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核磁共振实验定制作物恢复强度(RICC-NMR)以更好地洞察西西里和撒丁岛特级初榨橄榄油的化学计量学

Restored Intensities from Customized Crops of NMR Experiments (RICC-NMR) to Gain Better Insight on Chemometrics of Sicilian and Sardinian Extra Virgin Olive Oils.

作者信息

Culeddu Nicola, Rotondo Archimede, Nastasi Federico, Bartolomeo Giovanni, Deiana Pierfrancesco, Santona Mario, Tarantilis Petros A, Pellicane Giuseppe, La Torre Giovanna Loredana

机构信息

CNR-Istituto di Chimica Biomolecolare (ICB), Traversa La Crucca 3, Loc. Baldinca, Li Punti, 07040 Sassari, Italy.

Department of Biomedical and Dental Sciences and Morpho-Functional Imaging (BIOMORF), University of Messina, 98168 Messina, Italy.

出版信息

Foods. 2025 May 19;14(10):1807. doi: 10.3390/foods14101807.

Abstract

The paper describes the application of mono-dimensional high-resolution nuclear magnetic resonance (NMR) spectroscopy to extra virgin olive oil (EVOO) samples to extract the chemical composition reasonably featured by specific genotype () and detailed environmental conditions (). To achieve this goal, we designed a suitable spectroscopic protocol made up of four NMR experiments: (I) standard H{C}, (II) multiple pre-saturated H{C}, (III) H selective excitation at 9.25 ppm, and (IV) C{H} acquisition. The three H-NMR experiments (I-III) were merged into a single informative H-NMR trace. This "Restored Intensities from Customized Crops" (RICC-NMR) allowed us to extract, in just one H-NMR dataset, combined information about (a) main components, (b) less-represented components, and (c) minor but key-ruling secoiridoid species, respectively. Selected integrations of the RICC-NMR trace, together with selected integrations gathered from the C-NMR profile, led, for each sample, to the quantification of variables able to sort out distinct EVOOs. In this paper, this original methodology was applied to rationalize eighteen EVOOs from Sicily and nineteen from Sardinia, which were chemometrically compared and discussed.

摘要

本文描述了一维高分辨率核磁共振(NMR)光谱在特级初榨橄榄油(EVOO)样品中的应用,以提取由特定基因型()和详细环境条件()合理表征的化学成分。为实现这一目标,我们设计了一个合适的光谱协议,该协议由四个NMR实验组成:(I)标准H{C},(II)多次预饱和H{C},(III)在9.25 ppm处的H选择性激发,以及(IV)C{H}采集。三个H-NMR实验(I-III)合并为一个单一的信息丰富的H-NMR谱线。这种“定制作物恢复强度”(RICC-NMR)使我们能够在仅一个H-NMR数据集中分别提取有关(a)主要成分、(b)含量较少的成分和(c)少量但关键的裂环烯醚萜类物种的组合信息。RICC-NMR谱线的选定积分,以及从C-NMR图谱中收集的选定积分,针对每个样品,实现了能够区分不同EVOO的变量的量化。在本文中,这种原始方法被应用于对来自西西里岛的18种EVOO和来自撒丁岛的19种EVOO进行合理化分析,并对它们进行了化学计量学比较和讨论。

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