Three-dimensional spectrochromatographic determination of chlorogenic acid in Melampyrum stenophyllum Boiss. extracts by parallel factor analysis.

IF 3 3区 生物学 Q2 BIOCHEMICAL RESEARCH METHODS Phytochemical Analysis Pub Date : 2024-09-02 DOI:10.1002/pca.3439
Zehra Ceren Ertekin, Ayşegül Köroğlu, Erdal Dinç
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Abstract

Introduction: Co-elution is a common challenge in phytochemical chromatography. Full chromatographic separation often requires extensive optimization, long analysis times, and excessive solvent use. A viable alternative could be mathematical elution of analytes using three-dimensional decomposition.

Objectives: This study aimed to develop a method to determine chlorogenic acid in Melampyrum stenophyllum Boiss. extracts without complete chromatographic separation, to validate the method, and to cross-validate assay results against a classical ultra-performance liquid chromatography (UPLC) method.

Methodology: Ultra-performance liquid chromatography-photodiode array (UPLC-PDA) spectrochromatograms were arranged into a three-way data cube with dimensions of time, wavelength, and sample and then decomposed using parallel factor analysis to reveal chromatographic, spectral, and concentration profiles. The chromatographic and spectral profiles were used to identify chlorogenic acid in overlapping signals. The relative concentration profile was used to quantify it in the plant extract. The assay results were statistically compared with those from an in-house classical UPLC method.

Results: Chlorogenic acid was co-eluted at 1.45 min and quantified as 16.11 mg per gram dry weight of Melampyrum stenophyllum extracts (SD = 0.28), despite significant interference in a 4-min runtime. The analytical validity was confirmed by recovery calculations from standard solutions and standard addition samples (RSD < 2%), and the t-test resulted in a p-value of 0.09 (α = 0.05), indicating no significant difference between the results obtained from mathematical elution and chromatographic separation.

Conclusion: Chlorogenic acid was quantified from plant material accurately despite the co-elution. Validation and cross-validation results support the method's applicability.

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通过平行因子分析三维光谱色谱法测定黄花梨提取物中的绿原酸
简介:共洗脱是植物化学色谱中常见的难题。完全的色谱分离往往需要大量的优化工作、较长的分析时间和过量的溶剂使用。一种可行的替代方法是利用三维分解法对分析物进行数学洗脱:本研究旨在开发一种无需完全色谱分离即可测定叶枯素提取物中绿原酸含量的方法,验证该方法的有效性,并将测定结果与经典的超高效液相色谱(UPLC)方法进行交叉验证:方法:将超高效液相色谱-光电二极管阵列(UPLC-PDA)光谱色谱图排列成以时间、波长和样品为维度的三维数据立方体,然后使用并行因子分析法进行分解,以揭示色谱、光谱和浓度曲线。色谱和光谱图谱用于识别重叠信号中的绿原酸。相对浓度曲线用于量化植物提取物中的绿原酸。检测结果与内部经典 UPLC 方法的结果进行了统计比较:结果:绿原酸在 1.45 分钟时发生共沉淀,定量为每克干重 16.11 毫克(SD = 0.28),尽管在 4 分钟的运行时间内存在明显干扰。标准溶液和标准添加样品的回收率计算(RSD 结论)证实了分析的有效性:尽管存在共洗脱现象,绿原酸仍能从植物材料中准确定量。验证和交叉验证结果支持该方法的适用性。
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来源期刊
Phytochemical Analysis
Phytochemical Analysis 生物-分析化学
CiteScore
6.00
自引率
6.10%
发文量
88
审稿时长
1.7 months
期刊介绍: Phytochemical Analysis is devoted to the publication of original articles concerning the development, improvement, validation and/or extension of application of analytical methodology in the plant sciences. The spectrum of coverage is broad, encompassing methods and techniques relevant to the detection (including bio-screening), extraction, separation, purification, identification and quantification of compounds in plant biochemistry, plant cellular and molecular biology, plant biotechnology, the food sciences, agriculture and horticulture. The Journal publishes papers describing significant novelty in the analysis of whole plants (including algae), plant cells, tissues and organs, plant-derived extracts and plant products (including those which have been partially or completely refined for use in the food, agrochemical, pharmaceutical and related industries). All forms of physical, chemical, biochemical, spectroscopic, radiometric, electrometric, chromatographic, metabolomic and chemometric investigations of plant products (monomeric species as well as polymeric molecules such as nucleic acids, proteins, lipids and carbohydrates) are included within the remit of the Journal. Papers dealing with novel methods relating to areas such as data handling/ data mining in plant sciences will also be welcomed.
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