Microfluidic technology combined with density functional theory for investigating terahertz spectral characteristics of hyaluronic acid and its constituent monomers

Abstract

Terahertz spectroscopy offers a valuable approach for material research, particularly in identifying unique characteristics of biological macromolecules within the terahertz band. Hyaluronic acid, a polysaccharide involved in vital life processes within the human body, holds significant application potential in medicine and healthcare. In this study, we employed a terahertz time-domain spectroscopy system combined with microfluidic chip to investigate the terahertz absorption spectra of hyaluronic acid and its constituent monomers, namely D-glucuronic acid and N-acetylglucosamine. The analysis covered solid state under vacuum and humidity of 19.8% environment , as well as solution state, spanning a frequency range of 0.5 ∼ 2.5 THz. In addition, using CASTEP software package and PBE density functional, the molecular structures of D-glucuronic acid and N-acetylglucosamine were simulated using periodic boundary conditions, and the vibrational modes of absorption peaks were assigned to determine their sources. The results indicate that terahertz spectroscopy is highly sensitive to the structure and environment of substances, and the absorption peaks of materials in a vacuum are primarily attributed to interactions both between molecules and within molecules.