机器学习辅助生物质衍生碳点荧光传感器阵列用于华法林及其代谢物的鉴别

IF 4.4 2区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Langmuir Pub Date : 2025-01-11 DOI:10.1021/acs.langmuir.4c03945
Jiajun Li, Sihui Wu, Xueran Shi, Yingbo Cao, Han Hao, Jing Wang, Qian Han
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摘要

华法林(Warfarin, WAR)是一种有效的口服抗凝剂,在治疗多种疾病中具有重要意义。尽管具有重要意义,但快速准确地识别WAR仍然是一个艰巨的挑战,特别是面对其代谢产物的结构类似物。本文采用快速、简便的微波辅助方法,绿色合成了三种植物源n掺杂碳点(NCDs)。三种非传染性疾病显示出良好的蓝色荧光特性和对WAR及其代谢物的识别能力。为了提高鉴定WAR及其代谢物的准确性,我们精心设计了一个由三种独特的草药衍生NCDs组成的传感器阵列。结合机器学习模型,即使在未知样本中,传感器阵列对WAR的识别也表现出较强的抗干扰能力。同时,对FL传感机理进行了深入的阐述。该方法为生物质衍生纳米材料提供了广阔的前景,并通过利用机器学习为药物分析提供了一个有效和可行的项目。
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Machine Learning-Assisted Biomass-Derived Carbon Dots as Fluorescent Sensor Array for Discrimination of Warfarin and Its Metabolites
Warfarin (WAR), an effective oral anticoagulant, is of utmost importance in treating many diseases. Despite its significance, rapid and precise discrimination of WAR remains a formidable challenge, especially facing its structural analogs of metabolites. Here, three kinds of herb-derived N-doped carbon dots (NCDs) were greenly synthesized via a fast and simple microwave-assisted method. Three NCDs showcased respectable blue fluorescent (FL) properties and sensing capabilities for the discrimination of WAR and its metabolites. To improve accuracy in identifying WAR and its metabolites, a sensor array composed of three unique herb-derived NCDs was meticulously designed. Combined with the machine learning model, the sensor array displayed a strong immunity to interference in the discrimination of the WAR, even in unknown samples. Meanwhile, the FL sensing mechanism is deeply expounded. The methodology proffers broad prospects for biomass-derived nanomaterials and provides an effective and feasible project for pharmaceutical analysis by capitalizing on machine learning.
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来源期刊
Langmuir
Langmuir 化学-材料科学:综合
CiteScore
6.50
自引率
10.30%
发文量
1464
审稿时长
2.1 months
期刊介绍: Langmuir is an interdisciplinary journal publishing articles in the following subject categories: Colloids: surfactants and self-assembly, dispersions, emulsions, foams Interfaces: adsorption, reactions, films, forces Biological Interfaces: biocolloids, biomolecular and biomimetic materials Materials: nano- and mesostructured materials, polymers, gels, liquid crystals Electrochemistry: interfacial charge transfer, charge transport, electrocatalysis, electrokinetic phenomena, bioelectrochemistry Devices and Applications: sensors, fluidics, patterning, catalysis, photonic crystals However, when high-impact, original work is submitted that does not fit within the above categories, decisions to accept or decline such papers will be based on one criteria: What Would Irving Do? Langmuir ranks #2 in citations out of 136 journals in the category of Physical Chemistry with 113,157 total citations. The journal received an Impact Factor of 4.384*. This journal is also indexed in the categories of Materials Science (ranked #1) and Multidisciplinary Chemistry (ranked #5).
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