Additive patterns in near-infrared diffuse reflectance spectra: Implications for product formulation and analysis

• Published in: Food control 2024-11, Vol.165, p.110676, Article 110676
• Main Authors: Zhao, Le, Liang, Youyan, Zhang, Nuohan, Chang, Yanbin, Fan, Meijuan, Wang, Cong, Li, Beibei, Wang, Hongbo, Liu, Yu, Yu, Hongxiao, Yang, Song, Xie, Fuwei, Nie, Cong, Guo, Junwei
• Format: Article
• Language: English
• Subjects: Additive patterns; Kubelka–munk theory; Near-infrared diffuse reflectance spectroscopy; Polymer materials; Product formulation
• ISSN: 0956-7135; 1873-7129
• DOI: 10.1016/j.foodcont.2024.110676

In this study, we investigated the additive patterns observed in near-infrared (NIR) diffuse reflectance spectra within the context of food and pharmaceutical product formulation. Employing the Kubelka–Munk theory, we examined the linear correlation between spectra and concentration in polymer materials and tobacco powder samples. Our findings confirm the principle of spectral additivity in diffuse reflectance spectra, demonstrating a linear relationship when the sample scattering coefficient remains constant. Moreover, our results validate the feasibility of substituting actual mixed spectra with NIR additive spectra in tobacco leaf systems. This approach can potentially enhance formulation design, thereby improving efficiency and accuracy while expanding the scope and combination of formulation materials. Furthermore, this study offers a rapid, information-rich, and environmentally friendly alternative to traditional methods, with significant implications for the future of product formulation. [Display omitted] •The study confirmed spectral additivity in diffuse reflectance spectra.•Validated linear relationship between absorbance/K-M function and concentration.•Substituting actual mixed spectra with near-infrared additive spectra is feasible.•Enhanced formulation design improved perdition efficiency and accuracy.•Provides a rapid and environmentally friendly alternative to traditional methods.