Surface Reaction and Advanced Energy Materials Laboratory, Chemical Engineering Department, Amirkabir University of Technology (Tehran Polytechnic), Tehran, Iran.
Chemical Engineering Department, Amirkabir University of Technology (Tehran Polytechnic), Mahshahr Campus, Mahshahr, Iran.
Sci Rep. 2022 Apr 22;12(1):6615. doi: 10.1038/s41598-022-10563-8.
Tetracyclines (TCs) have been extensively used for humans and animal diseases treatment and livestock growth promotion. The consumption of such antibiotics has been ever-growing nowadays due to various bacterial infections and other pathologic conditions, resulting in more discharge into the aquatic environments. This brings threats to ecosystems and human bodies. Up to now, several attempts have been made to reduce TC amounts in the wastewater, among which photocatalysis, an advanced oxidation process, is known as an eco-friendly and efficient technology. In this regard, metal organic frameworks (MOFs) have been known as the promising materials as photocatalysts. Thus, studying TC photocatalytic degradation by MOFs would help scientists and engineers optimize the process in terms of effective parameters. Nevertheless, the costly and time-consuming experimental methods, having instrumental errors, encouraged the authors to use the computational method for a more comprehensive assessment. In doing so, a wide-ranging databank including 374 experimental data points was gathered from the literature. A powerful machine learning method of Gaussian process regression (GPR) model with four kernel functions was proposed to estimate the TC degradation in terms of MOFs features (surface area and pore volume) and operational parameters (illumination time, catalyst dosage, TC concentration, pH). The GPR models performed quite well, among which GPR-Matern model shows the most accurate performance with R, MRE, MSE, RMSE, and STD of 0.981, 12.29, 18.03, 4.25, and 3.33, respectively. In addition, an analysis of sensitivity was carried out to assess the effect of the inputs on the TC photodegradation by MOFs. It revealed that the illumination time and the surface area play a significant role in the decomposition activity.
四环素(TCs)被广泛用于人类和动物疾病的治疗以及牲畜的生长促进。由于各种细菌感染和其他病理状况,如今抗生素的使用量不断增加,导致更多的抗生素排放到水生态环境中。这对生态系统和人体健康构成了威胁。迄今为止,已经有几种尝试来减少废水中的 TC 含量,其中光催化作为一种高级氧化技术,被认为是一种环保且高效的技术。在这方面,金属有机骨架(MOFs)已被证明是一种很有前途的光催化剂材料。因此,研究 MOFs 对 TC 的光催化降解有助于科学家和工程师优化该过程的有效参数。然而,昂贵且耗时的实验方法存在仪器误差,这促使作者使用计算方法进行更全面的评估。在这样做的过程中,从文献中收集了包括 374 个实验数据点的广泛数据库。提出了一种具有四种核函数的高斯过程回归(GPR)模型的强大机器学习方法,用于根据 MOFs 的特征(比表面积和孔体积)和操作参数(光照时间、催化剂用量、TC 浓度、pH 值)来估计 TC 的降解。GPR 模型表现相当出色,其中 GPR-Matern 模型的性能最为准确,其 R、MRE、MSE、RMSE 和 STD 分别为 0.981、12.29、18.03、4.25 和 3.33。此外,还进行了敏感性分析,以评估输入对 MOFs 中 TC 光降解的影响。结果表明,光照时间和比表面积对分解活性有重要影响。