| Título: | Spectral Deconvolution for Gas Chromatography Mass Spectrometry-Based Metabolomics: Current Status and Future Perspectives |
| Autores: |
Du, Xiuxia; University of North Carolina at Charlotte Zeisel, Steven H; University of North Carolina at Chapel Hill |
| Fecha: | 2013-06-28 |
| Publicador: | Computacional and structural biotechnology journal |
| Fuente: |
 |
| Tipo: |
info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion Peer-reviewed Article |
| Tema: | No aplica |
| Descripción: | Mass spectrometry coupled to gas chromatography (GC-MS) has been widely applied in the field of metabolomics. Success of this application has benefited greatly from computational workflows that process the complex raw mass spectrometry data and extract the qualitative and quantitative information of metabolites. Among the computational algorithms within a workflow, deconvolution is critical since it reconstructs a pure mass spectrum for each component that the mass spectrometer observes. Based on the pure spectrum, the corresponding component can be eventually identified and quantified. Deconvolution is challenging due to the existence of co-elution. In this review, we focus on progress that has been made in the development of deconvolution algorithms and provide thoughts on future developments that will expand the application of GC-MS in metabolomics. |
| Idioma: | Inglés |
1 Systems biology and metabolic engineering of Arthrospira cell factories por Klanchui, Amornpan,Vorapreeda, Tayvich,Vongsangnak, Wanwipa,Kannapho, Chiraphan,Cheevadhanarak, Supapon,Meechai, Asawin | 6 The Role of INDY in Metabolic Regulation por Willmes, Diana M; Charité University School of Medicine Berlin,Birkenfeld, Andreas L; Charité University School of Medicine Berlin |
2 Structure-based Methods for Computational Protein Functional Site Prediction por KC, Dukka B; North Carolina A&T State University | 7 The Biochemistry of Vitreoscilla hemoglobin por Stark, Benjamin C.; Illinois Institute of Technology,Dikshit, Kanak L.; Institute of Microbial Technology,Pagilla, Krishna R.; Illinois Institute of Technology |
3 Computer-Aided Protein Directed Evolution: a Review of Web Servers, Databases and other Computational Tools for Protein Engineering por Verma, Rajni; Jacobs University Bremen,Schwaneberg, Ulrich; RWTH Aachen University,Roccatano, Danilo; Jacobs University Bremen | 8 A method to predict edge strands in beta-sheets from protein sequences por Guilloux, Antonin,Caudron, Bernard,Jestin, Jean-Luc |
4 MD simulation studies to investigate iso-energetic conformational behaviour of modified nucleosides m2G and m22G present in tRNA por Bavi, Rohit S,Sambhare, Susmit B,Sonawane, Kailas D; Structural Bioinformatics Unit,
Department of Biochemistry,
Shivaji University, Kolhapur 416 004,
Maharashtra (M.S.), India. | 9 Conformational Sampling in Template-Free Protein Loop Structure Modeling: An Overview por Li, Yaohang; Old Dominion University |
5 Metabolomics in the identification of biomarkers of dietary intake por O’Gorman, Aoife,Gibbons, Helena,Brennan, Lorraine | 10 Development of microorganisms for cellulose-biofuel consolidated bioprocessings: metabolic engineers’ tricks por Mazzoli, Roberto; University of Torino, Italy. |