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Learning Material

Useful references and links to help you on different aspects on the field of metabolomics

The classics

1. Systematic functional analysis of the yeast genome

The first time in the literature that the word "metabolome"  is mentioned (analogous to the term genome).

Autores: Oliver, S. G., Winson, M. K., Kell, D. B., & Baganz, F.

Ano: 1998

2.'Metabonomics': understanding the metabolic responses of living systems to pathophysiological stimuli via multivariate statistical analysis of biological NMR spectroscopic data

The first time in the literature that the word "metabonomics" is used.

Autores: Nicholson, J. K., Lindon, J. C., & Holmes, E.

Ano: 1999

3. Metabolite profiling for plant functional genomics

A more specific book from the begining of plant metabolomics

Autores: Fiehn, O., Kopka, J., Dörmann, P., Altmann, T., Trethewey, R. N., & Willmitzer, L.

Ano: 2001

4. XCMS: Processing mass spectrometry data for metabolite profiling using nonlinear peak alignment, matching, and identification

A inauguração do XCMS, atualmente a maior plataforma "open access" para o pré-processamento de dados e muitos mais!

Autores: Smith, C. A., Want, E. J., O'Maille, G., Abagyan, R., & Siuzdak, G.

Ano: 2006

5. HMDB: the Human Metabolome Database

A primeira publicação da iniciativa HMDB. Um trabalho enorme e impressionante que hoje é sem dúvida a plataforma mais acessada na área.

Autores:  Wishart, D. S., D. Tzur, and C. Knox et al.

Ano: 2007

Books

1. Computational Methods and Data Analysis for Metabolomics

The book focuses on understanding and interpreting data generated in metabolomics. The book is a guide through data processing, use of databases, data analysis techniques, and integration with other types of data.

Edithor: Shuzhao Li

Year: 2020

2. Metabolomics: From Fundamentals to Clinical Applications

The book consists of a comprehensive overview of metabolomics, from basic concepts to sample preparation and analytical methodologies, as well as data interpretation and applications in medicine.

Edithor: Alessandra Sussulini

Ano: 2017

3. Metabolomics, Metabonomics and Metabolite Profiling

The authors provide  an introduction to the technology and methodology used in the field. The book, however, covers a wide range of topics and is intended to be useful for academics, students, technicians and professionals working in this area.

Edithor: William J. Griffiths

Ano: 2009

4. The Handbook of Metabonomics and Metabolomics

This book aims to present definitive work in this area. It includes the principles behind this science, the analytical and statistical techniques used, and a large number of application examples.

Editores: John C. Lindon, Elaine Holmes and Jeremy K. Nicholson

Ano: 2007

Reviews

A selection of some of the most cited publications in several sub-areas of metabolomics in the last 7 years (Source: Web of science)

1. NMR Spectroscopy for metabolomics research

Autores:  Emwas, A. H., Roy, R., McKay, R. T., Tenori, L., Saccenti, E., Gowda, G. A., ... & Wishart, D. S.

Ano: 2019

2. Challenges, progress and promises of metabolite annotation for LC-MS-based metabolomics

Autores: Chaleckis, R., Meister, I., Zhang, P., & Wheelock, C. E.

Ano: 2019

3. Integrated omics: tools, advances and future approaches

Autores: Misra, B. B., Langefeld, C., Olivier, M., & Cox, L. A.

Ano: 2019

4. The exposome: molecules to populations

Autores:  Niedzwiecki, M. M., Walker, D. I., Vermeulen, R., Chadeau-Hyam, M., Jones, D. P., & Miller, G. W.

Ano: 2019

5. Software tools and approaches for compound identification of LC-MS/MS data in metabolomics

Autores: Blaženović, I., Kind, T., Ji, J., & Fiehn, O.

Ano: 2018

6. Identification of small molecules using accurate mass MS/MS search

Autores: Blaženović, I., Kind, T., Ji, J., & Fiehn, O.

