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基于二硼酸盐的荧光传感器阵列用于快速鉴别金银花和山银花。

A Diboronic Acid-Based Fluorescent Sensor Array for Rapid Identification of Lonicerae Japonicae Flos and Lonicerae Flos.

机构信息

School of Pharmacy, Hubei University of Science and Technology, Xianning 437100, China.

Xianning Public Inspection and Testing Center, Xianning 437100, China.

出版信息

Molecules. 2024 Sep 14;29(18):4374. doi: 10.3390/molecules29184374.

Abstract

Lonicerae japonicae flos (LJF) and Lonicerae flos (LF) are traditional Chinese herbs that are commonly used and widely known for their medicinal properties and edibility. Although they may have a similar appearance and vary slightly in chemical composition, their effectiveness as medicine and their use in clinical settings vary significantly, making them unsuitable for substitution. In this study, a novel 2 × 3 six-channel fluorescent sensor array is proposed that uses machine learning algorithms in combination with the indicator displacement assay (IDA) method to quickly identify LJF and LF. This array comprises two coumarin-based fluorescent indicators (ES and MS) and three diboronic acid-substituted 4,4'-bipyridinium cation quenchers (Q1-Q3), forming six dynamic complexes (C1-C6). When these complexes react with the ortho-dihydroxy groups of phenolic acid compounds in LJF and LF, they release different fluorescent indicators, which in turn causes distinct fluorescence recovery. By optimizing eight machine learning algorithms, the model achieved 100% and 98.21% accuracy rates in the testing set and the cross-validation predictions, respectively, in distinguishing between LJF and LF using Linear Discriminant Analysis (LDA). The integration of machine learning with this fluorescent sensor array shows great potential in analyzing and detecting foods and pharmaceuticals that contain polyphenols.

摘要

金银花(LJF)和金银花(LF)是中国传统草药,以其药用特性和可食用性而被广泛使用和熟知。虽然它们可能外观相似,化学成分略有不同,但它们作为药物的功效和在临床中的应用却有很大的不同,因此不适合替代。在这项研究中,提出了一种新颖的 2×3 六通道荧光传感器阵列,该阵列使用机器学习算法结合指示剂置换分析(IDA)方法,可快速识别金银花和山银花。该阵列由两个香豆素基荧光指示剂(ES 和 MS)和三个二硼取代的 4,4'-联吡啶阳离子淬灭剂(Q1-Q3)组成,形成六个动态配合物(C1-C6)。当这些配合物与金银花和山银花中酚酸类化合物的邻二羟基反应时,会释放出不同的荧光指示剂,从而导致明显的荧光恢复。通过优化八个机器学习算法,线性判别分析(LDA)模型在测试集和交叉验证预测中分别实现了 100%和 98.21%的准确率,用于区分金银花和山银花。机器学习与这种荧光传感器阵列的结合在分析和检测含有多酚的食品和药物方面显示出巨大的潜力。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b5bc/11433768/3471c40970da/molecules-29-04374-g001.jpg

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