不均匀场下基于分子间双量子相干核磁共振技术的果肉检测

doi:10.11938/cjmr20192713

摘要/Abstract

摘要： 核磁共振（NMR）谱图可在不破坏生物样品的状态下提供组织成分组成及其含量的信息，已被广泛应用于生物、医学和食品检测等领域.NMR谱图分辨率越高，提供的与组织成分相关的信息越丰富、越准确，也越有利于未知成分的定性和定量分析.传统的高分辨NMR谱图通常要在均匀磁场下采集.但在实际应用中，均匀的磁场较难获得.这就使得我们采集的NMR谱图的分辨率，以及由此获得的生物组织成分组成和含量等信息的准确性受到影响.源于远程偶极相互作用的分子间双量子相干（iDQC）技术对磁场均匀度不敏感，可在不均匀场下获得高分辨率NMR谱图.本文采用基于iDQC技术的IDEAL-Ⅱ序列对甲基丙烯酸丁酯、蕃茄和西瓜三种样品进行了NMR实验，结果证明基于iDQC技术在不均匀场下获得水果的高分辨NMR谱图是可行的，这对食品科学以及食品检测具有积极的意义.

关键词: 核磁共振(NMR), 分子间双量子相干(iDQC), 水果检测, 不均匀磁场

Abstract: Nuclear magnetic resonance (NMR) spectroscopy is an effective way to obtain in situ chemical information in biological tissues, and used in various application fields, including biology, food and medicine. It is often desirable to acquire high-resolution spectra of obtain more information of the sample, such as J-couplings, split structure and etc. However, acquiring high-resolution spectra under inhomogeneous field can be challenging. It has been shown previously that intermolecular double-quantum coherence (iDQC) derived from remote dipole-dipole interactions are insensitive to magnetic field inhomogeneity, and can be utilized to obtain high-resolution spectra under inhomogeneous fields. In this work, the IDEAL-II sequence was used to detect iDQC in butyl methacrylate, tomato and watermelon under inhomogeneous fields to obtain high-resolution spectra of these samples. The results demonstrated that the iDQC technology may provide a valuable tool in food science research.

Key words: nuclear magnetic resonance (NMR), inter-molecular double-quantum coherences (iDQC), fruit detection, inhomogeneous magnetic field

中图分类号:

李震, 蔡宏浩, 雷国伟, 赖宗英, 吴孟键, 闫瑾, 潘邵斌. 不均匀场下基于分子间双量子相干核磁共振技术的果肉检测[J]. 波谱学杂志, 2019, 36(4): 563-570.

LI Zhen, CAI Hong-hao, LEI Guo-wei, LAI Zong-ying, WU Meng-jian, YAN Jin, PAN Shao-bin. Intermolecular Double-Quantum Coherence NMR Spectroscopy of Fruits Under Inhomogeneous Field[J]. Chinese Journal of Magnetic Resonance, 2019, 36(4): 563-570.

