun Sun ◽  
Guobing Sun ◽  
Panxiang Rong ◽  
Yuncai Lu ◽  
...  

AbstractNeutral detergent fiber (NDF) content was the critical indicator of fiber in corn stover. This study aimed to develop a prediction model to precisely measure NDF content in corn stover using near-infrared spectroscopy (NIRS) technique. Here, spectral data ranging from 400 to 2500 nm were obtained by scanning 530 samples, and Monte Carlo Cross Validation and the pretreatment were used to preprocess the original spectra. Moreover, the interval partial least square (iPLS) was employed to extract feature wavebands to reduce data computation. The PLSR model was built using two spectral regions, and it was evaluated with the coefficient of determination (R2) and root mean square error of cross validation (RMSECV) obtaining 0.97 and 0.65%, respectively. The overall results proved that the developed prediction model coupled with spectral data analysis provides a set of theoretical foundations for NIRS techniques application on measuring fiber content in corn stover.


Food Research ◽  
2021 ◽  
Vol 5 (3) ◽  
pp. 273-280
Author(s):  
C.D.M. Ishkandar ◽  
N.M. Nawi ◽  
R. Janius ◽  
N. Mazlan ◽  
T.T. Lin

Pesticides have long been used in the cabbage industry to control pest infestation. This study investigated the potential application of low-cost and portable visible shortwave near-infrared spectroscopy for the detection of deltamethrin residue in cabbages. A total of sixty organic cabbage samples were used. The sample was divided into four batches, three batches were sprayed with deltamethrin pesticide whereas the remaining batch was not sprayed (control sample). The first three batches of the cabbages were sprayed with the pesticide at three different concentrations, namely low, medium and high with the values of 0.08, 0.11 and 0.14% volume/volume (v/v), respectively. Spectral data of the cabbage samples were collected using visible shortwave near-infrared (VSNIR) spectrometer with wavelengths range between 200 and 1100 nm. Gas chromatography-electron capture detector (GC-ECD) was used to determine the concentration of deltamethrin residues in the cabbages. Partial least square (PLS) regression method was adopted to investigate the relationship between the spectral data and deltamethrin concentration values. The calibration model produced the values of coefficient of determination (R2 ) and the root mean square error of calibration (RMSEC) of 0.98 and 0.02, respectively. For the prediction model, the values of R2 and the root mean square error of prediction (RMSEP) were 0.94 and 0.04, respectively. These results demonstrated that the proposed spectroscopic measurement is a promising technique for the detection of pesticide at different concentrations in cabbage samples.


2021 ◽  
Vol 42 (3) ◽  
pp. 1287-1302
Author(s):  
Camila Cano Serafim ◽  
◽  
Geisi Loures Guerra ◽  
Ivone Yurika Mizubuti ◽  
Filipe Alexandre Boscaro de Castro ◽  
...  

The reduction in the quality, consumption, and digestibility of forage can cause a decrease in animal performance, resulting in losses to the rural producer. Thus, it is important to monitor these characteristics in forage plants to devise strategies or practices that optimize production systems. The aim of this study was to develop and validate prediction models using near-infrared spectroscopy (NIRS) to determine the chemical composition of Tifton 85 grass. Samples of green grass, its morphological structures (whole plant, leaf blade, stem + sheath, and senescent material) and hay, totaling 105 samples were used. Conventional chemical analysis was performed to determine the content of oven-dried samples (ODS), mineral matter (MM), crude protein (CP), neutral detergent fiber (NDF), acid detergent fiber (ADF), acid detergent lignin (ADL), cellulose (CEL), hemicellulose (HEM), and in vitro dry matter digestibility (IVDMD). Subsequently, all the samples were scanned using a Vis-NIR spectrometer to collect spectral data. Principal component analysis (PCA) was applied to the data set, and modified partial least squares was used to correlate reference values to spectral data. The coefficients of determination (R2) were 0.74, 0.85, 0.98, 0.75, 0.85, 0.71, 0.82, 0.77, and 0.93, and the ratio of performance deviations (RPD) obtained were 1.99, 2.71, 6.46, 2.05, 2.58, 3.84, 1.86, 2.35, 2.09, and 3.84 for ODS, MM, CP, NDF, ADF, ADL, CEL, HEM, and IVDMD, respectively. The prediction models obtained, in general, were considered to be of excellent quality, and demonstrated that the determination of the chemical composition of Tifton 85 grass can be performed using NIRS technology, replacing conventional analysis.


2016 ◽  
Vol 80 ◽  
pp. 156-164 ◽  
Author(s):  
Sofia Lafhal ◽  
Pierre Vanloot ◽  
Isabelle Bombarda ◽  
Jacky Kister ◽  
Nathalie Dupuy

2008 ◽  
Vol 28 (2) ◽  
pp. 122-136 ◽  
Author(s):  
Yunqiao Pu ◽  
Arthur Ragauskas ◽  
Lucian Lucia ◽  
Ved Naithani ◽  
Hasan Jameel

2016 ◽  
Vol 70 (9) ◽  
pp. 1476-1488 ◽  
Author(s):  
Benoît Igne ◽  
Hiroaki Arai ◽  
James K. Drennen ◽  
Carl A. Anderson

While the sampling of pharmaceutical products typically follows well-defined protocols, the parameterization of spectroscopic methods and their associated sampling frequency is not standard. Whereas, for blending, the sampling frequency is limited by the nature of the process, in other processes, such as tablet film coating, practitioners must determine the best approach to collecting spectral data. The present article studied how sampling practices affected the interpretation of the results provided by a near-infrared spectroscopy method for the monitoring of tablet moisture and coating weight gain during a pan-coating experiment. Several coating runs were monitored with different sampling frequencies (with or without co-adds (also known as sub-samples)) and with spectral averaging corresponding to processing cycles (1 to 15 pan rotations). Beyond integrating the sensor into the equipment, the present work demonstrated that it is necessary to have a good sense of the underlying phenomena that have the potential to affect the quality of the signal. The effects of co-adds and averaging was significant with respect to the quality of the spectral data. However, the type of output obtained from a sampling method dictated the type of information that one can gain on the dynamics of a process. Thus, different sampling frequencies may be needed at different stages of process development.


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