Rapid screening of the stability of polyacrylamide-based hydrogel coatings via droplet microarray analysis and interpretable machine learning

IF 7.5 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY
Jingzhi Yang, Yami Ran, Yuting Jin, Annan Kong, Mingyue Zhang, Lingwei Ma, Dawei Zhang
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Abstract

The unsatisfactory stability of hydrogel coatings hinders their functional and service performance. Until now, the development of high-performance hydrogel coatings largely relies on the intuition and prior experience of researchers. Machine learning, as a powerful engine for material design, was demonstrated to accelerate the development of hydrogels with desired properties. However, the scarcity of labeled data of the target property is a fundamental challenge. Herein, we develop a miniaturized high-throughput evaluation method of hydrogel coatings. This method achieved a rapid and parallel investigation of the stability of a large number of unique acrylamide-based hydrogel coatings. Moreover, a list of main feature descriptors was screened and their quantitative contributions to coating stability were analyzed via interpretable machine learning technology. A new ternary hydrogel coating was prepared to validate the accuracy of the machine learning strategy. This advanced methodology facilitated the rational design of high-performance hydrogel coatings.
通过液滴微阵列分析和可解释机器学习快速筛选聚丙烯酰胺基水凝胶涂层的稳定性
水凝胶涂料的稳定性不理想,影响了其功能和使用性能。到目前为止,高性能水凝胶涂层的开发在很大程度上依赖于研究人员的直觉和先前的经验。机器学习作为材料设计的强大引擎,被证明可以加速具有所需性能的水凝胶的开发。然而,目标属性的标记数据的稀缺性是一个根本性的挑战。在此,我们开发了一种小型化的高通量水凝胶涂层评价方法。该方法实现了对大量独特的丙烯酰胺基水凝胶涂层稳定性的快速并行研究。此外,筛选了主要特征描述符列表,并通过可解释的机器学习技术分析了它们对涂层稳定性的定量贡献。制备了一种新的三元水凝胶涂层,以验证机器学习策略的准确性。这种先进的方法促进了高性能水凝胶涂层的合理设计。
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来源期刊
npj Materials Degradation
npj Materials Degradation MATERIALS SCIENCE, MULTIDISCIPLINARY-
CiteScore
7.80
自引率
7.80%
发文量
86
审稿时长
6 weeks
期刊介绍: npj Materials Degradation considers basic and applied research that explores all aspects of the degradation of metallic and non-metallic materials. The journal broadly defines ‘materials degradation’ as a reduction in the ability of a material to perform its task in-service as a result of environmental exposure. The journal covers a broad range of topics including but not limited to: -Degradation of metals, glasses, minerals, polymers, ceramics, cements and composites in natural and engineered environments, as a result of various stimuli -Computational and experimental studies of degradation mechanisms and kinetics -Characterization of degradation by traditional and emerging techniques -New approaches and technologies for enhancing resistance to degradation -Inspection and monitoring techniques for materials in-service, such as sensing technologies
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