Ràfols P, Torres S, Ramírez N, Del Castillo E, Yanes O, Brezmes J, Correig X. rMSI: an R package for MS imaging data handling and visualization. Bioinformatics. 2017 Mar 29. doi:10.1093/bioinformatics/btx182.

Barrilero R, Ramírez N, Vallvé JC , Taverner D, Fuertes R, Amigó N, Correig X. Unravelling and Quantifying the “NMR-Invisible” Metabolites Interacting with Human Serum Albumin by Binding Competition and T2 Relaxation-Based Decomposition Analysis. J Proteome Res. 2017 Apr 4. doi: 10.1021/acs.jproteome.6b00814.

Dias CB, Amigó N, Wood LG, Mallol R, Correig X, Garg ML. Improvement of the omega 3 index of healthy subjects does not alter the effects of dietary saturated fats or n-6PUFA on LDL profiles. Metabolism. 2017 Mar;68:11-19. doi: 10.1016/j.metabol.2016.11.014.

Aguilar-Mogas A, Sales-Pardo M, Navarro M, Guimerà R, Yanes O. iMet: A Network-Based Computational Tool To Assist in the Annotation of Metabolites from Tandem Mass Spectra. Anal Chem. 2017 Mar 21;89(6):3474-3482. doi: 10.1021/acs.analchem.6b04512.

Vinaixa M, Rodríguez MA, Aivio S, Capellades J, Gómez J, Canyellas N, Stracker TH, Yanes O. Positional Enrichment by Proton Analysis (PEPA): A One-Dimensional 1 H-NMR Approach for 13 C Stable Isotope Tracer Studies in Metabolomics. Angew Chem Int Ed Engl. 2017 Mar 20;56(13):3531-3535. doi: 10.1002/anie.201611347.

Cacciatore S, Zadra G, Bango C, Penney KL, Tyekucheva S, Yanes O, Loda M. Metabolic Profiling in Formalin-Fixed and Paraffin-Embedded Prostate Cancer Tissues. Mol Cancer Res. 2017 Apr; 15(4): 439-447. doi: 10.1158/1541-7786.MCR-16-0262.


Domingo-Almenara X, Perera A,  Brezmes J.  Avoiding hard chromatographic segmentation: A moving window approach for the automated resolution of gas chromatography–mass spectrometry-based metabolomics signals by multivariate methods. Journal of Chromatography A,  Vol. 1474 (2016) 145–151. doi: 10.1016/j.chroma.2016.10.066

Gorji-Chakespari A, Nikbakht AM, Sefidkon F, Ghasemi-Varnamkhasti M, Brezmes J, Llobet E. Performance Comparison of Fuzzy ARTMAP and LDA in Qualitative Classification of Iranian Rosa damascena Essential Oils by an Electronic Nose. Sensors (Basel). 2016 May 4;16(5). pii: E636.

Amigo N, Fuertes R, Cabre C, Vinaixa M, Romeu M, Munoz M, Giralt M, Soler J, Aguilera J, Compte MT, Correig X, Martinez-Vea A. Pro-Atherogenic lipoprotein profile associated with white watter lesions in chronic kidney disease patients: A 1h-Nmr Metabolomic Approach. Atherosclerosis. 2016 Sep 252: e223-e224

Amigo N, Fuertes R, Cabre C, Vinaixa M, Romeu M, Munoz M, Giralt M, Soler J, Aguilera J, Compte MT, Correig X, Martinez-Vea A. Metabolomic approach to white matter lesions in chronic hemodialysis patients identifies a novel metabolic profile associated with these lesions. Nephrology Dialysis Transplantation (2016) 31 (suppl_1): i25

Temprano A, Sembongi H, Han GS, Sebastián D, Capellades J, Moreno C, Guardiola J, Wabitsch M, Richart C, Yanes O, Zorzano A, Carman GM, Siniossoglou S, Miranda M. Redundant roles of the phosphatidate phosphatase family in triacylglycerol synthesis in human adipocytes. Diabetologia. 2016 Jun 25. doi:10.1007/s00125-016-4018-0

