Optimization of Ultrasonic-Assisted Extraction of Active Components and Antioxidant Activity from Polygala tenuifolia: A Comparative Study of the Response Surface Methodology and Least Squares Support Vector Machine
Abstract
:1. Introduction
2. Results
2.1. Single-Factor Experiments
2.1.1. Effect of Extraction Time
2.1.2. Effect of Extraction Temperature
2.1.3. Effect of Liquid–solid Ratio
2.1.4. Effect of Ethanol Concentration
2.2. BBD Method Optimization of Extraction Conditions
2.3. Model Fitting
2.3.1. RSM Modeling
0.095X1X4 − 0.055X2X3 − 0.22 X2X4 + 0.058X3X4- 0.33X12 − 0.32X22− 0.13X32 − 0.86X42
2.3.2. LS-SVM Modeling
2.4. Validation Experiment and Comparison between RSM and LSSVM
2.5. HPLC Analysis of DISS and PolyIII
3. Discussion
4. Materials and Methods
4.1. Materials
4.2. Experimental Design
4.2.1. Single-Factor Experiment
4.2.2. Variables Selection and Weight Design of Multi-Component Indexes
4.2.3. Box-Behnken Design (BBD) for Extraction Optimization
4.2.4. Least Squares Support Vector Machine for Extraction
4.3. Ultrasound-Assisted Extraction
4.4. Determination of Antioxidant Activity
4.5. HPLC Analysis
5. Conclusions
Author Contributions
Funding
Informed Consent Statement
Data Availability Statement
Conflicts of Interest
References
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Factor | Symbols | Level | ||
---|---|---|---|---|
−1 | 0 | +1 | ||
Extraction time, min | X1 | 60 | 90 | 120 |
Extraction temperature, °C | X2 | 40 | 50 | 60 |
Liquid–solid ratio, mL/g | X3 | 8 | 10 | 12 |
Ethanol concentration, % | X4 | 55 | 70 | 85 |
Std | X1 | X2 | X3 | X4 | PolyIII (mg/g) | DISS (mg/g) | Y (Synthesis Score) |
---|---|---|---|---|---|---|---|
1 | −1 | −1 | 0 | 0 | 1.4456 | 15.5484 | 12.0227 |
2 | 1 | −1 | 0 | 0 | 1.5295 | 16.1695 | 12.5095 |
3 | −1 | 1 | 0 | 0 | 1.4981 | 15.9899 | 12.3670 |
4 | 1 | 1 | 0 | 0 | 1.5736 | 16.1695 | 12.5205 |
5 | 0 | 0 | −1 | −1 | 1.4016 | 15.9492 | 12.3123 |
6 | 0 | 0 | 1 | −1 | 1.5044 | 15.9561 | 12.3432 |
7 | 0 | 0 | −1 | 1 | 1.4409 | 14.9479 | 11.5711 |
8 | 0 | 0 | 1 | 1 | 1.5486 | 15.2625 | 11.8340 |
9 | −1 | 0 | 0 | −1 | 1.3442 | 15.2710 | 11.7893 |
10 | 1 | 0 | 0 | −1 | 1.4611 | 15.9812 | 12.3512 |
11 | −1 | 0 | 0 | 1 | 1.3649 | 14.7946 | 11.4372 |
12 | 1 | 0 | 0 | 1 | 1.5000 | 14.9916 | 11.6187 |
13 | 0 | −1 | −1 | 0 | 1.4956 | 15.9583 | 12.3426 |
14 | 0 | 1 | −1 | 0 | 1.5200 | 16.1822 | 12.5166 |
15 | 0 | −1 | 1 | 0 | 1.5716 | 16.3750 | 12.6741 |
16 | 0 | 1 | 1 | 0 | 1.6158 | 16.2980 | 12.6275 |
17 | −1 | 0 | −1 | 0 | 1.3782 | 15.9690 | 12.3213 |
18 | 1 | 0 | −1 | 0 | 1.3829 | 16.2697 | 12.5480 |
19 | −1 | 0 | 1 | 0 | 1.4019 | 16.2483 | 12.5367 |
20 | 1 | 0 | 1 | 0 | 1.5831 | 16.7280 | 12.9418 |
21 | 0 | −1 | 0 | −1 | 1.4724 | 15.3066 | 11.8481 |
22 | 0 | 1 | 0 | −1 | 1.5987 | 15.9826 | 12.3866 |
23 | 0 | −1 | 0 | 1 | 1.5282 | 15.2000 | 11.7821 |
24 | 0 | 1 | 0 | 1 | 1.5159 | 14.7230 | 11.4212 |
25 | 0 | 0 | 0 | 0 | 1.6715 | 16.6493 | 12.9048 |
26 | 0 | 0 | 0 | 0 | 1.7005 | 16.7102 | 12.9578 |
27 | 0 | 0 | 0 | 0 | 1.6571 | 16.9221 | 13.1058 |
28 | 0 | 0 | 0 | 0 | 1.6694 | 16.8204 | 13.0327 |
29 | 0 | 0 | 0 | 0 | 1.6842 | 16.8039 | 13.0240 |
30 | 0 | 0 | 0 | 0 | 1.7018 | 16.8183 | 13.0392 |
Source of Variation | Sum of Squares | Variance | Mean Square | F | p | Significance |
