| Literature DB >> 35424884 |
Shymaa S Soliman1, Alaadin E El-Haddad2, Ghada A Sedik3, Mohamed R Elghobashy3,1, Hala E Zaazaa3, Ahmed S Saad3,4.
Abstract
Turmeric is an indispensable culinary spice in different cultures and a principal component in traditional remedies. Toxic metanil yellow (MY), acid orange 7 (AO) and lead chromate (LCM) are deliberately added to adulterate turmeric powder. This work compares the ability of multivariate chemometric models with those of artificial intelligent networks to enhance the selectivity of spectral data for the rapid assay of these three adulterants in turmeric powder. Using a custom experimental design, we provide a data-driven optimization for the sensitive parameters of the partial least squares model (PLS), artificial neural network (ANN) and genetic algorithm (GA). The optimized models are validated using sets of genuine turmeric samples from five different geographical regions spiked with standard adulterant concentrations. The optimized GA-PLS and GA-ANN models reduce the root mean square error of prediction by 18.4%, 31.1% and 55.3% and 25.0%, 69.9% and 88.4% for MY, AO and LCM, respectively. This journal is © The Royal Society of Chemistry.Entities:
Year: 2022 PMID: 35424884 PMCID: PMC8985183 DOI: 10.1039/d2ra00697a
Source DB: PubMed Journal: RSC Adv ISSN: 2046-2069 Impact factor: 3.361
Fig. 1Zero-order absorption spectra of (A) 200 μg mL−1 turmeric extracts from different sources, (B) 10 μg mL−1 metanil yellow (—), 10 μg mL−1 acid orange 7 (- - -) and 10 μg mL−1 lead chromate (……).
Assay validation sheet of the chemometric models for the calibration and validation sets
| Parameters | Calibration set | Validation set | |||||
|---|---|---|---|---|---|---|---|
| Metanil yellow | Acid orange 7 | Lead chromate | Metanil yellow | Acid orange 7 | Lead chromate | ||
| PLS model | Concentration range (μg mL−1) | 2–10 | 8–16 | 20–40 | 2–10 | 8–16 | 20–40 |
| Mean | 100.09 | 100.51 | 100.05 | 99.00 | 100.03 | 99.36 | |
| % RSD | 1.892 | 1.984 | 1.794 | 2.120 | 2.097 | 1.756 | |
| Repeatability precision (±RSD) | ±1.903 | ±1.924 | ±1.536 | — | — | — | |
| Intermediate precision (±RSD) | ±1.917 | ±2.084 | ±1.969 | — | — | — | |
| RMSE | 0.101 | 0.224 | 0.592 | 0.057 | 0.166 | 0.377 | |
| Slope | 0.9996 | 0.9943 | 0.9920 | 1.0025 | 0.8327 | 0.9884 | |
| Intercept | −0.0019 | 0.1163 | 0.2327 | −0.0378 | 1.5232 | 0.1192 | |
|
| 0.9993 | 0.9970 | 0.9965 | 0.9987 | 0.9998 | 0.9900 | |
| Latent variables | 6 | ||||||
| GA-PLS model | Concentration range (μg mL−1) | 2–10 | 8–16 | 20–40 | 2–10 | 8–16 | 20–40 |
| Mean | 100.14 | 100.54 | 99.97 | 98.95 | 100.21 | 98.82 | |
| % RSD | 1.814 | 1.629 | 1.604 | 1.894 | 1.714 | 0.813 | |
| Repeatability precision ± RSD | ±1.799 | ±2.066 | ±1.122 | — | — | — | |
| Intermediate precision ± RSD | ±1.887 | ±2.082 | ±1.642 | — | — | — | |
