An automatic method for accurate signal-to-noise ratio estimation and baseline correction of Raman spectra of environmental microplastics.

In this study, we introduced a k-iterative double sliding-window (DSW^k) method for the estimation of spectral noise, signal-to-noise ratio (SNR), and baseline correction. The performance was evaluated using simulated spectra and compared against other commonly employed methods. Convergent evaluation determined that a k value of 20 strikes an optimal balance between convergence and computational intensity. The DSW^k method demonstrated outstanding performance across different spectral types (flat baseline, baseline with elevation, baseline with fluctuation, baseline with elevation and fluctuation) coupled with SNR values from 10 to 1000, achieving results that ranged from 1.01 to 1.08 times of the reference value in estimating spectral noise. It also showed that the estimated SNR values are 0.89 to 0.93 times of the reference value, demonstrating a 74.5 % - 131.7 % improvement over the conventional method in spectra with elevated and/or fluctuating baselines. Additionally, the DSW^k method proved effective in correcting baselines and identifying polymers in environmental samples of polyethylene (PE), polypropylene (PP), and polystyrene (PS), despite the limitation of reducing the peak height in spectra with low SNR. This method offers the potential to enhance the automatic and accurate evaluation of spectral quality and could assist in the development of guidelines for more rapid parameter adjustments in Raman measurements.

Development of automated microplastic identification workflow for Raman micro-imaging and evaluation of the uncertainties during micro-imaging.

In this study, an automated identification workflow for Raman micro-imaging (RMI) was developed, and the performance was evaluated by artificial samples of microplastic (MP) microsphere with different sizes and types. Theoretical detection rate and estimated particle size were derived and compared with experimental data. Results show that the proposed workflow can identify plastic types and estimate the size of the MP microspheres under different conditions for most cases. However, size of laser spot and discrepancy between sample surface and focal plane can influence RMI results in two ways. Firstly, small particles are more likely to be detected. Secondly, estimated sizes of particles are more likely to be overestimated. The derived uncertainties can serve as a reference for future experimental design and further investigation of more complex situations. The workflow is accessible online, and interested researchers can adjust the parameter values as necessary to suit their specific circumstances.