---|---|---|---|---|---|---|
Model | 7.3700 | 14 | 0.5264 | 121.9277 | < 0.0001 | *** |
X1 | 0.3385 | 1 | 0.3385 | 78.4086 | < 0.0001 | *** |
X2 | 0.0363 | 1 | 0.0363 | 8.4172 | 0.011 | * |
X3 | 0.1508 | 1 | 0.1508 | 34.9318 | < 0.0001 | *** |
X4 | 0.9443 | 1 | 0.9443 | 218.7243 | < 0.0001 | *** |
X1X2 | 0.0278 | 1 | 0.0278 | 6.4295 | 0.0228 | * |
X1X3 | 0.0080 | 1 | 0.0080 | 1.8423 | 0.1947 | |
X1X4 | 0.0362 | 1 | 0.0362 | 8.3790 | 0.0111 | * |
X2X3 | 0.0122 | 1 | 0.0122 | 2.8221 | 0.1137 | |
X2X4 | 0.2022 | 1 | 0.2022 | 46.8362 | < 0.0001 | *** |
X3X4 | 0.0135 | 1 | 0.0135 | 3.1175 | 0.0978 | |
X12 | 0.7355 | 1 | 0.7355 | 170.3606 | < 0.0001 | *** |
X22 | 0.7052 | 1 | 0.7052 | 163.3234 | < 0.0001 | *** |
X32 | 0.1103 | 1 | 0.1103 | 25.5470 | 0.0001 | ** |
X42 | 5.0848 | 1 | 5.0848 | 1177.7096 | < 0.0001 | *** |
Residual | 0.0648 | 15 | 0.0043 | |||
Lack of fit | 0.0402 | 10 | 0.0040 | 0.8199 | 0.6322 | |
R2 | 0.9913 | |||||
Adjusted R2 | 0.9832 | |||||
Predicted R2 | 0.9641 |
Group | Predicted Value | Group | Predicted Value | Group | Predicted Value |
---|---|---|---|---|---|
1 | 12.0440 | 11 | 11.8291 | 21 | 12.4576 |
2 | 12.3464 | 12 | 12.1121 | 22 | 12.5146 |
3 | 12.1006 | 13 | 12.0862 | 23 | 11.9325 |
4 | 12.4031 | 14 | 12.1429 | 24 | 11.9895 |
5 | 12.3770 | 15 | 12.3042 | 25 | 12.2235 |
6 | 12.6092 | 16 | 12.3609 | ||
7 | 11.8379 | 17 | 11.9634 | ||
8 | 12.0701 | 18 | 12.2814 | ||
9 | 12.3350 | 19 | 12.1657 | ||
10 | 12.6180 | 20 | 12.4837 |
Runs | PolyIII (mg/g) | DISS (mg/g) | Y | Mean ± SD | Predicted Value | Relative Deviation (%) | |
---|---|---|---|---|---|---|---|
RSM | 1 | 1.7148 | 16.6133 | 12.8887 | 12.8402 ± 0.0963 | 13.0870 | 1.89 |
2 | 1.7233 | 16.6408 | 12.9114 | ||||
3 | 1.6977 | 16.5620 | 12.8459 | ||||
4 | 1.7058 | 16.6342 | 12.9021 | ||||
5 | 1.6924 | 16.3064 | 12.6529 | ||||
LS-SVM | 1 | 1.6963 | 16.7761 | 13.0062 | 13.0045 ± 0.0405 | 13.0217 | 0.13 |
2 | 1.6883 | 16.6806 | 12.9325 | ||||
3 | 1.7103 | 16.8408 | 13.0582 | ||||
4 | 1.7132 | 16.7804 | 13.0136 | ||||
5 | 1.7005 | 16.7825 | 13.0120 |
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Li, X.; Chen, S.; Zhang, J.; Yu, L.; Chen, W.; Zhang, Y. Optimization of Ultrasonic-Assisted Extraction of Active Components and Antioxidant Activity from Polygala tenuifolia: A Comparative Study of the Response Surface Methodology and Least Squares Support Vector Machine. Molecules 2022, 27, 3069. https://0-doi-org.brum.beds.ac.uk/10.3390/molecules27103069
Li X, Chen S, Zhang J, Yu L, Chen W, Zhang Y. Optimization of Ultrasonic-Assisted Extraction of Active Components and Antioxidant Activity from Polygala tenuifolia: A Comparative Study of the Response Surface Methodology and Least Squares Support Vector Machine. Molecules. 2022; 27(10):3069. https://0-doi-org.brum.beds.ac.uk/10.3390/molecules27103069
Chicago/Turabian StyleLi, Xuran, Simiao Chen, Jinghui Zhang, Li Yu, Weiyan Chen, and Yuyan Zhang. 2022. "Optimization of Ultrasonic-Assisted Extraction of Active Components and Antioxidant Activity from Polygala tenuifolia: A Comparative Study of the Response Surface Methodology and Least Squares Support Vector Machine" Molecules 27, no. 10: 3069. https://0-doi-org.brum.beds.ac.uk/10.3390/molecules27103069