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NMR 光谱和 LCMS 分析在 的代谢物分析中的互补分析平台。

Complementary Analytical Platforms of NMR Spectroscopy and LCMS Analysis in the Metabolite Profiling of .

机构信息

Natural Medicine and Products Research Laboratory, Institute of Bioscience, Universiti Putra Malaysia, Serdang 43400, Selangor, Malaysia.

Department of Chemistry, Faculty of Science, Universiti Putra Malaysia, Serdang 43400, Selangor, Malaysia.

出版信息

Mar Drugs. 2021 Mar 2;19(3):139. doi: 10.3390/md19030139.

DOI:10.3390/md19030139
PMID:33801258
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC7998644/
Abstract

This study was designed to profile the metabolites of , an indigenous and less explored microalgae species. H Nuclear Magnetic Resonance (NMR) spectroscopy and Liquid Chromatography-Mass Spectrometry (LCMS) were used to establish the metabolite profiles of five different extracts of this microalga, which are hexane (Hex), ethyl acetate (EtOAc), absolute ethanol (EtOH), EtOH:water 1:1 (AqE), and 100% water (Aq). Partial least square discriminant analysis (PLS-DA) of the generated profiles revealed that EtOAc and Aq extracts contain a diverse range of metabolites as compared to the other extracts with a total of twenty-one metabolites, comprising carotenoids, polyunsaturated fatty acids, and amino acids, that were putatively identified from the NMR spectra. Meanwhile, thirty-two metabolites were successfully annotated from the LCMS/MS data, ten of which (palmitic acid, oleic acid, α-linolenic acid, arachidic acid, cholesterol, DHA, DPA, fucoxanthin, astaxanthin, and pheophytin) were similar to those present in the NMR profile. Another eleven glycerophospholipids were discovered using MS/MS-based molecular network (MN) platform. The results of this study, besides providing a better understanding of 's chemical make-up, will be of importance in exploring this species potential as a feed ingredient in the aquaculture industry.

摘要

本研究旨在描绘一种本土且研究较少的微藻物种——的代谢产物。采用核磁共振（NMR）光谱和液相色谱-质谱（LCMS）技术，建立了该微藻五种不同提取物（正己烷（Hex）、乙酸乙酯（EtOAc）、无水乙醇（EtOH）、EtOH:水 1:1（AqE）和 100%水（Aq））的代谢产物图谱。所生成图谱的偏最小二乘判别分析（PLS-DA）显示，与其他提取物相比，EtOAc 和 Aq 提取物含有更多种类的代谢产物，共有 21 种代谢产物，包括类胡萝卜素、多不饱和脂肪酸和氨基酸，这些物质是根据 NMR 图谱推测鉴定的。同时，从 LCMS/MS 数据中成功注释了 32 种代谢产物，其中 10 种（棕榈酸、油酸、α-亚麻酸、花生酸、胆固醇、二十二碳六烯酸、二十二碳五烯酸、岩藻黄素、虾青素和脱镁叶绿素）与 NMR 图谱中的代谢产物相似。还利用基于 MS/MS 的分子网络（MN）平台发现了另外 11 种甘油磷脂。本研究的结果不仅有助于更好地了解‘的化学成分，还将有助于探索该物种作为水产养殖饲料成分的潜力。

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