Temprano A, Sembongi H, Han GS, Sebastián D, Capellades J, Moreno C, Guardiola J, Wabitsch M, Richart C, Yanes O, Zorzano A, Carman GM, Siniossoglou S, Miranda M. ADP-ribose-derived nuclear ATP synthesis by NUDIX5 is required for chromatin remodeling. Diabetologia. 2016 Sep;59(9):1985-94

Ratajczak J, Joffraud M, Trammell S, Ras R, Canela N, Boutant M, Kulkarni S, Rodrigues M, Redpath P, Migaud M, Auwerx J, Yanes O, Brenner C, Canto C. NRK1 controls nicotinamide mononucleotide and nicotinamide riboside metabolism in mammalian cells. Nature Communications, 2016. doi:10.1038/ncomms13103

Wright RH, Lioutas A, Le Dily F, Soronellas D, Pohl A, Bonet J, Nacht AS, Samino S, Font-Mateu J, Vicent GP, Wierer M, Trabado MA, Schelhorn C, Carolis C, Macias MJ, Yanes O, Oliva B, Beato M. ADP-ribose-derived nuclear ATP synthesis by NUDIX5 is required for chromatin remodeling. Science. 2016 Jun 3;352(6290):1221-5. doi: 10.1126/science.aad9335

Ràfols P, Vilalta D, Brezmes J, Cañellas N, del Castillo E, Yanes O, Ramírez N, Correig X. Signal preprocessing, multivariate analysis and software tools for MA(LDI)-TOF mass spectrometry imaging for biological applications. Mass Spectrometry Reviews, 2016. doi:10.1002/mas.21527

Domingo-Almenara X, Brezmes J, Vinaixa M, Samino S, Ramirez N, Ramon-Krauel M, Lerin C, Díaz M, Ibáñez L, Correig X, Perera-Lluna A, Yanes O. eRah: A computational tool integrating spectral deconvolution and alignment with quantification and identification of metabolites in GC-MS-based metabolomics. Analytical Chemistry, 88 (2016) 9821-9829. doi: 10.1021/acs.analchem.6b02927

Domingo-Almenara X, Perera A, Ramirez N, Brezmes J. Automated resolution of chromatographic signals by independent component analysis–orthogonal signal deconvolution in comprehensive gas chromatography/mass spectrometry-based metabolomics. Computer Methods and Programs in Biomedicine Vol. 130 (2016) 135-141. doi: 10.1016/j.cmpb.2016.03.007

Aragonès G, Suárez M, Ardid-Ruiz, Vinaixa M, Rodríguez MA, Correig X, Arola L, Bladé C. Dietary proanthocyanidins boost hepatic NAD + metabolism and SIRT1 expression and activity in a dose-dependent manner in healthy rats. Scientific Reports, Volume 6, 22 April 2016, Article number 24977.

Alonso A, Julià A, Vinaixa M, Domènech E, Fernández-Nebro A, Cañete JD, Ferrándiz , Tornero J, Gisbert JP, Nos P, Casbas AG, Puig L, González-Álvaro I, Pinto-Tasende JA, Blanco R, Rodríguez MA, Beltran A, Correig X, Marsal S; IMID Consortium. Urine metabolome profiling of immune-mediated inflammatory diseases. BMC Med. 2016 Sep 8;14(1):133. doi: 10.1186/s12916-016-0681-8

Slebe F, Rojo F, Vinaixa M, García-Rocha M, Testoni G, Guiu M, Planet E, Samino S, Arenas EJ, Beltran A, Rovira A, Lluch A, Salvatella X, Yanes O, Albanell J, Guinovart JJ, Gomis RR. FoxA and LIPG endothelial lipase control the uptake of extracellular lipids for breast cancer growth. Nat Commun. 2016 Apr 5;7:11199. doi: 10.1038/ncomms11199.

Vinaixa M, Schymanski EL, Neumann S, Navarro M, Salek RM, Yanes O. Mass spectral databases for LC/MS and GC/MS-based metabolomics: state of the field and future prospects. Trends in Analytical Chemistry, Volume 78, April 01, pages 23-35, 2016.

