PMID- 35073054
OWN - NLM
STAT- MEDLINE
DCOM- 20220314
LR  - 20220314
IS  - 1520-6882 (Electronic)
IS  - 0003-2700 (Linking)
VI  - 94
IP  - 5
DP  - 2022 Feb 8
TI  - Development of Machine-Learning Techniques for Time-of-Flight Secondary Ion Mass 
      Spectrometry Spectral Analysis: Application for the Identification of Silane 
      Coupling Agents in Multicomponent Films.
PG  - 2546-2553
LID - 10.1021/acs.analchem.1c04436 [doi]
AB  - Time-of-flight secondary ion mass spectrometry (ToF-SIMS) is an important 
      analysis technique that can gather vast amounts of information from surfaces. 
      Recently, machine learning was combined with ToF-SIMS to successfully extract 
      useful information from mass spectra. However, the descriptor generation required 
      for ToF-SIMS analysis using machine learning remains challenging because it 
      requires a lot of effort, is time-consuming, and significantly limits the 
      versatility and practicality of the machine learning approach for ToF-SIMS 
      analysis. Herein, we proposed a new approach to avoid the descriptor generation: 
      to regard ToF-SIMS spectra as images and apply the convolutional neural network 
      (CNN) to analyze these spectral images. We applied and assessed this approach for 
      the identification of silane coupling agents in multicomponent films. 
      Furthermore, the CNN showed higher accuracy than descriptor-based approaches, 
      suggesting its usefulness in achieving the automation and standardization of the 
      ToF-SIMS analysis.
FAU - Lang, Yusheng
AU  - Lang Y
AD  - Innovative Technology Laboratories, AGC Incorporated, Yokohama 230-0045, Japan.
FAU - Zhou, Lilin
AU  - Zhou L
AUID- ORCID: 0000-0003-0019-0310
AD  - Innovative Technology Laboratories, AGC Incorporated, Yokohama 230-0045, Japan.
FAU - Imamura, Yutaka
AU  - Imamura Y
AD  - Innovative Technology Laboratories, AGC Incorporated, Yokohama 230-0045, Japan.
LA  - eng
PT  - Journal Article
DEP - 20220124
PL  - United States
TA  - Anal Chem
JT  - Analytical chemistry
JID - 0370536
RN  - 0 (Silanes)
SB  - IM
MH  - Automation
MH  - Machine Learning
MH  - *Silanes
MH  - *Spectrometry, Mass, Secondary Ion/methods
MH  - Spectrum Analysis
EDAT- 2022/01/25 06:00
MHDA- 2022/03/15 06:00
CRDT- 2022/01/24 17:13
PHST- 2022/01/25 06:00 [pubmed]
PHST- 2022/03/15 06:00 [medline]
PHST- 2022/01/24 17:13 [entrez]
AID - 10.1021/acs.analchem.1c04436 [doi]
PST - ppublish
SO  - Anal Chem. 2022 Feb 8;94(5):2546-2553. doi: 10.1021/acs.analchem.1c04436. Epub 
      2022 Jan 24.