Li Zelan, Candeo Alessia, Catelli Emilio, Ghirardello Marta, Oliveri Paolo, Manzoni Cristian, Prati Silvia, Comelli Daniela, Sciutto Giorgia
Department of Chemistry "Giacomo Ciamician", University of Bologna, Via Guaccimanni 42, 48121 Ravenna, Italy.
Department of Physics, Politecnico di Milano, Piazza Leonardo da Vinci, 20133 Milan, Italy.
Anal Chem. 2024 Dec 17;96(50):19939-19946. doi: 10.1021/acs.analchem.4c04236. Epub 2024 Dec 6.
The present study describes an innovative approach for the study of time-dependent alteration processes. It combines an advanced hyperspectral imaging (HSI) system, to collect visible reflectance and fluorescence spectral data sets sequentially, with a tailored multiblock data processing method. This enables the modeling of chemical degradation maps and the early, spatially resolved detection of dye alteration in textiles. A chemometric method based on data fusion and principal component analysis was employed to identify spectral features of dye degradation, combining and enhancing information from reflectance and fluorescence HSI data. The most significant spectral profiles extracted were used to develop an asymmetric Gaussian-based pixel-by-pixel fitting model applied to the HSI fluorescence data set, enabling the reconstruction of degradation maps for rapid and intuitive visualization. In particular, changes in intensities and horizontal shift of dye emission peaks were pixel-by-pixel evaluated and fitted for the reconstruction of the degradation maps. Artificially aged wool samples tinted with indigo carmine (IC) dye served as a case study. IC is extensively used in textiles, and it is notable for its light sensitive. The results show that this approach effectively identifies spatial variations and chemical changes in dyed wool fibers, offering potential for sustainable conservation of historical textiles and other types of time-dependent processes. Thus, by amplifying variation in spectral profiles induced over time by aging, even minimal changes at early stages can be easily detected and localized, offering powerful tools for future studies on food and drug shelf life and stability, as well as forensic trace analysis.
本研究描述了一种用于研究随时间变化的改变过程的创新方法。它将先进的高光谱成像(HSI)系统与定制的多块数据处理方法相结合,该HSI系统用于依次收集可见反射率和荧光光谱数据集。这使得能够对化学降解图谱进行建模,并在早期对纺织品中的染料变化进行空间分辨检测。采用了一种基于数据融合和主成分分析的化学计量学方法来识别染料降解的光谱特征,将来自反射率和荧光HSI数据的信息进行合并和增强。提取的最显著光谱轮廓用于开发基于非对称高斯的逐像素拟合模型,该模型应用于HSI荧光数据集,从而能够重建降解图谱以便快速直观地可视化。特别是,对染料发射峰的强度变化和水平位移进行逐像素评估和拟合,以重建降解图谱。用靛蓝胭脂红(IC)染料染色的人工老化羊毛样品作为案例研究。IC广泛用于纺织品中,并且以其对光敏感而著称。结果表明,这种方法有效地识别了染色羊毛纤维中的空间变化和化学变化,为历史纺织品和其他类型的随时间变化过程的可持续保护提供了潜力。因此,通过放大老化随时间引起的光谱轮廓变化,即使是早期的微小变化也能很容易地被检测和定位,为未来关于食品和药物保质期及稳定性以及法医痕量分析的研究提供了强大工具。