Amigó N, Mallol R, Heras M, Martínez-Hervás S, Blanco-Vaca F, Escolà-Gil JC, Plana N, Yanes Ó, Masana L, Correig X. Lipoprotein hydrophobic core lipids are partially extruded to surface in smaller HDL: “Herniated” HDL, a common feature in diabetes. Sci Rep. 2016 Jan 18;6:19249. doi: 10.1038/srep19249.

Ceperuelo-Mallafre V, Ejarque M, Duran X, Montori-Grau M, Rodríguez MA, Yanes O, Núñez-Roa C, Roche K, Garrido-Sánchez L, Saez E, Tinahones FJ, Gómez-Foix A, Vendrell J, Fernández-Veledo S. Adipose tissue glycogen accumulation is associated with obesity-linked inflammation in humans. Molecular Metabolism, Jan 2016; doi: 10.1016/j.molmet.2015.10.001.

Capellades J, Navarro M, Samino S, Garcia-Ramirez M, Hernandez C, Simo R, Vinaixa M, Yanes O. geoRge: a computational tool to detect the presence of stable isotope labeling in LC/MS-based untargeted metabolomics. Analytical Chemistry, 2016 Jan 5;88(1):621-8.


Ramírez N., Vallecillos L., Lewis A.C., Borrull F., Marcé R.M., Hamilton J.F. Comparative study of comprehensive gas chromatography-nitrogen chemiluminescence detection and gas chromatography-ion trap-tandem mass spectrometry for determining nicotine and carcinogen organic nitrogen compounds in thirdhand tobacco smoke. Journal of Chromatography A, 2015,

Barrilero R,  Llobet E, Mallol R, Brezmes J, Masana Ll, Zulet MA, Martínez JA, Ribalta J, Bulló M,  Correig X. Design and evaluation of standard lipid prediction models based on 1H-NMR spectroscopy of human serum/plasma samples.  Metabolomics, Volume 11, Issue 5, pp 1394-1404.

Naomi J. Farren, Noelia Ramírez, James D. Lee, Emanuela Finessi, Alastair C. Lewis, Jacqueline F. Hamilton. Estimated exposure risks from carcinogenic nitrosamines in urban airborne particulate matter. Environ. Sci. Technol. 2015, 49, 9648−9656, DOI: 10.1021/acs.est.5b01620

Valli A, Rodriguez M, Moutsianas L, Fischer R, Fedele V, Huang HL, Van Stiphout R, Jones D, Mccarthy M, Vinaxia M, Igarashi K, Sato M, Soga T, Buffa F, Mccullagh J, Yanes O, Harris A, Kessler B. Hypoxia induces a lipogenic cancer cell phenotype via HIF1a-dependent and -independent pathways. Oncotarget. 2015 Feb 10;6(4):1920-41.

C. Paiva, A. Amaral, M. Rodriguez, N. Canyellas, X. Correig, J. L. Ballescà, J. Ramalho-Santos R. Oliva. Identification of endogenous metabolites in human sperm cells using 1H-NMR and GC-MS. Andrology, 3(3):496-505, 2015.DOI 10.1111/andr.12027

Brugnara L, Mallol R, Ribalta J, Vinaixa M, Murillo S, Casserras T, Guardiola M, Vallvé JC, Kalko SG, Correig X, Novials A. Improving assessment of lipoprotein profile in type 1 diabetes by 1H NMR spectroscopy. PLoS One, Aug 28;10(8):e0136348. doi: 10.1371/journal.pone.0136348. eCollection 2015.

Samino S, Vinaixa M, Díaz M, Beltran A, Rodríguez M.A., Mallol R, Heras M, Cabre A, Garcia L, Canela N, de Zegher F, Correig X, Ibáñez L, Yanes O. Metabolomics reveals impaired maturation of HDL particles in adolescents with hyperinsulinaemic androgen excess. Scientific Reports, volume 5, Article number: 11496 (2015)  doi:10.1038/srep11496

Gómez J, Vinaixa M, Rodríguez M.A., Salek R.M., Correig X, Cañellas N. Dolphin 1D: Improving automation of targeted metabolomics in multi-matrix datasets of 1H-NMR spectra. Advances in Intelligent Systems and Computing, Volume 375, p. 59-67 (2015). R. Overbeek et al. (eds.), 9th International Conference on Practical Applications of Computational Biology and Bioinformatics, PACBB 2015; Salamanca; Spain; 3 June 2015 through 5 June 2015; Code 119519

