Simple, fast, and accurate methodology for quantitative analysis using Fourier transform infrared spectroscopy, with...

Area of Science:

• Analytical Chemistry
• Spectroscopy
• Materials Science

Background:

• Standard quantitative analysis (QA) methods using Fourier transform infrared (FTIR) spectroscopy can be overly complex for routine laboratory applications.
• There is a need for simplified, yet accurate, FTIR QA techniques suitable for a wider range of users and disciplines.

Purpose of the Study:

• To present a straightforward and intuitive methodology for quantitative analysis (QA) using Fourier transform infrared (FTIR) spectroscopy.
• To enable widespread adoption of FTIR QA as a standard laboratory technique for occasional users across various scientific disciplines.

Main Methods:

• The developed algorithm relies on component spectra, error minimization, and local adaptive mesh refinement.
• The methodology is designed to be fast, accurate, and robust, even under challenging experimental conditions.
• The approach was successfully tested on real-world mixtures containing up to nine components.

Main Results:

• The methodology demonstrated robustness against similar substances and component percentages varying by three orders of magnitude.
• The algorithm performed effectively even with imperfect, noisy spectral data.
• Successful analysis of biological, chemical, and physical aspects of bio-hybrid fuel cells was achieved as a practical example.

Conclusions:

• The presented FTIR QA methodology offers a simplified, accurate, and robust alternative to existing complex techniques.
• This approach facilitates the broader application of FTIR spectroscopy for quantitative analysis in diverse scientific fields.
• The technique is particularly suitable for occasional users and routine laboratory settings, enhancing accessibility and efficiency.