Minimum Spanning Tree-Based Clustering for Chemical Evaluation of Commercial Nail Polish Samples Using Spectroanalytical Data

Author(s)

Castello, Heloisa Froehlick ; Silva, Felipe Lopes Rodrigues ; Ferreira, Dennis Silva ; Levada, Alexandre Luis Magalhaes ; Pereira-Filho, Edenir Rodrigues ; Pereira, Fabiola Manhas Verbi

• Document type: Journal article
• Source: JOURNAL OF CHEMOMETRICS; v. 38, n. 9, p. 11-pg., 2024-06-23.

Abstract

This study discusses potential toxic elements detection in conventional nail polish, including Cr and Pb. The noteworthy results highlight well-established potential risks of elevated Cr and Pb concentrations. These elements are not allowed in the European Union. Implementing the minimum spanning tree (MST) approach and the isolation forest algorithm effectively clustered samples. Forty-five samples were analyzed, and four clusters were identified. Two presented six samples with high concentrations of Fe (Cluster 1 with four samples) and Cr and Pb (Cluster 2 with two samples). The other 39 samples presented low concentrations of the determined elements (Co, Cr, Cu, Fe, Ni, and Pb). Cadmium, Zn, and Mn were not detected in any of the analyzed samples. Furthermore, integrating energy-dispersive x-ray fluorescence (ED-XRF) and laser-induced breakdown spectroscopy (LIBS) enabled fast direct analysis of nail polish samples, streamlining a swift and reliable data acquisition process. This research underscores the importance of ongoing vigilance and monitoring of potential health hazards associated with nail polish formulations, especially in regions with regulatory restrictions on certain elements. The study examined toxic elements in nail polish, particularly Cr and Pb, which are banned in the EU. Using MST and isolation forest algorithms, 45 samples were analyzed, revealing four clusters: one with high Fe concentrations and another with high Cr and Pb. The remaining samples had low concentrations of Co, Cr, Cu, Fe, Ni, and Pb. Cd, Zn, and Mn were undetected. ED-XRF and LIBS facilitated rapid analysis. The research emphasizes monitoring health hazards in nail polish formulations. (AU)

• FAPESP's process: 19/01102-8 - Multi-user equipament approved in grant 2018/18212-8: X-Ray Fluorescence spectrometer
• Grantee: Fabiola Manhas Verbi Pereira
• Support Opportunities: Multi-user Equipment Program
• FAPESP's process: 21/10882-7 - Non-conventional food plants (PANC): accessible, functional, and sustainable nutritional source
• Grantee: Fabiola Manhas Verbi Pereira
• Support Opportunities: Regular Research Grants
• FAPESP's process: 14/50945-4 - INCT 2014: National Institute for Alternative Technologies of Detection, Toxicological Evaluation and Removal of Micropollutants and Radioactivies
• Grantee: Maria Valnice Boldrin
• Support Opportunities: Research Projects - Thematic Grants