Pattern Recognition-Based Approach for Identifying Metabolites in Nuclear Magnetic Resonance-Based Metabolomics

Analytical Chemistry

Volumn 87, Issue 14, 2015, Pages 7148-7155

  Dubey, Abhinav ^a   Rangarajan, Annapoorni ^a   Pal, Debnath ^a   Atreya, Hanudatta S ^a  

^a INDIAN INSTITUTE OF SCIENCE   (India)

Author keywords

[No Author keywords available]

Indexed keywords

BIOMOLECULES; CHEMICAL SHIFT; DATABASE SYSTEMS; INFORMATION RETRIEVAL; IONIC STRENGTH; METABOLITES; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PATTERN RECOGNITION; PH; SEARCH ENGINES;

CONVENTIONAL APPROACH; EXTERNAL STANDARDS; GEOMETRIC HASHING; NUCLEAR MAGNETIC RESONANCE(NMR); SCORING TECHNIQUES; SPECTRAL CALIBRATION; TEMPERATURE CONDITIONS; TEMPERATURE VARIATION;

NUCLEAR MAGNETIC RESONANCE;

BIOLOGICAL MARKER;

HUMAN; METABOLOME; METABOLOMICS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PH; TEMPERATURE;

BIOMARKERS; HUMANS; HYDROGEN-ION CONCENTRATION; MAGNETIC RESONANCE SPECTROSCOPY; METABOLOME; METABOLOMICS; TEMPERATURE;

EID: 84937715603     PISSN: 00032700     EISSN: 15206882     Source Type: Journal    
DOI: 10.1021/acs.analchem.5b00990     Document Type: Article

References (28)

1. Clayton, T. A.; Lindon, J. C.; Cloarec, O.; Antti, H.; Charuel, C.; Hanton, G.; Provost, J. P.; Le Net, J. L.; Baker, D.; Walley, R. J.; Everett, J. R.; Nicholson, J. K. Nature 2006, 440, 1073-1077
2. Kell, D. B. Curr. Opin. Microbiol. 2004, 7, 296-307
3. Kell, D. B. Drug Discovery Today 2006, 11, 1085-1092
4. Saito, K.; Matsuda, F. Annu. Rev. Plant Biol. 2010, 61, 463-489
5. Van Dien, S.; Schilling, C. H. Mol. Syst. Biol. 2006, 10.1038/msb4100078
6. Weckwerth, W. Bioanalysis 2010, 2, 829-836
7. Hao, J.; Liebeke, M.; Astle, W.; De Iorio, M.; Bundy, J. G.; Ebbels, T. M. Nat. Protoc. 2014, 9, 1416-1427
8. Guennec, A. L.; Giraudeau, P.; Caldarelli, S. Anal. Chem. 2014, 86, 5946-5954
9. Wishart, D. S.; Jewison, T.; Guo, A. C.; Wilson, M.; Knox, C.; Liu, Y.; Djoumbou, Y.; Mandal, R.; Aziat, F.; Dong, E.; Bouatra, S.; Sinelnikov, I.; Arndt, D.; Xia, J.; Liu, P.; Yallou, F.; Bjorndahl, T.; Perez-Pineiro, R.; Eisner, R.; Allen, F.; Neveu, V.; Greiner, R.; Scalbert, A. Nucleic Acids Res. 2013, 41, D801-807
10. Ulrich, E. L.; Akutsu, H.; Doreleijers, J. F.; Harano, Y.; Ioannidis, Y. E.; Lin, J.; Livny, M.; Mading, S.; Maziuk, D.; Miller, Z.; Nakatani, E.; Schulte, C. F.; Tolmie, D. E.; Kent Wenger, R.; Yao, H.; Markley, J. L. Nucleic Acids Res. 2008, 36, D402-408
11. Cui, Q.; Lewis, I. A.; Hegeman, A. D.; Anderson, M. E.; Li, J.; Schulte, C. F.; Westler, W. M.; Eghbalnia, H. R.; Sussman, M. R.; Markley, J. L. Nat. Biotechnol. 2008, 26, 162-164
12. Xia, J.; Bjorndahl, T. C.; Tang, P.; Wishart, D. S. BMC Bioinf. 2008, 9, 507
13. Bingol, K.; Li, D. W.; Bruschweiler-Li, L.; Cabrera, O. A.; Megraw, T.; Zhang, F.; Bruschweiler, R. ACS Chem. Biol. 2015, 10, 452-459
14. Pudakalakatti, S. M.; Dubey, A.; Jaipuria, G.; Shubhashree, U.; Adiga, S. K.; Moskau, D.; Atreya, H. S. J. Biomol. NMR 2014, 58, 165-173
15. Nagana Gowda, G. A.; Gowda, Y. N.; Raftery, D. Anal. Chem. 2015, 87, 706-715
16. Giraudeau, P. Magn. Reson. Chem. 2014, 52, 259-272
17. Tannock, I. F.; Rotin, D. Cancer Res. 1989, 49, 4373-4384
18. Issaq, H. J.; Veenstra, T. D. Proteomic and Metabolomic Approaches to Biomarker Discovery; Elsevier Science: San Diego, CA, 2013.
19. Shimizu, A.; Ikeguchi, M.; Sugai, S. J. Biomol NMR 1994, 4, 859-862
20. Lam, Y.-F.; Kotowycz, G. FEBS Lett. 1977, 78, 181-183
21. Chikayama, E.; Suto, M.; Nishihara, T.; Shinozaki, K.; Kikuchi, J. PloS One 2008, 3 e3805
22. Wolfson, H. J.; Rigoutsos, I. IEEE Comput. Sci. Eng. 1997, 4, 10-21
23. Wolfson, H. J. Computer Vision-ECCV 90: First European Conference on Computer Vision. Antibes, France, April 23-27, 1990; pp 526-536
24. Chikayama, E.; Sekiyama, Y.; Okamoto, M.; Nakanishi, Y.; Tsuboi, Y.; Akiyama, K.; Saito, K.; Shinozaki, K.; Kikuchi, J. Anal. Chem. 2010, 82, 1653-1658
25. Chignola, F.; Mari, S.; Stevens, T. J.; Fogh, R. H.; Mannella, V.; Boucher, W.; Musco, G. Bioinformatics 2011, 27, 885-886
26. Vranken, W. F.; Boucher, W.; Stevens, T. J.; Fogh, R. H.; Pajon, A.; Llinas, M.; Ulrich, E. L.; Markley, J. L.; Ionides, J.; Laue, E. D. Proteins: Struct., Funct., Bioinf. 2005, 59, 687-696
27. Keller, R. CARA: computer aided resonance assignment. http://cara.nmr.ch/, 2004.
28. Bingol, K.; Bruschweiler-Li, L.; Li, D. W.; Bruschweiler, R. Anal. Chem. 2014, 86, 5494-5501