| Literature DB >> 35836590 |
Márton Égei1, Sándor Takács1, Gábor Palotás2, Gabriella Palotás2, Péter Szuvandzsiev2, Hussein Gehad Daood3, Lajos Helyes1, Zoltán Pék1.
Abstract
Tomato-based products are significant components of vegetable consumption. The processing tomato industry is unquestionably in need of a rapid definition method for measuring soluble solids content (SSC) and lycopene content. The objective was to find the best chemometric method for the estimation of SSC and lycopene content from visible and near-infrared (Vis-NIR) absorbance and reflectance data so that they could be determined without the use of chemicals in the process. A total of 326 Vis-NIR absorbance and reflectance spectra and reference measurements were available to calibrate and validate prediction models. The obtained spectra can be manipulated using different preprocessing methods and multivariate data analysis techniques to develop prediction models for these two main quality attributes of tomato fruits. Eight different method combinations were compared in homogenized and intact fruit samples. For SSC prediction, the results showed that the best root mean squared error of cross-validation (RMSECV) originated from raw absorbance (0.58) data and with multiplicative scatter correction (MSC) (0.59) of intact fruit in Vis-NIR, and first derivatives of reflectance (R 2 = 0.41) for homogenate in the short-wave infrared (SWIR) region. The best predictive ability for lycopene content of homogenate in the SWIR range (R 2 = 0.47; RMSECV = 17.95 mg kg-1) was slightly lower than that of Vis-NIR (R 2 = 0.68; 15.07 mg kg-1). This study reports the suitability of two Vis-NIR spectrometers, absorbance/reflectance spectra, preprocessing methods, and partial least square (PLS) regression to predict SSC and lycopene content of intact tomato fruit and its homogenate.Entities:
Keywords: SSC; Vis-NIR; absorbance; lycopene; preprocessing; reflectance; spectroscopy; tomato
Year: 2022 PMID: 35836590 PMCID: PMC9274195 DOI: 10.3389/fnut.2022.845317
Source DB: PubMed Journal: Front Nutr ISSN: 2296-861X
Predictive capability of calibration models for SSC and lycopene content of tomato samples by ASD and Perten spectrometers.
| Fruit ( | Homogenate ( | ||||||||||||
| ASD (Vis-NIR) | ASD (Vis-NIR) | Perten (SWIR) | |||||||||||
| R2CAL | RMSEC | R2VAL | RMSECV | R2CAL | RMSEC | R2VAL | RMSECV | R2CAL | RMSEC | R2VAL | RMSECV | ||
| SSC | Reflectance | 0.73 | 0.49 | 0.62 | 0.64 | 0.17 | 0.70 | 0.20 | 0.59 | 0.65 | 0.45 | 0.55 | 0.44 |
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| 0.61 | 0.48 | 0.58 | 0.43 | 0.67 | 0.44 | 0.58 | 0.43 | |
| REF + MSC | 0.67 | 0.55 | 0.54 | 0.70 | 0.01 | 0.76 | 0.00 | 0.66 | 0.59 | 0.49 | 0.57 | 0.43 | |
| REF + SNV | 0.63 | 0.58 | 0.52 | 0.71 | 0.38 | 0.60 | 0.52 | 0.46 | 0.64 | 0.45 | 0.60 | 0.42 | |
| REF + 1DER | 0.47 | 0.69 | 0.47 | 0.74 | 0.30 | 0.64 | 0.37 | 0.52 |
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| ABS + MSC |
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| 0.62 | 0.47 | 0.54 | 0.45 | 0.60 | 0.49 | 0.56 | 0.44 | |
| ABS + SNV | 0.85 | 0.37 | 0.66 | 0.60 |
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| 0.66 | 0.45 | 0.59 | 0.42 | |
| ABS + 1DER | 0.77 | 0.46 | 0.55 | 0.69 | 0.57 | 0.50 | 0.51 | 0.46 |
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| LYCOPENE | Reflectance | 0.36 | 41.01 | 0.42 | 41.06 | 0.07 | 27.38 | 0.10 | 23.47 | 0.46 | 20.99 | 0.43 | 18.70 |
| Absorbance | 0.30 | 42.94 | 0.40 | 41.63 |
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| 0.48 | 20.47 | 0.44 | 18.41 | |