Ano: 2018

7. Guidelines and considerations for the use of system suitability and quality control samples in mass spectrometry assays applied in untargeted clinical metabolomic studies

Autores: Broadhurst, D., Goodacre, R., Reinke, S. N., Kuligowski, J., Wilson, I. D., Lewis, M. R., & Dunn, W. B.

Ano: 2018

8. Integrative omics for health and disease

Autores: Karczewski, K. J., & Snyder, M. P.

Ano: 2018

9. Quality assurance procedures for mass spectrometry untargeted metabolomics. a review

Autores: Dudzik, D., Barbas-Bernardos, C., García, A., & Barbas, C.

Ano: 2018

10. Multi-omics approaches to disease

Autores: Hasin, Y., Seldin, M., & Lusis, A.

Ano: 2017

11. The future of NMR-based metabolomics

Autores: Markley, J. L., Brüschweiler, R., Edison, A. S., Eghbalnia, H. R., Powers, R., Raftery, D., & Wishart, D. S.

Ano: 2017

12. Metabolomics and Metabolic Diseases: Where Do We Stand?

Autores: Newgard, C. B.

Ano: 2017

13. A review of blood sample handling and pre‐processing for metabolomics studies

Autores: Hernandes, V. V., Barbas, C., & Dudzik, D.

Ano: 2017

14. Plant metabolism, the diverse chemistry set of the future

Autores: Wurtzel, E. T., & Kutchan, T. M.

Ano: 2016

15. Non-targeted UHPLC-MS metabolomic data processing methods: a comparative investigation of normalisation, missing value imputation, transformation and scaling

Autores: Di Guida, R., Engel, J., Allwood, J. W., Weber, R. J., Jones, M. R., Sommer, U., ... & Dunn, W. B.

Ano: 2016

16. Microbiome-wide association studies link dynamic microbial consortia to disease

Autores: Gilbert, J. A., Quinn, R. A., Debelius, J., Xu, Z. Z., Morton, J., Garg, N., ... & Knight, R.

Ano: 2016

17. Emerging applications of metabolomics in drug discovery and precision medicine

Autores: Wishart, D. S.

Ano: 2016

18. Metabolomics: beyond biomarkers and towards mechanisms

Autores: Johnson, C. H., Ivanisevic, J., & Siuzdak, G.

Ano: 2016

19. Mass spectrometry imaging for plant biology: a review

Autores: Boughton, B. A., Thinagaran, D., Sarabia, D., Bacic, A., & Roessner, U.

Ano: 2016

20. Mass spectral databases for LC/MS- and GC/MS-based metabolomics: State of the field and future prospects

Autores: Vinaixa, M., Schymanski, E. L., Neumann, S., Navarro, M., Salek, R. M., & Yanes, O.

Ano: 2016

21. Chemometric methods in data processing of mass spectrometry-based metabolomics: A review

Autores: Yi, L., Dong, N., Yun, Y., Deng, B., Ren, D., Liu, S., & Liang, Y.

Ano: 2016

22. Current state of the art of mass spectrometry-based metabolomics studies – a review focusing on wide coverage, high throughput and easy identification

Autores: Wang, Y., Liu, S., Hu, Y., Li, P., & Wan, J. B.

Ano: 2015

23. Comprehensive analysis of lipids in biological systems by liquid chromatography-mass spectrometry

Autores: Cajka, T., & Fiehn, O.

Ano: 2015

Links

International organizations, data processing and metabolite identification platforms and much more!

General topics

1. Human Metabolome Database

Largest database of molecules, with descriptions, fragmentation spectra and much more.
 

2. XCMS

Platform for spectra pre-processing and statistical analysis.

3. Metaboanalyst

Platform widely used for statistical analysis and data visualization.

4. Metlin

Mainly focused on metabolite identification

5. Mummichog

It allows the search for features considering the different metabolic routes, without the need for prior identification of the metabolites.

6. ​Metabolomics Subject from Nature

Latest updates in the area in one of the most renowned journals in the scientific community.

7. ​GNPS

The Global Natural Products Social Molecular Networking is a webpage that aims to be an open-access knowledge base for organizing and sharing raw, processed, or annotated mass spectrometry data.
 

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