| RMSE | 0.090 | 0.171 | 0.547 | 0.049 | 0.135 | 0.309 | |
| Slope | 0.9990 | 0.9865 | 0.9976 | 1.0123 | 0.8790 | 1.0020 | |
| Intercept | 0.0061 | 0.2099 | 0.0531 | −0.0663 | 1.1197 | −0.3112 | |
|
| 0.9995 | 0.9984 | 0.9969 | 0.9992 | 0.9972 | 0.9979 | |
| Latent variables | 6 | ||||||
| GA(DoE)-PLS model | Concentration range (μg mL−1) | 2–10 | 8–16 | 20–40 | 2–10 | 8–16 | 20–40 |
| Mean | 100.22 | 100.24 | 100.05 | 99.40 | 99.52 | 99.58 | |
| % RSD | 1.542 | 1.143 | 1.388 | 0.918 | 0.919 | 0.576 | |
| Repeatability precision (±% RSD) | ±1.540 | ±1.785 | ±1.398 | — | — | — | |
| Intermediate precision (±% RSD) | ±1.687 | ±1.859 | ±1.589 | — | — | — | |
| RMSE | 0.071 | 0.127 | 0.428 | 0.040 | 0.093 | 0.138 | |
| Slope | 1.0000 | 0.9968 | 0.9878 | 0.9856 | 0.9596 | 1.0166 | |
| Intercept | 0.0034 | 0.0624 | 0.3587 | 0.0256 | 0.3245 | −0.4702 | |
|
| 0.9997 | 0.9989 | 0.9982 | 0.9994 | 0.9972 | 0.9993 | |
| Latent variables | 5 | ||||||
| GA(DoE)-ANN model | Concentration range (μg mL−1) | 2–10 | 8–16 | 20–40 | 2–10 | 8–16 | 20–40 |
| Mean | 100.02 | 100.05 | 100.17 | 100.15 | 99.86 | 100.02 | |
| % RSD | 0.415 | 0.631 | 0.613 | 0.782 | 0.313 | 0.054 | |
| Repeatability precision ± RSD | ±0.564 | ±0.932 | ±0.584 | — | — | — | |
| Intermediate precision ± RSD | ±0.722 | ±1.167 | ±1.052 | — | — | — | |
| RMSE | 0.030 | 0.062 | 0.191 | 0.030 | 0.028 | 0.016 | |
| Slope | 1.0015 | 0.9974 | 1.0039 | 1.0113 | 0.9879 | 1.0019 | |
| Intercept | −0.0011 | 0.0400 | −0.0615 | −0.0226 | 0.1016 | −0.0343 | |
|
| 0.9999 | 0.9997 | 0.9997 | 0.9997 | 0.9997 | 1.0000 | |
| Latent variables | 5 | ||||||
Root mean square error of calibration.
Root mean square error of prediction.
Data of the straight line plotted between predicted versus actual concentrations.
Partial least square.
Genetic algorithm-partial least square.
Optimized genetic algorithm-partial least square.
Artificial neural network using optimized genetic-algorithm.
Fig. 2Root mean square error of calibration and validation sets for the three adulterants using the four chemometric models.
Fig. 3Plot of the mean square error (MSE) and the correlation coefficient (r) against the number of neurons in the architecture of GA(DoE)-ANN.
Determination of metanil yellow, acid orange 7 and lead chromate in spiked turmeric samples
| Models | Metanil yellow (recovery% ± RSD%) | Acid orange 7 (recovery% ± RSD%) | Lead chromate (recovery% ± RSD%) |
|---|---|---|---|
| Partial least square | 98.67 ± 1.876 | 100.07 ± 1.840 | 100.28 ± 1.650 |
| Genetic algorithm-partial least square | 99.00 ± 1.746 | 100.33 ± 1.685 | 99.65 ± 0.923 |
| Optimized genetic algorithm-partial least square | 99.42 ± 1.338 | 99.28 ± 0.976 | 100.05 ± 0.477 |
| Artificial neural network using optimized genetic algorithm | 99.75 ± 0.938 | 99.93 ± 0.577 | 99.97 ± 0.200 |
Average of three determinations.