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Updated: Jun 26, 2025
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A Novel Technique for Raman Analysis of Highly Radioactive Samples Using Any Standard Micro-Raman Spectrometer
Published on: April 12, 2017
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A novel method for quantitative determination of multiple substances using Raman spectroscopy combined with CWT
Si-Wei Yang1, Yuhao Xie1, Jia-Zhen Liu1
1College of Optical and Electronic Technology, China Jiliang University, Hangzhou 310018, China.
Summary
This study introduces a new workflow for quickly identifying and measuring mixed solutions using Raman spectroscopy. The method accurately predicts multiple substance concentrations simultaneously, outperforming existing techniques.
Area of Science:
- Analytical Chemistry
- Spectroscopy
- Machine Learning
Background:
- Accurate identification and quantification of mixed solutions are critical in chemical analysis.
- Current Raman spectroscopy methods struggle with simultaneous multi-component concentration prediction.
Purpose of the Study:
- To develop a novel workflow for rapid qualitative and quantitative detection of mixed solutions.
- To demonstrate the workflow's superiority using a methanol-ethanol mixture.
- To address limitations in simultaneous multi-substance concentration analysis via Raman spectroscopy.
Main Methods:
- Converting Raman spectra to images using Continuous Wavelet Transform (CWT).
- Employing MobileNetV3 with enhanced multi-label and multi-channel synchronization for concentration prediction.
- Utilizing transfer learning and multi-stage training for accurate quantitative analysis.
Main Results:
- Achieved a coefficient of determination (R²) greater than 0.999 for methanol and ethanol concentration prediction.
- Demonstrated superior performance in Mean Absolute Percentage Error (MAPE) and Relative Standard Deviation (RSD) compared to traditional and other deep learning models.
- Successfully enabled simultaneous prediction of multiple mixture concentrations, a significant advancement.
Conclusions:
- The proposed workflow offers outstanding analytical capabilities for mixed solutions.
- This non-destructive, automated, and highly accurate method advances Raman spectroscopy applications.
- The workflow provides a robust solution for simultaneous quantitative analysis of multiple components.
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