Calvo, N., Beltrán-Debón, R., Rodríguez-Gallego, E., Hernández-Aguilera, A., Guirro, M., Mariné-Casadó, R., Millá, L., Alegret, J.M., Sabench, F., Del Castillo, D., Vinaixa, M., Rodríguez, M.À., Correig, X., García-Álvarez, R., Menendez, J.A., Camps, J., Joven, J. Liver fat deposition and mitochondrial dysfunction in morbid obesity: An approach combining metabolomics with liver imaging and histology. World Journal of Gastroenterology, 21 (24), pp. 7529-7544, 2015.

Domingo-Almenara X, Perera A, Ramirez N, Cañellas N, Correig X, Brezmes J. Compound identification in gas chromatography/mass spectrometry-based metabolomics by blind source separation. Journal of Chromatography A (2015). Vol. 1409: 226-233. doi: 10.1016/j.chroma.2015.07.044.

Hernández-Alonso P, Salas-Salvadó J, Baldrich-Mora M, Mallol R, Correig X, Bulló M. Effect of pistachio consumption on plasma lipoprotein subclasses in pre-diabetic subjects. Nutr Metab Cardiovasc Dis. 2015 Apr;25(4):396-402. doi: 10.1016/j.numecd.2015.01.013. Epub 2015 Feb 7.

Mallol R, Amigó N, Rodríguez MA, Heras M, Vinaixa M, Plana N, Rock E, Ribalta J, Yanes O, Masana L, Correig C. Liposcale: a novel advanced lipoprotein test based on 2D diffusion-ordered 1H NMR spectroscopy. Journal of Lipid Research, 2015 Mar;56(3):737-46. doi: 10.1194/jlr.D050120. Epub 2015 Jan 7.

Masana, L.; Cabré, A.; Heras, M.; Amigó, N.; Correig, X.; Martínez-Hervás, S.; Real, J.T.; Ascaso, J.F.; Quesada, H.; Julve, J.; Palomer, X.; Vázquez-Carrera, M.; Girona, J.; Plana, N.; Blanco-Vaca, F. Remarkable quantitative and qualitative differences in HDL after niacin or fenofibrate therapy in type 2 diabetic patients. Atherosclerosis, 238 (2), p.213-219, 2015


Gómez, J.; Brezmes, J.; Mallol, R.; Rodríguez, M.A.; Vinaixa, M.; Salek, R.M.;Correig, X.; Cañellas, N. Dolphin: a tool for automatic targeted metabolite profiling using 1D and 2D 1H-NMR data. Analytical and Bioanalytical Chemistry, 406 (30), pp. 7967-7976, 2014.

Beltran, A.; Samino, S.Y.; Yanes, O.  Sample Preparation Methods for LC-MS-Based Global Aqueous Metabolite Profiling. Methods Mol Biol. 2014;1198:75-80. doi: 10.1007/978-1-4939-1258-2_5

Saez, I.; Duran, J.; Sinadinos, C.; Beltran, A.; Yanes, O.; Tevy, MF; Martínez-Pons, C.; Milán, M.; Guinovart, JJ. Neurons have an active glycogen metabolism that contributes to tolerance to hypoxia. J Cereb Blood Flow Metab, 2014, Feb 26. doi: 10.1038/jcbfm.2014.33.

Brugnara, L.; Vinaixa, M.; Murillo, S.; Samino, S.; Rodriguez, M.A.; Beltran, A.; Lerin, C.; Davison, G.; Correig, X.; Novials, A. Metabolomics approach for analyzing the effects of exercise in subjects with type 1 diabetes mellitus  (Note). Diabetes Technology & Therapeutics, 16-1, p. S95-S96, 2014.

Alonso, A.; Rodríguez, M.A.; Vinaixa, M.; Tortosa, R.; Correig, X.;  Julià, A.;  Marsal, S. Focus: A robust workflow for one-dimensional NMR spectral analysis. Analytical Chemistry, 86-2, p.1160-1169, 2014.

