在天然产品中的NMR和LC-HRMS分析的互补性评估:在叶上的应用
Christodoulos Anagnostou1, Stavros Beteinakis1, Theodora Nikou1
1Division of Pharmacognosy and Natural Products Chemistry, Department of Pharmacy, National and Kapodistrian University of Athens, Panepistimiopolis, Zografou, 157 71, Athens, Greece.
Metabolomics : Official journal of the Metabolomic Society
|December 1, 2025
概括
核磁共振 (NMR) 和超高性能液体染色学-高分辨率质谱学 (UPLC-HRMS) 提供了对自然产品分析的补充性见解. 它们在分析Pistacia lentiscus叶子时的联合使用揭示了有价值的植物化学数据和生物标志物.
科学领域:
- 自然产品化学 自然产品化学
- 分析化学 分析化学
- 植物代谢学 植物代谢学
背景情况:
- 代谢学对天然产品研究至关重要,有助于识别生物活性化合物.
- 皮斯塔 (Pistacia lentiscus L. var.) 是一种的植物. 叶是一种农业副产品,具有多样化的药理特性,但缺乏全面的植物化学数据.
- 关于核磁共振 (NMR) 或液体染色学-质谱法 (LC-MS) 是优越的分析平台,存在争论.
研究的目的:
- 评估NMR和LC-MS在天然产品分析中的互补性质.
- 首次使用NMR和UPLC-HRMS对Pistacia lentiscus叶的植物化学成分进行分析.
主要方法:
- 使用NMR和UPLC-HRMS开发了两种非向的代谢学方法.
- 应用多变量分析 (MVA),统计总相关谱学 (STOCSY) 和统计异态谱学 (SHY) 来解释数据.
主要成果:
- 通过对NMR和UPLC-HRMS进行比较,证明了采用这两种技术的协同优势.
- 根据研究的参数,确定与叶的分类相关的特定生物标志物.
- STOCSY和SHY是生物标志物分配和结果解释的有效工具.
结论:
- 联合使用NMR和UPLC-HRMS为天然产品分析提供了全面的方法.
- 这项研究突出了分析平台之间的协同作用,用于详细的代谢物概况.
- 鉴定到的生物标志物有助于了解Pistacia lentiscus叶的植物化学特征.
相关概念视频
00:58¹H NMR Signal Integration: Overview
3.2K
The intensity of a signal, which can be represented by the area under the peak, depends on the number of protons contributing to that signal. The area under each peak is shown as a vertical line called an integral, with the integral value listed under it, as seen in the proton NMR spectrum of benzyl acetate. Each integral value is divided by the smallest integral value to obtain the ratio of the number of protons producing each signal. The ratio reveals the relative number of protons and not...
3.2K
01:13¹H NMR: Complex Splitting
1.8K
A proton M that is coupled to a proton X results in doublet signals for M. However, NMR-active nuclei can be simultaneously coupled to more than one nonequivalent nucleus. When M is coupled to a second proton A, such as in styrene oxide, each peak in the doublet is split into another doublet.
Splitting diagrams or splitting tree diagrams are routinely used to depict such complex couplings. While drawing splitting diagrams, the splitting with the larger coupling constant is usually applied...
Splitting diagrams or splitting tree diagrams are routinely used to depict such complex couplings. While drawing splitting diagrams, the splitting with the larger coupling constant is usually applied...
1.8K
01:192D NMR: Heteronuclear Single-Quantum Correlation Spectroscopy (HSQC)
1.4K
Heteronuclear single-quantum correlation spectroscopy (HSQC) is a 2D NMR technique that reveals one-bond correlations between hydrogen and a heteronucleus. The HSQC experiment is similar to the heteronuclear correlation experiment (HETCOR) but is more sensitive. In the HSQC spectrum, the proton chemical shift is plotted on the horizontal F2 axis, while the 13C chemical shift is plotted on the vertical F1 axis. The corresponding proton and 13C spectra are also shown. The HSQC contour plot does...
1.4K
01:21Mass Spectrometry: Complex Analysis
1.5K
Mass spectrometry is an important technique for the identification of pure compounds. However, it has some limitations for the analysis of complex mixtures, often due to excessive fragmentation making the spectrum too complicated to decipher. Mass spectrometry can be combined with suitable separation methods in sequence, forming hyphenated methods, which are useful in the analysis of complex mixtures.
GC–MS is a powerful hyphenated method commonly used in forensics and environmental...
GC–MS is a powerful hyphenated method commonly used in forensics and environmental...
1.5K
01:15High-Resolution Mass Spectrometry (HRMS)
2.3K
The resolution of a mass spectrometer depends on the efficiency of separating ions with different ion masses. The mass of an atom is approximated to the sum of the masses of protons and neutrons inside, considering the masses of protons and neutrons as equal. However, the masses of the proton (1.6726 × 10−24 g) and neutron (1.6749 × 10−24 g) are not truly equal. There is a minor error in the expression of atomic masses relative to the simplest atom of hydrogen. For...
2.3K
01:182D NMR: Overview of Heteronuclear Correlation Techniques
714
Heteronuclear correlation spectroscopy is an analytical technique that investigates the coupling between different types of nuclei, often a proton and an X-nucleus, such as carbon-13 or nitrogen-15. This method is commonly used in nuclear magnetic resonance (NMR) spectroscopy to gain insights into complex chemical compounds' structural and compositional aspects. A typical heteronuclear correlation spectrum displays X-nucleus chemical shifts on one axis and a proton spectrum on the other...
714