Thakur Abhimanyu, Santos Bezerra Pedro Correia, Zeng Shihao, Zhang Kui, Treptow Werner, Luna Alexander, Dougherty Urszula, Kwesi Akushika, Huang Isabella R, Bestvina Christine, Garassino Marina Chiara, Duan Fuyu, Gokhale Yash, Duan Bin, Chen Yin, Lian Qizhou, Bissonnette Marc, Huang Jianpan, Chen Huanhuan Joyce
Pritzker School of Molecular Engineering, University of Chicago, Illinois, USA.
Ben May Department for Cancer Research, University of Chicago, Illinois, USA.
Bioact Mater. 2025 May 21;51:414-430. doi: 10.1016/j.bioactmat.2025.03.023. eCollection 2025 Sep.
Synthetic and naturally occurring particles, such as nanoparticles (NPs) and exosomes; a type of extracellular vesicles (EVs), have garnered widespread attention across various fields, including biomaterials, oncology, and delivery systems for drugs and vaccines. Traditional methods for identifying NPs and EVs, such as transmission electron microscopy, are often prohibitively expensive and labor-intensive. As an alternative, the assessment of electrokinetic attributes such as zeta potential or electrophoretic mobility, conductance, and mean count rate, offers a more cost-effective, rapid, and reliable means of characterizing these particles. In this context, we introduce the first application of a quantum machine learning (QML)-based electrokinetic mining for the identification of green-synthesized iron- and cobalt-based NPs, as well as exosomes derived from human embryonic stem cells (hESC), human lung cancer (A549) cells, and colorectal cancer (CRC) cells, based solely on their electrokinetic attributes. Comparative analyses involving cross-validation, train-test splits, confusion matrices, and Receiver Operating Characteristic (ROC) curves revealed that classical ML techniques could accurately identify the types of NPs and EVs. Notably, QML demonstrated proficiency in differentiating between various NPs and EVs, including the distinction of EVs in the plasma of CRC patients versus those of healthy individuals. Furthermore, QML's application has been extended to the identification of NPs along with EVs in the plasma of CRC patients and experimental mice, achieving higher prediction performance even with a minimal training dataset, demonstrating that QML based electrokinetic mining could identify NPs or EVs with minimal training data, thereby facilitating novel clinical development in the realm of liquid biopsies.
合成颗粒和天然存在的颗粒,如纳米颗粒(NPs)和外泌体(一种细胞外囊泡(EVs)),在生物材料、肿瘤学以及药物和疫苗递送系统等各个领域都受到了广泛关注。传统的鉴定NPs和EVs的方法,如透射电子显微镜,通常成本过高且 labor-intensive。作为一种替代方法,对电动属性(如zeta电位或电泳迁移率、电导率和平均计数率)的评估提供了一种更具成本效益、快速且可靠的表征这些颗粒的方法。在此背景下,我们首次介绍了基于量子机器学习(QML)的电动挖掘技术在鉴定绿色合成的铁基和钴基NPs以及源自人类胚胎干细胞(hESC)、人肺癌(A549)细胞和结直肠癌(CRC)细胞的外泌体中的应用,这仅仅基于它们的电动属性。涉及交叉验证、训练-测试分割、混淆矩阵和受试者工作特征(ROC)曲线的比较分析表明,经典机器学习技术可以准确识别NPs和EVs的类型。值得注意的是,QML在区分各种NPs和EVs方面表现出色,包括区分CRC患者血浆中的EVs与健康个体的EVs。此外,QML的应用已扩展到鉴定CRC患者和实验小鼠血浆中的NPs以及EVs,即使在训练数据集最小的情况下也能实现更高的预测性能,这表明基于QML的电动挖掘技术可以用最少的训练数据识别NPs或EVs,从而促进液体活检领域的新型临床开发。
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