This research emphasizes a new modeling approach by Box Behnken Design in Response Surface Methodology (RSM) for the optimization of chalcones yield based to the elaborated nanomaterials. Palladium nanoparticles (PdNPs) supported on prepared mesoporous TiO₂ (Titania) are used as an ecological alternative and a new heterogeneous catalyst for the preparation and optimization of chalcones via Claisen-Schmidt Condensation (CSC). The yield of the chalcone reactions was mathematically described as a function of three parameters: PdNPs concentration, temperature and time reaction. Based on a statistical modeling and optimization process, the optimal conditions were mainly reached at the following levels: a PdNPs concentration of 0.1 wt% with a reaction temperature of 65 °C and 40 min of time. This configuration allowed reaching 99% of chalcone yield. Indeed, the results of chalcone reactions of different aromatic aldehydes in the same optimal conditions show that 0.1 wt%Pd/TiO₂ catalyst is found to be highly active. Overall, the value of the adjusted coefficient of determination (R²) equal to 0.9961 indicated that the considered model was quite suitable and that the selected methodology was very efficient throughout the optimizing process. The catalyst recycle analysis shows that the PdNPs supported on Titania can be reused four consecutive times without a decrease in catalytic activity. As a general statement, this study has developed a convenient procedure for the preparation of chalcone compound in a short period of time. Moreover, the proposed approach can be served as a model in the context of green chemistry.

这项研究强调了 Box Behnken Design 在响应表面方法学 (RSM) 中的一种新建模方法，用于优化基于精细纳米材料的查耳酮产量。负载在制备的介孔 TiO ₂上的钯纳米粒子 (PdNPs)（二氧化钛）被用作生态替代品和新的多相催化剂，用于通过克莱森 - 施密特缩合（CSC）制备和优化查耳酮。查耳酮反应的产率在数学上被描述为三个参数的函数：PdNPs 浓度、温度和反应时间。基于统计建模和优化过程，最佳条件主要达到以下水平：PdNPs 浓度为 0.1 wt%，反应温度为 65°C，时间为 40 分钟。这种配置允许达到查耳酮产率的 99%。事实上，不同芳香醛在相同最佳条件下的查耳酮反应结果表明，0.1 wt% Pd/TiO ₂发现催化剂具有高活性。总体而言，调整后的决定系数 (R ² ) 的值等于 0.9961 表明所考虑的模型非常合适，并且所选的方法在整个优化过程中非常有效。催化剂回收分析表明，负载在二氧化钛上的 PdNPs 可以连续重复使用四次，而催化活性没有降低。作为一般性陈述，本研究开发了一种在短时间内制备查耳酮化合物的简便方法。此外，所提出的方法可以作为绿色化学背景下的模型。