The Perils of Molecular Interpretations from Vibrational Spectra of Complex Samples.

ABSTRACT: Vibrational spectroscopy is a widely used technique for chemical characterizations across various analytical sciences. Its applications are increasingly extending to the analysis of complex samples such as biofluids, providing high-throughput molecular profiling. While powerful, the technique suffers from an inherent limitation: The overlap of absorption information across different spectral domains hinders the capacity to identify individual molecular substances contributing to measured signals. Despite the awareness of this challenge, the difficulty of analyzing multi-molecular spectra is often underestimated, leading to unsubstantiated molecular interpretations. Here, we examine the prevalent overreliance on spectral band assignment and illuminate the pitfalls of correlating spectral si

SUBMITTER: Eissa T 

PROVIDER: S-EPMC11610679 | biostudies-literature | 2024 Dec

REPOSITORIES: biostudies-literature