Application of chemometric methods for the determination of fading and age determination of blue ballpoint inks,Journal of Raman Spectroscopy

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Application of chemometric methods for the determination of fading and age determination of blue ballpoint inks
Journal of Raman Spectroscopy ( IF 2.4 ) Pub Date : 2020-11-30 , DOI: 10.1002/jrs.6037
Barbara Łydżba‐Kopczyńska ₁ , Tomasz Czaja _{1,

2} , Rafał Cieśla ₃ , Grzegorz Rusek ₁

Affiliation

This study presents preliminary results for applicability of micro‐Raman and VIS–NIR reflectance spectroscopy in age determination of blue ballpoints inks containing phthalocyanine and crystal violet. Based on chemometric methods, 74 different random blue pens were classified to various types of inks. Then handwritten samples stored in different light conditions were subjected to the analysis. The first set of samples was stored for 7 years at room temperature in an envelope without direct exposure to the light, whereas the second set of samples was aged by exposing them to natural light cycle for 85 days. The L, a, b values were determined on the basis of recorded Raman and VIS–NIR spectra and then used for chemometric calculation. Based on those values, partial least squares models were built, allowing to obtain correlations between ∆E and Raman and reflectance spectra. Relative standard errors of prediction RSEP(%) for obtained models were calculated in the range 1.97–5.13 and 1.20–2.27 for Raman and VIS–NIR spectra, respectively. The proposed nondestructive method allows to estimate the age of daylight exposed samples.

中文翻译：

化学计量学方法在蓝色圆珠笔墨水褪色和年龄确定中的应用

这项研究提供了显微拉曼光谱和VIS-NIR反射光谱法在测定含酞菁和结晶紫的蓝色圆珠笔墨水的年龄中的适用性的初步结果。根据化学计量学方法，将74种不同的随机蓝笔分类为各种类型的墨水。然后对存储在不同光照条件下的手写样本进行分析。第一组样品在室温下没有直接暴露于光的信封中保存7年，而第二组样品则通过将其暴露于自然光下老化85天。的大号，一个，b根据记录的拉曼光谱和VIS–NIR光谱确定值，然后用于化学计量计算。基于这些值，建立了偏最小二乘模型，可以获取∆E和拉曼光谱与反射光谱之间的相关性。对于拉曼光谱和VIS-NIR光谱，所获得模型的预测RSEP（％）的相对标准误差分别在1.97–5.13和1.20–2.27范围内。所提出的非破坏性方法允许估计暴露于日光的样品的年龄。

更新日期：2021-01-16

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