基于快速蒸发电离质谱法快速鉴别纺织品纤维成分

Fast Identification of Textile Fiber Composition Using Rapid Evaporative Ionization Mass Spectrometry

  • 摘要: 本研究建立了电烙铁灼烧-快速蒸发电离质谱法,以实现对纺织品质谱数据的快速采集。通过电烙铁直接灼烧样品表面产生烟气,供快速蒸发电离质谱系统分析,无需样品前处理,操作简便,单次数据采集用时仅4~5 s。经优化,该方法可产生稳定的质谱信号,能够满足质谱分析的重复性要求。使用本方法采集7类39种经鉴定的纺织品标准样品质谱数据共359组,组成了包含4 500个变量(m/z值)的纤维成分质谱数据集。将数据集导入LiveID软件,建立主成分分析-线性判别分析相结合(PCA-LDA)预测模型,用于对7类纺织品纤维成分进行分类。所得模型经五折交叉验证,误判率为2.23%;其对棉、蚕丝、聚酯纤维和锦纶的分类准确率、精确度、召回率和F1分数均大于99%,对羊毛不低于90%,对氨纶、腈纶不低于75%,基本满足快速鉴别要求。结合模型变量重要性分析与Progenesis QI软件筛选结果,识别出分别属于7类纤维的29个特征碎片离子。将训练的PCA-LDA模型应用于20种纺织品实际样品的纤维种类鉴别,得到的结果与样品宣称及人工鉴定的纤维成分一致。该方法可为服装、家用纺织品等产品或面料的真实属性鉴别与品质评价提供技术参考。

     

    Abstract: A rapid and efficient method of soldering iron cauterization coupled with rapid evaporative ionization mass spectrometry (SIC-REIMS) was developed for fast acquisition of mass spectrometric data from textile samples. This approach utilized a heated electric soldering iron to directly cauterize the sample surface, generating smoke plumes that were simultaneously analyzed by a REIMS system. The method required no sample pretreatment, making it straightforward and time-efficient, with each data acquisition cycle completed within just 4-5 s. The performance of SIC-REIMS was optimized by adjusting key operational parameters, the cone voltage was set to 50 V, the heating bias voltage to 60 V, the auxiliary solvent flow rate to 200 μL/min, and the soldering iron temperature to 450 ℃. These optimized conditions ensured stable and reproducible mass spectrometric signals, which met reproducibility standards for MS analysis. Mass spectrometric data were collected from 39 authenticated textile samples spanning seven fiber categories by SIC-REIMS, including cotton, silk, wool, polyester, polyamide, spandex, and acrylic. The resulting dataset, comprising 359 mass spectra and 4 500 variables (m/z values), was processed with the LiveID software to develop a principal component analysis-linear discriminant analysis (PCA-LDA) model for classifying textile fiber compositions. The PCA-LDA model undergoing five-fold cross-validation achieves a misclassification rate of 2.23%. It exhibits exceptional classification performance for various fiber types, accuracy, precision, recall, and F1 scores exceed 99% for cotton, silk, polyester, and polyamide. For wool, these metrics are not less than 90%, and for spandex and acrylic, they are over 75%. This accuracy makes the method suited for rapid and reliable identification of textile fiber, addressing the needs of rapid quality assessments. Feature importance analysis of the PCA-LDA model combined with Progenesis QI screening identifies 29 characteristic fragment ions specific to the seven fiber categories, including seven ions from cotton, four from silk, three from wool, eight from polyester, five from polyamide, and one each from spandex and acrylic. These characteristic ions provide critical chemical markers for further understanding and classification of textile fibers. The trained PCA-LDA model was subsequently applied to analyze 20 textile samples obtained from the market or online. Using LiveID's offline recognition mode, the predicted results aligned with both the claimed fiber compositions and manual identification results. Overall, the SIC-REIMS method offers a rapid, accurate, and technically advanced solution for textile authentication and quality evaluation, serving as a valuable reference for the authentication and quality control of clothing and textile products.

     

/

返回文章
返回