CMMSE: a comparison of model fitting using different response surface designs for optimizing microwave-assisted simultaneous distillation and extraction in Khlu herbal tea essential oil production

IF 1.7 3区化学 Q3 CHEMISTRY, MULTIDISCIPLINARY

Journal of Mathematical Chemistry Pub Date : 2024-11-06 DOI:10.1007/s10910-024-01691-9

Suganya Phantu, Panawan Suttiarporn

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引用次数: 0

Abstract

The parameter optimization for microwave-assisted simultaneous distillation and extraction (MA-SDE) was performed using Response Surface Methodology (RSM) to enhance the yield of essential oil from Pluchea indica (Khlu in Thai) leaf tea. Two design approaches, Box-Behnken Design (BBD) and Face Central Composite Design (FCCD), were compared for their effectiveness in modeling and optimizing the MA-SDE process. A quadratic polynomial model was identified as optimal for essential oil extraction through correlation analysis of the mathematical regression models. The response model is supported by the high degree of agreement between predicted and actual responses observed in both models, with a residual standard error (RSE) of less than 5%. The regression quadratic MA-SDE models developed showed R² values of 0.832 for FCCD and 0.951 for BBD, with the BBD model demonstrating superior performance due to its higher R² value. Additionally, BBD required significantly fewer experiments, making it more efficient in terms of resource and time utilization than FCCD. As a result, BBD is recommended as the preferred approach for optimizing essential oil extraction from Pluchea indica leaf tea using MA-SDE.

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CMMSE：不同响应面设计的模型拟合比较，以优化Khlu凉茶精油的微波辅助同时蒸馏和提取

采用响应面法（RSM）对微波辅助同步蒸馏提取（MA-SDE）工艺参数进行优化，以提高茶叶精油的得率。对比了Box-Behnken设计（BBD）和Face Central Composite design （FCCD）两种设计方法在MA-SDE过程建模和优化中的有效性。通过数学回归模型的相关分析，确定了二次多项式模型为精油提取的最佳模型。两种模型观测到的预测响应与实际响应高度吻合，残差标准误差（RSE）小于5%，支持响应模型。建立的二次回归MA-SDE模型显示，FCCD模型的R²值为0.832，BBD模型的R²值为0.951，其中BBD模型的R²值较高，表现出较好的性能。此外，BBD所需的实验数量明显减少，在资源和时间利用方面比FCCD更有效。因此，推荐BBD作为优选的方法，优选优选MA-SDE法提取印度李叶茶精油。

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来源期刊

Journal of Mathematical Chemistry 化学-化学综合

CiteScore

3.70

自引率

17.60%

发文量

105

审稿时长

6 months

期刊介绍： The Journal of Mathematical Chemistry (JOMC) publishes original, chemically important mathematical results which use non-routine mathematical methodologies often unfamiliar to the usual audience of mainstream experimental and theoretical chemistry journals. Furthermore JOMC publishes papers on novel applications of more familiar mathematical techniques and analyses of chemical problems which indicate the need for new mathematical approaches. Mathematical chemistry is a truly interdisciplinary subject, a field of rapidly growing importance. As chemistry becomes more and more amenable to mathematically rigorous study, it is likely that chemistry will also become an alert and demanding consumer of new mathematical results. The level of complexity of chemical problems is often very high, and modeling molecular behaviour and chemical reactions does require new mathematical approaches. Chemistry is witnessing an important shift in emphasis: simplistic models are no longer satisfactory, and more detailed mathematical understanding of complex chemical properties and phenomena are required. From theoretical chemistry and quantum chemistry to applied fields such as molecular modeling, drug design, molecular engineering, and the development of supramolecular structures, mathematical chemistry is an important discipline providing both explanations and predictions. JOMC has an important role in advancing chemistry to an era of detailed understanding of molecules and reactions.