Bayesian optimization of the conditions for highly sensitive detection of surface contamination by laser-induced breakdown spectroscopy

Literature Information

Publication Date 2023-09-21
DOI 10.1039/D3JA00195D
Impact Factor 4.023
Authors

Tadatake Sato, Kenichi Tashiro, Yoshizo Kawaguchi, Hideki Ohmura, Haruhisa Akiyama



Abstract

Bayesian optimization based on Gaussian process regression was applied to optimize the conditions for the highly sensitive detection of surface contamination by laser-induced breakdown spectroscopy (LIBS). Three experimental parameters for laser ablation–pulse energy, stage height, and detection height, with 2160 possible combinations were employed for simultaneous optimization. The reciprocal value of the limit of detection (LOD) was defined as a target variable. This value was obtained from ten LIBS measurements of a pair of samples: a clean substrate and a sample with adhered silicone oil with a specified surface concentration. In total, 173 experiments under 91 conditions were completed in 16 optimization rounds. Six candidate conditions for LOD evaluation were specified based on the optimization results. The LOD evaluation by LIBS employing a detection system using an intensified charge-coupled device provided the lowest LOD value of 0.084 ± 0.008 μg cm−2.

Source Journal

Journal of Analytical Atomic Spectrometry

Journal of Analytical Atomic Spectrometry
CiteScore: 6.2
Self-citation Rate: 25.8%
Articles per Year: 254

The Journal of Analytical Atomic Spectrometry (JAAS) is the central journal for publishing innovative research on fundamentals, instrumentation, and methods in the determination, speciation and isotopic analysis of (trace) elements within all fields of application. This includes, but is not restricted to, the most recent progress, developments and achievements in all forms of atomic and elemental detection, isotope ratio determination, molecular analysis, plasma-based analysis and X-ray techniques. The journal welcomes full papers, communications, technical notes, critical and tutorial review articles, editorials, and comments, in addition to the Atomic Spectrometry Updates (ASU) literature reviews that are prepared by an expert panel. Submissions are welcome in the following areas, but note this list reflects the current scope and authors are strongly encouraged to contact the Editorial team if they believe that their work offers potentially new and emerging research relevant to the journal remit: Fundamental studies in the following. New and existing sources for atomic emission, absorption, fluorescence and mass spectrometry and those that provide both atomic and molecular information Sample introduction techniques for solids, liquids, gases Improvements in sensitivity, selectivity, precision, accuracy and/or robustness Isotope ratio measurements, including techniques for improving precision and mass bias correction Single channel and multichannel simultaneous detection systems Chemometrics, statistics, calibration techniques and internal standardisation Theoretical and numerical modelling of fundamental processes related to all of the above methodologies Novel or improved methodologies in areas of application including, but not limited to the following. Biosciences, including elemental, speciation and isotopic analysis in biological systems, immunoassays based on metal-labeled antibodies, bio-imaging, and nanoparticle toxicology Geochemistry Environmental science Materials science, including engineered nanoparticles and quantum dots Metrology, including reference materials Forensic analysis Food and agricultural sciences Energy Archaeometry Molecular analysis. Molecular sources for elemental and isotopic analysis Atomic sources for molecular analysis Atomic and molecular techniques simultaneously used for complementary chemical information All contributions are judged on originality and quality of scientific content, and appropriateness of length to content of new science.

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