Repositori URV

Author, as appears in the article.: Picart-Armada, Sergio; Fernandez-Albert, Francesc; Vinaixa, Maria; Rodriguez, Miguel A; Aivio, Suvi; Stracker, Travis H; Yanes, Oscar; Perera-Lluna, Alexandre

Department: Enginyeria Electrònica, Elèctrica i Automàtica

URV's Author/s: Rodríguez Chacón, Matilde / Vinaixa Crevillent, Maria / Yanes Torrado, Óscar

Keywords: Tool Pathways Lc/ms

Abstract: Metabolomics experiments identify metabolites whose abundance varies as the conditions under study change. Pathway enrichment tools help in the identification of key metabolic processes and in building a plausible biological explanation for these variations. Although several methods are available for pathway enrichment using experimental evidence, metabolomics does not yet have a comprehensive overview in a network layout at multiple molecular levels. We propose a novel pathway enrichment procedure for analysing summary metabolomics data based on sub-network analysis in a graph representation of a reference database. Relevant entries are extracted from the database according to statistical measures over a null diffusive process that accounts for network topology and pathway crosstalk. Entries are reported as a sub-pathway network, including not only pathways, but also modules, enzymes, reactions and possibly other compound candidates for further analyses. This provides a richer biological context, suitable for generating new study hypotheses and potential enzymatic targets. Using this method, we report results from cells depleted for an uncharacterised mitochondrial gene using GC and LC-MS data and employing KEGG as a knowledge base. Partial validation is provided with NMR-based tracking of 13C glucose labelling of these cells.

Thematic Areas: Zootecnia / recursos pesqueiros Sociology Sociología Serviço social Saúde coletiva Química Psychology Psicología Planejamento urbano e regional / demografia Odontología Nutrição Multidisciplinary sciences Multidisciplinary Medicine (miscellaneous) Medicina veterinaria Medicina iii Medicina ii Medicina i Materiais Matemática / probabilidade e estatística Linguística e literatura Letras / linguística Interdisciplinary research in the social sciences Interdisciplinar Human geography and urban studies History & philosophy of science Historia Geografía Geociências General medicine General biochemistry,genetics and molecular biology General agricultural and biological sciences Farmacia Environmental studies Ensino Engenharias iv Engenharias iii Engenharias ii Engenharias i Enfermagem Educação física Educação Economia Direito Demography Comunicação e informação Ciências sociais aplicadas i Ciências biológicas iii Ciências biológicas ii Ciências biológicas i Ciências ambientais Ciências agrárias i Ciência política e relações internacionais Ciência de alimentos Ciência da computação Biotecnología Biology Biodiversidade Biochemistry, genetics and molecular biology (miscellaneous) Astronomia / física Arquitetura, urbanismo e design Archaeology Antropologia / arqueologia Anthropology Agricultural and biological sciences (miscellaneous) Administração, ciências contábeis e turismo Administração pública e de empresas, ciências contábeis e turismo

licence for use: https://creativecommons.org/licenses/by/3.0/es/

ISSN: 19326203

Author's mail: maria.vinaixa@urv.cat oscar.yanes@urv.cat matilde.rodriguez@urv.cat maria.vinaixa@urv.cat

Author identifier: 0000-0001-9804-0171 0000-0003-3695-7157 0000-0001-9804-0171

Record's date: 2024-10-12

Papper version: info:eu-repo/semantics/publishedVersion

Link to the original source: https://journals.plos.org/plosone/article?id=10.1371/journal.pone.0189012

Licence document URL: https://repositori.urv.cat/ca/proteccio-de-dades/

Papper original source: Plos One. 12 (12): 467-

APA: Picart-Armada, Sergio; Fernandez-Albert, Francesc; Vinaixa, Maria; Rodriguez, Miguel A; Aivio, Suvi; Stracker, Travis H; Yanes, Oscar; Perera-Lluna, A (2017). Null diffusion-based enrichment for metabolomics data. Plos One, 12(12), 467-. DOI: 10.1371/journal.pone.0189012

Article's DOI: 10.1371/journal.pone.0189012

Entity: Universitat Rovira i Virgili

Journal publication year: 2017

Publication Type: Journal Publications