Hanzu, F. A.; Vinaixa, M.; Papageorgiou, A.; Parrizas, M.; Correig, X.; Delgado, S.; Carmona, F.; Samino, S.; Vidal, J.; Gomis, R. Obesity rather than regional fat depots marks the metabolomic pattern of adipose tissue: An untargeted metabolomic approach. Obesity, 22 (3), P. 698‐704, 2014.

Malpique, R.; Figueiredo, H.; Esteban, Y.; Rebuffat, S.; Hanzu, F.; Vinaixa, M.; Yanes, O.; Correig, X.; Barceló‐Batllori, S.; Gasa, R.; Kalko, S.G.; Gomis, R. . Integrative analysis reveals novel pathways mediating the interaction between adipose tissue and pancreatic islets in obesity in rats. Diabetologia, 57-6, p. 1219-1231, 2014.


Bondia-Pons, I., Cañellas, N., Abete, I., Rodríguez, M.A., Perez-Cornago, A., Navas-Carretero, S., Zulet, M.A., Correig, X., Martínez, J.A. Nutri-metabolomics: Subtle serum metabolic differences in healthy subjects by nmr-based metabolomics after a short-term nutritional intervention with two tomato sauces. OMICS A Journal of Integrative Biology, 17 (12), 611-618, 2013.

Samino, S.; Revuelta-Cervantes, J.; Vinaixa, M.;Rodríguez, M.Á.Valverde, Á.M.; Correig, X. A 1H NMR metabolic profiling to the assessment of protein tyrosine phosphatase 1B role in liver regeneration after partial hepatectomy. Biochimie, 95 (4), 808-816, 2013.

Mallol, R.; Rodriguez, M.A.; Brezmes, J.; Masana, L.; Correig, X. Human serum/plasma lipoprotein analysis by NMR: Application to the study of diabetic dyslipidemia. Progress in Nuclear Magnetic Resonance Spectroscopy, 70, 1-24, 2013.

Cañellas, N.; Solà-Alberich, R.; Brezmes, J.; Mallol, R.; Valls, R.M.; Rodríguez, M.A; Vinaixa, M.; Anguera, A.; Correig, X. Use of multivariate chemometric algorithms on 1H NMR data to assess a soluble fiber (Plantago ovata husk) nutritional intervention. Chemometrics and Intelligent Laboratory Systems, 121, 1-8, 2013.

Catalan, U; Rodriguez, MA; Ras, MR;  Maciá, A.; Mallol, R.; Vinaixa, M.; Fernández-Castillejo, S.; Valls, R.M.; Pedret, A.; Griffin, J.L.; Salek, R.; Correig, X.; Motilva, M.J.; Sola, R. Biomarkers of food intake and metabolite differences between plasma and red blood cell matrices; a human metabolomic profile approach. Molecular Biosystems, 9 (6), 1411-1422, 2013.

Yanes O. Metabolomics: Playing piñata with single cells. Nature Chemical Biology2013, 9(8):471-3. doi: 10.1038/nchembio.1297


Vinaixa M, Samino S, Saez I, Duran J, Guinovart JJ, Yanes O. A guideline to univariate statistical analysis for LC/MS-based untargeted metabolomics-derived data. Metabolites, 2012, 2(4), 775-795; doi:10.3390/metabo2040775

Panopoulos AD, Yanes O, Ruiz S, Kida YS, Diep D, Tautenhahn R, Herrerías A, Batchelder EM, Plongthongkum N, Lutz M, Berggren WT, Zhang K, Evans RM, Siuzdak G, Izpisua Belmonte JC. The metabolome of induced pluripotent stem cells reveals metabolic changes occurring in somatic cell reprogramming. Cell Res, 22, 168-177 (2012)

Brugnara L, Vinaixa M, Murillo S, Samino S, Rodriguez MA, Beltran A, Lerin C, Davison G, Correig X, Novials A. Metabolomics Approach for Analyzing the Effects of Exercise in Subjects with Type 1 Diabetes Mellitus. PLoS One. 2012; 7(7): e40600.

