Quantitative Determination of Sugar Cane Sucrose by Multidimensional Statistical Analysis of Their Mid-Infrared Attenuated Total Reflectance Spectra

The sensorial properties of Colombian coffee are renowned worldwide, which is reflected in its market value. This raises the threat of fraud by adulteration using coffee grains from other countries, thus creating a demand for robust and cost-effective methods for the determination of geographical origin of coffee samples. Spectroscopic techniques such as Nuclear Magnetic Resonance (NMR), near infrared (NIR), and mid-infrared (mIR) have arisen as strong candidates for the task. Although a body of work exists that reports on their individual performances, a faithful comparison has not been established yet. We evaluated the performance of 1H-NMR, Attenuated Total Reflectance mIR (ATR-mIR), and NIR applied to fraud detection in Colombian coffee. For each technique, we built classification models for discrimination by species (C. arabica versus C. canephora (or robusta)) and by origin (Colombia versus other C. arabica) using a common set of coffee samples. All techniques successfully discriminated samples by species, as expected. Regarding origin determination, ATR-mIR and 1H-NMR showed comparable capacity to discriminate Colombian coffee samples, while NIR fell short by comparison. In conclusion, ATR-mIR, a less common technique in the field of coffee adulteration and fraud detection, emerges as a strong candidate, faster and with lower cost compared to 1H-NMR and more discriminating compared to NIR.

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Quantitative Determination of Band Distortions in Diamond Attenuated Total Reflectance Infrared Spectra

The Journal of Physical Chemistry B ◽

10.1021/jp101763y ◽

2010 ◽

Vol 114 (24) ◽

pp. 8255-8261 ◽

Cited By ~ 31

Author(s):

Maxime Boulet-Audet ◽

Thierry Buffeteau ◽

Simon Boudreault ◽

Nicolas Daugey ◽

Michel Pézolet

Keyword(s):

Quantitative Determination ◽

Infrared Spectra ◽

Attenuated Total Reflectance ◽

Total Reflectance

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Development and validation of an environmentally friendly attenuated total reflectance in the mid-infrared region method for the determination of ethanol content in used engine lubrication oil

Talanta ◽

10.1016/j.talanta.2013.02.047 ◽

2013 ◽

Vol 109 ◽

pp. 191-196 ◽

Cited By ~ 9

Author(s):

Rafael Rodrigues Hatanaka ◽

Rodrigo Sequinel ◽

Carlos Eduardo Gualtieri ◽

Antônio Carlos Bergamaschi Tercini ◽

Danilo Luiz Flumignan ◽

...

Keyword(s):

Environmentally Friendly ◽

Infrared Region ◽

Attenuated Total Reflectance ◽

Mid Infrared ◽

Total Reflectance ◽

Region Method ◽

Ethanol Content ◽

Lubrication Oil ◽

Development And Validation

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Quantitative determination of naltrexone by attenuated total reflectance – FTIR spectrometry using partial least squares (PLS) wavelength selection

Spectroscopy An International Journal ◽

10.1155/2009/942185 ◽

2009 ◽

Vol 23 (2) ◽

pp. 113-121 ◽

Cited By ~ 6

Author(s):

Mohammadreza Khanmohammadi ◽

Hamid Mobedi ◽

Elaheh Mobedi ◽

Kazem Kargosha ◽

Amir Bagheri Garmarudi ◽

...

Keyword(s):

Quantitative Determination ◽

Least Squares ◽

Partial Least Squares ◽

Reference Method ◽

Attenuated Total Reflectance ◽

Infrared Spectrometry ◽

Wavelength Selection ◽

Statistical Parameters ◽

Total Reflectance

A new method is presented for quantitative determination of naltrexone in aqueous solutions based up on the wavelength selection in mid-FTIR spectra using partial least squares (PLS) technique. The main aim is to find wavelengths which produce significant improvements in PLS prediction. PLS wavelength selection treatment is performed on the data obtained by attenuated total reflectance Fourier transform infrared spectrometry in 830–1800 cm−1wavenumber range. No separation or extraction steps are required prior to determination procedure and a simple pretreatment is performed. Absorbance spectra were employed for measurements using a set of 7 aqueous standard solutions of naltrexone. The method is applicable for pharmaceutical samples in aqueous solution in the presence of impurities, while it is simple, rapid and accurate. The results obtained from real samples were compared with those obtained using Ultra Violet spectrophotometry as a reference method. Statistical parameters such as R2, REP, RMSEC and RMSECV were evaluated, and number of factors, number of scans and resolution were also optimized. In this method R2and RMSEC for proposed procedure have been found to be 0.9983 and 0.1297, respectively.

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