Direct Determination of Lycopene Content in Tomatoes (Lycopersicon esculentum) by Attenuated Total Reflectance Infrared Spectroscopy and Multivariate Analysis

Abstract Lycopene is a potent antioxidant that has been shown to play critical roles in disease prevention. Efficient assays for detection and quantification of lycopene are desirable as alternatives to time- and labor-intensive methods. Attenuated total reflectance infrared (ATR-IR) spectroscopy was used for quantification of lycopene in tomato varieties. Calibration models were developed by partial least-squares regression (PLSR) using quantitative measures of lycopene concentration from liquid chromatography as reference method. IR spectra showed a distinct marker band at 957 cm1 for trans Carbon-Hydrogen (CH) deformation vibration of lycopene. PLSR models predicted the lycopene content accurately and reproducibly with a correlation coefficient (σ) of 0.96 and standard error of cross-validation <0.80 mg/100 g. ATR-IR spectroscopy allowed for rapid, simple, and accurate determination of lycopene in tomatoes with minimal sample preparation. Results suggest that the ATR-IR method is applicable for high-throughput quantitative analysis and screening for lycopene in tomatoes.

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Direct determination of polymerized triglycerides in deep-frying olive oil by attenuated total reflectance–Fourier transform infrared spectroscopy using partial least squares regression

Analytical and Bioanalytical Chemistry ◽

10.1007/s00216-010-3546-6 ◽

2010 ◽

Vol 397 (2) ◽

pp. 861-869 ◽

Cited By ~ 15

Author(s):

Julia Kuligowski ◽

Guillermo Quintás ◽

Salvador Garrigues ◽

Miguel de la Guardia

Keyword(s):

Fourier Transform ◽

Infrared Spectroscopy ◽

Olive Oil ◽

Partial Least Squares Regression ◽

Direct Determination ◽

Attenuated Total Reflectance ◽

Deep Frying ◽

Least Squares Regression ◽

Total Reflectance

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Quantitative determination of polyphosphate in sediments using Attenuated Total Reflectance-Fourier Transform Infrared (ATR-FTIR) spectroscopy and partial least squares regression

The Analyst ◽

10.1039/c2an35289c ◽

2012 ◽

Vol 137 (16) ◽

pp. 3704 ◽

Cited By ~ 21

Author(s):

Aazam Khoshmanesh ◽

Perran L. M. Cook ◽

Bayden R. Wood

Keyword(s):

Fourier Transform ◽

Quantitative Determination ◽

Ftir Spectroscopy ◽

Least Squares ◽

Partial Least Squares ◽

Partial Least Squares Regression ◽

Attenuated Total Reflectance ◽

Least Squares Regression ◽

Total Reflectance

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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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Combined Experimental and Multivariate Model Approaches for Glycoalkaloid Quantification in Tomatoes

Molecules ◽

10.3390/molecules26113068 ◽

2021 ◽

Vol 26 (11) ◽

pp. 3068

Author(s):

Gabriella Tamasi ◽

Alessio Pardini ◽

Riccardo Croce ◽

Marco Consumi ◽

Gemma Leone ◽

...

Keyword(s):

Partial Least Squares Regression ◽

Reference Method ◽

Multivariate Model ◽

Attenuated Total Reflectance ◽

Least Squares Regression ◽

Total Reflectance ◽

Beneficial Effects ◽

Chromatographic Techniques ◽

Calibration Models ◽

Rapid Quantification

The intake of tomato glycoalkaloids can exert beneficial effects on human health. For this reason, methods for a rapid quantification of these compounds are required. Most of the methods for α-tomatine and dehydrotomatine quantification are based on chromatographic techniques. However, these techniques require complex and time-consuming sample pre-treatments. In this work, HPLC-ESI-QqQ-MS/MS was used as reference method. Subsequently, multiple linear regression (MLR) and partial least squares regression (PLSR) were employed to create two calibration models for the prediction of the tomatine content from thermogravimetric (TGA) and attenuated total reflectance (ATR) infrared spectroscopy (IR) analyses. These two fast techniques were proven to be suitable and effective in alkaloid quantification (R2 = 0.998 and 0.840, respectively), achieving low errors (0.11 and 0.27%, respectively) with the reference technique.

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