Beltran A, Suárez M, Rodríguez MA, Vinaixa M, Samino S, Arola L, Correig X, Yanes O. Assessment of compatibility between extraction methods for NMR- and LC/MS-based metabolomics. Anal Chem. 2012 Jul 17;84(14):5838-44. Epub 2012 Jun 26.

Vázquez-Fresno R, Llorach R, Alcaro F, Rodríguez MA, Vinaixa M, Chiva G, Estruch R, Correig X, Andrés-Lacueva C. 1H-NMR based metabolomics analysis of the effect of moderate wine consumption in subjects with cardiovascular risk factors. Electrophoresis, 33 (15) , pp. 2345-2354, 2012.

Escobar-Morreale HF, Samino S, Insenser M, Vinaixa M, Luque-Ramirez M, Lasunción MA, Correig X. Metabolic heterogeneity in polycystic ovary syndrome is determined by obesity: plasma metabolomic approach using gas chromatography-mass spectrometry. Clin Chem. 2012 Jun;58(6):999-1009.

Calavia R, Annanouch F, Correig X, Yanes O.  Nanostructure Initiator Mass Spectrometry for Tissue Imaging in Metabolomics: Future Prospects and Perspectives. Journal of Proteomics, 2012. May 9. PMID: 22580361

Patti GJ, Yanes O, Siuzdak G. Innovation: Metabolomics: The Apogee of the Omic Trilogy. Nature Reviews Molecular Cell Biology. 2012, (13), 263-269. doi: 10.1038/nrm3314.

Patti GJ; Yanes O; Shriver L; Courade JP; Tautenhahn R; Manchester M; Siuzdak G.  Metabolomics implicates altered sphingolipids in chronic pain of neuropathic origin, Nature Chemical Biology, 2012 Jan 22. doi: 10.1038/nchembio.767.

Mallol R, Rodríguez MA, Heras M, Vinaixa M, Plana N, Masana Ll, Morris GA,  Correig X. Particle Size Measurement of Lipoprotein Fractions Using Diffusion-Ordered NMR Spectroscopy. Analytical and Bioanalytical Chemistry. 2012, 402 (7), pp. 2407-2415.


Vinaixa M, Rodríguez MA,Samino S, Díaz M, Beltran A, Mallol R, Bladé C, Ibañez L, Correig X, Yanes O. Metabolomics reveals reduction of metabolic oxidation in women with polycystic ovary syndrome after pioglitazone-flutamide-metformin polytherapy. PLoS ONE. 2011; 6 (12) , art. no. e29052.

Alonso A, Julià A, Beltran A, Vinaixa M, Díaz M, Ibañez L, Correig X, Marsal S. AStream: an R package for annotating LC/MS metabolomic data. Bioinformatics. 2011 May 1;27(9):1339-40.

Mallol R, Rodríguez M A., Heras M, Vinaixa M, Cañellas N, Brezmes J, Plana N, Masana Ll, Correig X. Surface fitting of 2D diffusion-edited 1H NMR spectroscopy data 3 for the characterisation of human plasma lipoproteins. Metabolomics. 2011; 7 (4) , pp. 572-582 .

Yanes O,  Tautenhahn R, Patti GJ, Siuzdak G. Expanding Coverage of the Metabolome for Global Metabolite Profiling. Anal Chem. 2011; 83(6), pp 2152-2161.


Vinaixa M, Rodriguez MA, Rull A, Beltran R, Blade C, Brezmes J, Canellas N, Joven J, Correig X. Metabolic Assessment of the Effect of Dietary Cholesterol in the Progressive Development of Fatty Liver Disease, Journal of Proteome Research. 2010; 9 (5), pp 2527-2538.

Burian C,  Brezmes J,  Vinaixa M,  Cañellas N,  Llobet E, Vilanova  X, Correig X. MS-electronic nose performance improvement using the retention time dimension and two-way and three-way data processing methods. Sensors and Actuators B: Chemical, 143, n.2, p.759-768, 2010.


Rull A, Vinaixa M, Rodríguez MA, Beltrán R, Brezmes J, Cañellas N, Correig  X, Joven J. Metabolic phenotyping of genetically modified mice: An NMR metabonomic approach, BIOCHIMIE, Vol. 91(8), 1053-1057, (2009).