Spectral and chromatographic fingerprint −based qualitative and quantitative evaluation strategy combined with chemometrics for quality control of functional red yeast

IF 4.9 2区 化学 Q1 CHEMISTRY, ANALYTICAL Microchemical Journal Pub Date : 2025-05-01 Epub Date: 2025-03-04 DOI:10.1016/j.microc.2025.113211
Ting Yang , Lan Xue , Xi Liu , Chunhui Hao , Dandan Gong , Guoxiang Sun
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Abstract

The red yeast has significant potential for application in the food industry and in the improvement of cardiovascular diseases. The objective of this study is to develop a rapid, accurate, and comprehensive quality control strategy. Functional and common red yeast were identified through Fourier Transform Infrared (FTIR) spectral fingerprinting combined with Orthogonal Partial Least Squares Discriminant Analysis (OPLS-DA). A quantitative prediction model for the indicator component, lovastatin, was constructed by integrating Ultraviolet (UV) spectral fingerprinting with Partial Least Squares (PLS) model. The FTIR and UV spectral quantized fingerprints (QFPs) of functional red yeast were obtained, thereby rendering the spectral information concise. The spectral QFPs were evaluated for qualitative and quantitative similarity by combining them with Systematically Quantified Fingerprint Method (SQFM), and the integration of evaluation results were obtained using the coefficient of variation weighted mean. The combination of High Performance Liquid Chromatography (HPLC) fingerprints and SQFM demonstrated the process stability of the production of functional red yeast into Xuezhikang capsules. This strategy innovatively integrates chemometrics, fingerprinting techniques, and similarity evaluation methods, offering a more efficient and comprehensive approach than traditional identification and quality control methods. It represents a novel paradigm for source-level quality control of functional red yeast.

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基于光谱和色谱指纹图谱的定性和定量评价策略与化学计量学相结合用于功能性红曲的质量控制
红曲在食品工业和改善心血管疾病方面具有巨大的应用潜力。本研究的目的是建立一个快速、准确、全面的质量控制策略。采用傅里叶变换红外(FTIR)光谱指纹图谱结合正交偏最小二乘判别分析(OPLS-DA)对功能性红曲和普通红曲进行了鉴定。将紫外光谱指纹图谱与偏最小二乘(PLS)模型相结合,建立了指示成分洛伐他汀的定量预测模型。获得了功能性红曲的FTIR和UV光谱量化指纹图谱(QFPs),使其光谱信息更加简洁。将光谱qfp与系统量化指纹法(SQFM)相结合,进行定性和定量相似性评价,并用变异系数加权平均对评价结果进行综合。采用高效液相色谱(HPLC)指纹图谱和SQFM相结合的方法,验证了功能性红曲制备血脂康胶囊的工艺稳定性。该方法创新性地集成了化学计量学、指纹技术和相似性评价方法,提供了比传统鉴定和质量控制方法更有效、更全面的方法。它代表了功能性红曲源级质量控制的新范式。
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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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