Identification of sulfur-fumigated Shanyao by near-infrared spectroscopy combined with DD-SIMCA

IF 4.9 2区 化学 Q1 CHEMISTRY, ANALYTICAL Microchemical Journal Pub Date : 2025-02-17 DOI:10.1016/j.microc.2025.113069
Chao Tan , Cheng Tan , Maoxian Chen , Hui Chen , Zan Lin
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Abstract

Shanyao (Chinese yam) is an important edible biologic medicine, known as the Chinese “little ginseng”, which is extensively sold in vegetable and medicinal material markets. The Shanyao product sold on the market is often sulfur-fumigated for improving its appearance and anti-corrosion and pest resistance effect. It is of great significance to develop a method for distinguishing whether Shanyao is sulfur-fumigated or not. This work explores the feasibility of combining near-infrared (NIR) spectroscopy, pre-processing, feature selection and class-modeling for distinguishing between sulfur-fumigated and non-fumigated Shanyao. Different concentrations of sulfur dioxide and fumigation duration are considered. A total of 200 simulated samples are prepared. Two filtering-like algorithms, i.e., Relief and MRMR, and data-driven soft independent modelling of class analogy (DD-SMICA) are used for spectral feature selection and class-modeling of the target class, respectively. The results indicate the best one-class model can be obtained by a smaller subset of original features on the pre-processing spectra. It is also found that different duration had little effect on the condition of the same concentration of sulfur dioxide. In addition, it seems necessary to perform feature selection, but two methods of feature selection present similar results. It can be concluded that the proposed procedure is a feasible for identifying the sulfur-fumigated Shanyao, which is a reference for quality control of other systems.

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近红外光谱结合DD-SIMCA鉴别硫磺烟熏山药
山药是一种重要的食用生物药,被誉为中国的“小人参”,在蔬菜和药材市场广泛销售。市场上销售的山药产品往往经过硫磺熏蒸,以改善其外观和防腐、抗虫效果。建立一种判别山药是否经硫磺熏蒸的方法具有重要意义。本研究探讨了将近红外光谱、预处理、特征选择和分类建模相结合的方法区分经硫磺熏蒸和未熏蒸的山药的可行性。考虑了不同浓度的二氧化硫和熏蒸时间。共制备了200个模拟样品。采用两种类似滤波的算法(Relief和MRMR)和数据驱动的类类比软独立建模(DD-SMICA)分别进行目标类的光谱特征选择和类建模。结果表明,在预处理光谱上选取较小的原始特征子集即可得到最佳的一类模型。在二氧化硫浓度相同的情况下,不同时间对二氧化硫浓度的影响不大。此外,似乎有必要进行特征选择,但两种特征选择方法的结果相似。结果表明,该方法对硫磺烟熏山药的鉴别是可行的,可为其他体系的质量控制提供参考。
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来源期刊
Microchemical Journal
Microchemical Journal 化学-分析化学
CiteScore
8.70
自引率
8.30%
发文量
1131
审稿时长
1.9 months
期刊介绍: The Microchemical Journal is a peer reviewed journal devoted to all aspects and phases of analytical chemistry and chemical analysis. The Microchemical Journal publishes articles which are at the forefront of modern analytical chemistry and cover innovations in the techniques to the finest possible limits. This includes fundamental aspects, instrumentation, new developments, innovative and novel methods and applications including environmental and clinical field. Traditional classical analytical methods such as spectrophotometry and titrimetry as well as established instrumentation methods such as flame and graphite furnace atomic absorption spectrometry, gas chromatography, and modified glassy or carbon electrode electrochemical methods will be considered, provided they show significant improvements and novelty compared to the established methods.
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