参考文献

[1] WANG X H, SUN P, ZHANG X, et al. Application of magnetic resonance technique to quality and safety evaluation of food[J]. Chinese J Magn Reson, 2017, 34(2):245-256. 王小花, 孙鹏, 张许, 等. 磁共振技术在食品质量与安全研究中的应用[J]. 波谱学杂志, 2017, 34(2):245-256.
[2] LI W, JIA J Y, LI L, et al. Differentiating butter (cream) from margarine (non-dairy whip topping) based on metabolomics by NMR spectrometry[J]. Food Science, 2017, 38(12):278-285. 李玮, 贾婧怡, 李龙, 等. 核磁共振代谢组学技术鉴别天然奶油与人造奶油[J]. 食品科学, 2017, 38(12):278-285.
[3] HOHMANN M, MONAKHOVA Y, ERICH S, et al. Differentiation of organically and conventionally grown tomatoes by chemometric analysis of combined data from ¹H NMR- and MIR-spectroscopy and stable isotope analysis[J]. J Agric Food Chem, 2015, 63(43):9666-9675.
[4] KIM H S, PARK S J, HYUN S H, et al. Biochemical monitoring of black raspberry (Rubus coreanus Miquel) fruits according to maturation stage by ¹H NMR using multiple solvent systems[J]. Food Res Int, 2011, 44(7):1977-1987.
[5] CHEN Z, CAI S H, HUANG Y Q, et al. Intermolecular multiple-quantum coherences and their applications in NMR[J]. Journal of Xiamen University (Natural Science), 2011, 50(2):193-202. 陈忠, 蔡淑惠, 黄玉清, 等. 核磁共振中分子间多量子相干及其应用[J]. 厦门大学学报(自然科学版), 2011, 50(2):193-202.
[6] VALENTINI M, RITOTA M, CAFIERO C, et al. The HR MAS-NMR tool in food stuff characterization[J]. Magn Reson Chem, 2011, 49(s1):121-125.
[7] ANDRÉ M, PIOTTO M, CALDARELLI S, et al. Ultrafast high-resolution magic-angle-spinning NMR spectroscopy[J]. Analyst, 2015, 140(12):3942-3946.
[8] PÉREZ E M S, IGLESIAS M J, ORTIZ F L, et al. Study of the suitability of HR MAS NMR for metabolic profiling of tomatoes:Application to tissue differentiation and fruit ripening[J]. Food Chem, 2010, 122(3):877-887.
[9] SOBOLEV A P, MANNINA L, PROIETTI N, et al. Untargeted NMR-based methodology in the study of fruit metabolites[J]. Molecules, 2015, 20(3):4088-4108.
[10] VERMATHEN M, MARZORATI M, VERMATHEN P. Exploring high-resolution magic angle spinning (HR-MAS) NMR spectroscopy for metabonomic analysis of apples[J]. Chimia (Aarau), 2012, 66(10):747-751.
[11] VERMATHEN M, MARZORATI M, BAUMGARTNER D, et al. Investigation of different apple cultivars by high resolution magic angle spinning NMR. A feasibility study[J]. J Agric Food Chem, 2011, 59(24):12784-12793.
[12] MANNINA L, SOBOLEV A P, CAPITANI D. Applications of NMR metabolomics to the study of food stuffs:Truffle, kiwifruit, lettuce, and sea bass[J]. Electrophoresis, 2012, 33(15):2290-2313.
[13] CAI H H, CHEN Y S, CUI X H, et al. High-resolution ¹H NMR spectroscopy of fish muscle, eggs and small whole fish via Hadamard-encoded intermolecular multiple-quantum coherence[J]. PLoS One, 2014, 9(1):e86422.
[14] 蔡宏浩. 核磁共振新技术在食品科学研究中的应用[D]. 厦门:厦门大学, 2015:20-35.
[15] 林玉兰. 不均匀磁场下超快速高分辨核磁共振波谱新技术[D]. 厦门:厦门大学, 2011:32-38.
[16] 王楚楚. 不均匀场下快速获取高分辨二维核磁共振谱的研究[D]. 厦门:厦门大学, 2015:1-19.
[17] WARREN W S, RICHTER W, ANDREOTTI A H, et al. Generation of impossible cross-peaks between bulk water and biomolecules in solution NMR[J]. Science, 1993, 262(5142):2005-2009.
[18] BRANCA R T. MRI using intermolecular multiple-quantum coherencesin vivo NMR imaging[D]. Methods Mol Biol, 2011, 771:241-52.
[19] CHEN Z, CHEN Z W, ZHONG J H. High-resolution NMR spectra in inhomogeneous fields via IDEAL (intermolecular dipolar-interaction enhanced all lines) method[J]. J Am Chem Soc, 2004, 126(2):446-447.
[20] 陈松. 异核分子间多量子相干核磁共振新技术及其应用[D]. 厦门:厦门大学, 2008:22-26.
[21] 陈志伟. 分子间多量子相干在液体NMR高分辨率谱中的应用和大脑嗅觉功能磁共振成像研究[D]. 厦门:厦门大学, 2007:8-15.
[22] 林玉兰, 蔡淑惠, 张志勇, 等. 单扫描获取不均匀场下高分辨分子间单量子相干谱[C]//中国物理学会. 第十七届全国波谱学学术会议论文集. 厦门:第十七届全国波谱学学术会议. 2012.
[23] JAYAPRAKASHA G K, PATIL B S. A metabolomics approach to identify and quantify the phytochemicals in watermelons by quantitative ¹H NMR[J]. Talanta, 2016, 153:268-277.
[24] CAPITANI D, MANNINA L, PROIETTI N, et al. Monitoring of metabolic profiling and water status of Hayward kiwifruits by nuclear magnetic resonance[J]. Talanta, 2010, 82(5):1826-1838.
[25] GIL A M, DUARTE I F, DELGADILLO I, et al. Study of the compositional changes of mango during ripening by use of nuclear magnetic resonance spectroscopy[J]. J Agri Food Chem, 2000, 48(5):1524-1536.
[26] 吴灿. 空间编码超快速二维相关磁共振谱方法研究[D]. 厦门:厦门大学, 2011:26-28.
[27] LIU M, QIU W Q, SUN H J, et al. Progress in the portable NMR spectrometer[J]. Chinese J Magn Reson, 2014, 31(4):504-514. 刘敏, 邱雯绮, 孙惠军, 等. 便携式核磁共振谱仪的研究进展[J]. 波谱学杂志, 2014, 31(4):504-514.