观点:使用和重复使用基于NMR的代谢学数据:什么有效,什么仍然具有挑战性
Goncalo Jorge Gouveia1,2, Thomas Head1,3, Leo L Cheng1,4
1Metabolomics Association of North America (MANA), NMR Special Interest Group, Edmonton, Canada.
Metabolomics : Official journal of the Metabolomic Society
|March 14, 2024
概括
提供了对代谢学数据管理的建议,以加强数据的重复使用和整合. 这些指导方针旨在最大限度地提高代谢学和多奥米学研究的科学影响.
科学领域:
- 代谢学 代谢学 代谢学
- 数据科学数据科学数据科学
- 生物信息学是一种生物信息学.
背景情况:
- 国家癌症研究所 (NCI) 通过信息请求 (RFI) 征求有关代谢学数据的使用和重复使用的意见.
- 该RFI强调了在代谢学数据存储,管理和可访问性方面需要最佳实践.
研究的目的:
- 为代谢学数据集的存储,存档,使用和重用提供建议.
- 增强代谢学数据的实用性和多omics数据集成.
- 增加代谢学研究的整体科学影响.
主要方法:
- 北美代谢学协会 (MANA) 的核磁共振 (NMR) 兴趣小组制定了建议.
- 建议是基于MANA研究人员在处理各种代谢学数据集方面的集体经验.
- 考虑代谢学的实验 (例如,NMR/MS数据采集) 和计算 (例如,数据分析,整合) 方面.
主要成果:
- 概述了关于代谢学数据使用和再利用的集体观点.
- 阐述了几项关于代谢学数据管理最佳实践的建议.
- 提供了指导方针,以鼓励研究人员最大限度地利用数据.
结论:
- 实施这些建议将加强对代谢学数据管理的努力.
- 加强数据共享和重复使用将促进多领域的整合.
- 这些实践有望显著提高代谢学研究的科学影响.
相关概念视频
01:25Applications Of NMR In Biology
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Nuclear magnetic resonance (NMR) spectroscopy is a very valuable analytical technique for researchers. It has been used for more than 50 years as an analytical tool. F. Bloch and E. Purcell formulated NMR in 1946 and won the 1952 Nobel Prize in Physics for their work. Biological macromolecules such as proteins, nucleic acids, lipids, and organic molecules including pharmaceutical compounds, can be studied using this versatile tool that exploits the magnetic properties of certain nuclei.
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01:12Two-Dimensional (2D) NMR: Overview
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The 1D NMR spectrum of large and complex molecules like natural products has complicated splitting patterns and overlapping signals, which can be easily interpreted using 2-dimensional (2D) NMR. Unlike 1D NMR, 2D NMR has two frequency axes that provide the coupling information between the nucleus A and nucleus B in a molecule. The process from which 2D spectra are obtained has four steps.
The first step is the preparation period, during which nucleus A is excited with a radiofrequency pulse....
The first step is the preparation period, during which nucleus A is excited with a radiofrequency pulse....
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