Bridging Spectroscopy and Advanced Molecular Orientation Analysis with New 4+ Angle Polarization Toolbox in Quasar

TL;DR

This paper introduces the '4+ Angle Polarization' toolbox for Quasar, enabling precise molecular orientation analysis in complex microspectroscopic datasets, significantly improving accuracy over traditional methods and broadening applications in materials and biomedical research.

Contribution

The study presents a novel extension to Quasar for advanced multi-angle polarization analysis, enhancing molecular orientation measurement accuracy in heterogeneous systems.

Findings

Demonstrated versatility across diverse sample types.

Overcame limitations of traditional two-angle methods.

Enabled advanced characterization of structural anisotropy.

Abstract

Anisotropy plays a critical role in governing the mechanical, thermal, electrical, magnetic, and optical properties of materials, influencing their behavior across diverse applications. Probing and quantifying this directional dependence is crucial for advancing materials science and biomedical research, as it provides a deeper understanding of structural orientations at the molecular level, encompassing both scientific and industrial benefits. This study introduces the "4+ Angle Polarization" widget, an innovative extension to the open-source Quasar platform (https://quasar.codes/), tailored for advanced multiple-angle polarization analysis. This toolbox enables precise molecular orientation analysis of complex microspectroscopic datasets through a streamlined workflow. Using polarized Fourier transform infrared (p-FTIR) spectroscopy, we demonstrate its versatility across various sample types, including polylactic acid (PLA) organic crystals, murine cortical bone, and human osteons. By overcoming the limitations of traditional two-angle methods, the widget significantly enhances the accuracy of structural and orientational analysis. This novel analytical tool expands the potential of multiple-angle p-FTIR techniques into advanced characterization of structural anisotropy in heterogeneous systems, providing transformative insights for materials characterization, biomedical imaging and beyond.