| REF + MSC | 0.54 | 34.89 | 0.41 | 41.19 | 0.01 | 28.37 | 0.00 | 24.68 | 0.46 | 20.94 | 0.38 | 19.48 | |
| REF + SNV | 0.57 | 33.70 | 0.41 | 41.34 | 0.52 | 19.79 | 0.52 | 17.07 | 0.45 | 21.15 | 0.37 | 19.51 | |
| REF + 1DER | 0.50 | 36.37 | 0.28 | 45.68 | 0.26 | 24.47 | 0.20 | 22.10 | 0.44 | 21.21 | 0.42 | 18.77 | |
| ABS + MSC |
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| 0.61 | 17.66 | 0.52 | 17.09 | 0.49 | 20.34 | 0.38 | 19.50 | |
| ABS + SNV |
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| 0.63 | 17.25 | 0.52 | 17.14 | 0.45 | 21.05 | 0.35 | 19.84 | |
| ABS + 1DER | 0.52 | 35.50 | 0.34 | 43.64 | 0.46 | 20.98 | 0.41 | 18.99 |
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ASD, ASD FieldSpec HandHeld 2™ portable spectroradiometer; PERTEN, Perten DA7200 NIR analysis system; Vis-NIR, visible and near infrared; SWIR, short-wave infrared; CAL, calibration; VAL, validation; RMSEC, root mean square error of calibration; RMSECV, root mean square error of cross-validation; REF, reflectance; ABS, absorbance; MSC, multiplicative scattering correction; SNV, standard normal variate; 1DER, first derivative. Bold numbers mean the best calibration and prediction of models.
FIGURE 1Average reflectance spectra of intact tomato fruit samples for calibration and validation in Vis-NIR by ASD; vertical bars represent the standard deviation (calibration n = 99; validation n = 33).
FIGURE 2Average reflectance spectra of homogenized tomato fruit samples for calibration and validation in Vis-NIR by ASD; vertical bars represent the standard deviation (calibration n = 144; validation n = 48).
FIGURE 3Average absorbance spectra of homogenized tomato fruit samples for calibration and validation in SWIR by Perten; vertical bars represent the standard deviation (calibration n = 144; validation n = 48).
FIGURE 4Distribution of SSC and lycopene content of intact tomato fruit for the calibration (n = 99) and validation (n = 33) sets.
FIGURE 5Distribution of SSC and lycopene content of homogenized samples for the calibration (n = 144) and validation (n = 48) sets.
SSC and lycopene content of intact tomato fruits and homogenized samples in the calibration and validation sets.
| Total ( | Calibration ( | Validation ( | |||||||
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| SSC (°Brix) | 3.07–6.70 | 4.80 | 0.96 | 3.07–6.60 | 4.80 | 0.18 | 3.20–6.70 | 4.81 | 0.35 |
| Lycopene (mg kg–1) | 79.4–287.5 | 167.9 | 51.2 | 81.6–287.5 | 168.5 | 9.97 | 79.4–282.2 | 166.2 | 18.2 |
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| SSC (°Brix) | 3.85–7.41 | 5.17 | 0.77 | 3.96–7.41 | 5.20 | 0.13 | 3.85–6.49 | 5.09 | 0.11 |
| Lycopene (mg kg–1) | 63–223 | 109.4 | 28.5 | 63.0–223.0 | 110.5 | 4.85 | 73.0–181.0 | 106.0 | 4.01 |
FIGURE 6Calibration (Cal) and validation (Val) set of reference (n = 99) vs. predicted (n = 33) SSC of intact tomato fruits derived from the best PLSR model from absorbance of Vis-NIR spectra with MSC preprocessing.
FIGURE 7Calibration (Cal) and validation (Val) set of reference (n = 99) vs. predicted (n = 33) SSC of tomato homogenates derived from the best PLSR model from reflectance of SWIR spectra with first derivative preprocessing.
FIGURE 8Calibration (Cal) and validation (Val) set of reference (n = 144) vs. predicted (n = 48) lycopene content of homogenized tomato fruit samples derived from the best PLSR model from absorbance of Vis-NIR spectra.
FIGURE 9Calibration (Cal) and validation (Val) set of reference (n = 144) vs. predicted (n = 48) lycopene content of homogenized tomato fruit samples derived from the best PLSR model from absorbance of SWIR spectra with first derivative preprocessing.