College of Sciences &Institute for Sustainable Energy, Shanghai University, Shanghai, 200444, PR China.
School of Life Sciences, Shanghai University, 333 Nanchen Road, Shanghai, China.
Biosens Bioelectron. 2022 Jun 1;205:114097. doi: 10.1016/j.bios.2022.114097. Epub 2022 Feb 21.
Machine learning algorithms as a powerful tool can efficiently utilize and process large quantities of data generated by high-throughput experiments in various fields. In this work, we used a general ionic salt-assisted synthesis method to prepare oxidase-like Fe-N-C SANs. The possible reason for the excellent enzyme-mimicking activity and affinity of Fe-N-C SANs was further verified by density functional theory calculations. Due to the remarkable oxidase-mimicking activity, the prepared Fe-N-C SANs were used to detect ascorbic acid (AA) with a detection limit of 0.5 μM. Based on the machine learning algorithms, we successfully distinguished six antioxidants (ascorbic acid, glutathione, L-cysteine, dithiothreitol, uric acid, and dopamine) with the same concentration by either one kind of Fe-N-C SANs or three kinds of different Fe-N-C SANs. The usefulness of the Fe-N-C SANs sensor arrays was further validated by the hierarchal cluster analysis, where they also can be correctly identified. More importantly, a SANs-based digital-image colorimetric sensor array has also been successfully constructed and thereby achieved visual and informative colorimetric analysis for practical samples out of the lab. This work not only provides a design synthesis method to prepare SANs but also combines machine learning algorithms with SANs sensors to identify analytes with similar properties, which can further expand to the detection of proteins and cells related to diseases in the future.
机器学习算法作为一种强大的工具,可以有效地利用和处理各个领域高通量实验产生的大量数据。在这项工作中,我们使用了一种通用的离子盐辅助合成方法来制备氧化酶样的 Fe-N-C SANs。通过密度泛函理论计算进一步验证了 Fe-N-C SANs 具有优异的酶模拟活性和亲和力的可能原因。由于具有显著的氧化酶模拟活性,所制备的 Fe-N-C SANs 被用于检测抗坏血酸 (AA),检测限为 0.5 μM。基于机器学习算法,我们成功地通过一种或三种不同的 Fe-N-C SANs 区分了六种具有相同浓度的抗氧化剂(抗坏血酸、谷胱甘肽、L-半胱氨酸、二硫苏糖醇、尿酸和多巴胺)。通过层次聚类分析进一步验证了 Fe-N-C SANs 传感器阵列的有用性,它们也可以被正确识别。更重要的是,还成功构建了基于 SANs 的数字图像比色传感器阵列,从而实现了实际样品的可视化和信息丰富的比色分析,而无需在实验室之外进行。这项工作不仅提供了一种设计合成方法来制备 SANs,还将机器学习算法与 SANs 传感器结合起来,用于识别具有相似性质的分析物,这在未来可以进一步扩展到与疾病相关的蛋白质和细胞的检测。