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运用 3 种量子指纹评估香烟的质量一致性。

Evaluating quality consistency of cigarette by 3 kinds of quantum fingerprints.

机构信息

College of Pharmacy, Shenyang Pharmaceutical University, Wenhua Road 103, Shenyang 110016, PR China.

China Tobacco Guizhou Industrial Co., Ltd, Guiyang 550009, PR China.

出版信息

Spectrochim Acta A Mol Biomol Spectrosc. 2022 Dec 5;282:121678. doi: 10.1016/j.saa.2022.121678. Epub 2022 Aug 2.

DOI:10.1016/j.saa.2022.121678
PMID:35940065
Abstract

Cigarette has a history of more than 40 years and once sold well all over the country. The purpose of this paper is to evaluate the quality consistency of 30 batches of cigarettes. Differential scanning calorimetry (DSC) curves, Fourier Transform Infrared (FT-IR) spectra and terahertz time-domain spectra of 30 batches of cigarettes were collected. In this paper, a new quality evaluation method was explored, the obtained fingerprints were quantized, the t-test was used to analyze the correlation between the original fingerprint and the quantum fingerprint. The quantized fingerprints were evaluated by the systematically quantitative fingerprint method (SQFM), the macro qualitative similarity and the macro quantitative similarity were used to reflect the internal differences of the samples. Finally, the antioxidant activities of 30 batches of samples were investigated, and the correlation between quantum fingerprints and IC values were analyzed by Pearson correlation coefficient (r).The result shows that there was no significant difference between the quantum fingerprint and the original fingerprint; SQFM can effectively calculate the similarity of sample curves and classify samples into different grades; the FT-IR fingerprints had a good correlation with the IC value. 30 samples performed a good quality consistency within an acceptable grades range. In addition, quantum fingerprints have broad application prospects in spectral analysis.

摘要

香烟已有 40 多年的历史,曾经在全国范围内畅销。本文旨在评估 30 批香烟的质量一致性。采集了 30 批香烟的差示扫描量热法(DSC)曲线、傅里叶变换红外(FT-IR)光谱和太赫兹时域光谱。本文探索了一种新的质量评估方法,对得到的指纹进行量化,使用 t 检验分析原始指纹和量子指纹之间的相关性。通过系统定量指纹法(SQFM)对量化指纹进行评估,利用宏观定性相似度和宏观定量相似度来反映样品的内部差异。最后,对 30 批样品的抗氧化活性进行了研究,并通过皮尔逊相关系数(r)分析了量子指纹与 IC 值之间的相关性。结果表明,量子指纹与原始指纹之间没有显著差异;SQFM 可以有效地计算样品曲线的相似度,并将样品分为不同的等级;FT-IR 指纹与 IC 值具有良好的相关性。30 个样品在可接受的等级范围内表现出良好的质量一致性。此外,量子指纹在光谱分析中具有广阔的应用前景。

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