Application of fast Fourier transform cross-correlation and mass spectrometry data for accurate alignment of chromatograms

Journal of Chromatography A

Volumn 1286, Issue , 2013, Pages 175-182

  Zheng, Yi Bao ^a   Zhang, Zhi Min ^a   Liang, Yi Zeng ^a   Zhan, De Jian ^a   Huang, Jian Hua ^a   Yun, Yong Huan ^a   Xie, Hua Lin ^a  

^a CENTRAL SOUTH UNIVERSITY   (China)

Author keywords

Chromatography; Cross correlation; Fast Fourier transform; Gas chromatography mass spectrometry; Liquid chromatograph mass spectrometer; Peak alignment

Indexed keywords

ANALYTICAL LABORATORIES; CHROMATOGRAPHIC PROFILES; CONTINUOUS WAVELET TRANSFORMS; CROSS CORRELATIONS; EXPERIMENTAL CONDITIONS; GAS CHROMATOGRAPHY-MASS SPECTROMETRY; MASS SPECTROMETRY DATA; PEAK ALIGNMENTS;

ALGORITHMS; CAMS; CHROMATOGRAPHIC ANALYSIS; CHROMATOGRAPHY; FAST FOURIER TRANSFORMS; GAS CHROMATOGRAPHY; INFORMATION USE; LABORATORIES; MASS SPECTROMETERS; MASS SPECTROMETRY;

ALIGNMENT;

ACCURACY; ALGORITHM; ANALYTIC METHOD; ARTICLE; EXTRACTION; FOURIER TRANSFORMATION; GAS CHROMATOGRAPHY; LIQUID CHROMATOGRAPHY; MASS SPECTROMETRY; PRIORITY JOURNAL; SIMULATION; VALIDATION PROCESS;

ALGORITHMS; ANIMALS; COMPUTER SIMULATION; DATABASES, FACTUAL; FOURIER ANALYSIS; GAS CHROMATOGRAPHY-MASS SPECTROMETRY; MODELS, CHEMICAL; RATS; SERUM; WAVELET ANALYSIS;

EID: 84875501500     PISSN: 00219673     EISSN: 18733778     Source Type: Journal    
DOI: 10.1016/j.chroma.2013.02.063     Document Type: Article

References (48)

1. Prasad S., Pierce K.M., Schmidt H., Rao J.V., Guth R., Bader S., Synovec R.E., Smith G.B., Eiceman G.A. Analyst 2007, 132:1031.
2. Black R.M., Clarke R.J., Cooper D.B., Read R.W., Utley D. J. Chromatogr. 1993, 637:71.
3. Saison D., De Schutter D.P., Delvaux F., Delvaux F.R. J. Chromatogr. A 2009, 1216:5061.
4. Dunn W.B., Ellis D.I. Trends Anal. Chem. 2005, 24:285.
5. Nicholson J.K., Lindon J.C. Nature 2008, 455:1054.
6. Liang Y.-Z., Xie P., Chan K. J. Chromatogr. B 2004, 812:53.
7. Liang Y., Xie P., Chau F. J. Sep. Sci. 2010, 33:410.
8. Mukherjee P.K. Quality control of herbal drugs: an approach to evaluation of botanicals 2002, Business Horizons, New Delhi.
9. Navaratnam V., Mordi M.N., Mansor S.M. J. Chromatogr. B: Biomed. Sci. Appl. 1997, 692:157.
10. Chai M., Pawliszyn J. Environ. Sci. Technol. 1995, 29:693.
11. Ahel M., Giger W. Anal. Chem. 1985, 57:1577.
12. Gohlke R.S. Anal. Chem. 1959, 31:535.
13. Nadeau J.S., Wright B.W., Synovec R.E. Talanta 2010, 81:120.
14. Wang S.-Y., Ho T.-J., Kuo C.-H., Tseng Y.J. Bioinformatics 2010, 26:2338.
15. Gong F., Liang Y.-Z., Fung Y.-S., Chau F.-T. J. Chromatogr. A 2004, 1029:173.
16. Nielsen N.-P.V., Carstensen J.M., Smedsgaard J. J. Chromatogr. A 1998, 805:17.
17. Prazen B.J., Johnson K.J., Weber A., Synovec R.E. Anal. Chem. 2001, 73:5677.
18. Sinha A., Fraga C., Prazen B., Synovec R. J. Chromatogr. A 2004, 1027:269.
19. Kim S., Fang A., Wang B., Jeong J., Zhang X. Bioinformatics 2011, 27:1660.
20. Grung B., Kvalheim O.M. Anal. Chim. Acta 1995, 304:57.
21. Prazen B.J., Synovec R.E., Kowalski B.R. Anal. Chem. 1998, 70:218.
22. Smith C.A., Want E.J., O'Maille G., Abagyan R., Siuzdak G. Anal. Chem. 2006, 78:779.
23. Nevedomskaya E., Derks R., Deelder A., Mayboroda O., Palmblad M. Anal. Bioanal. Chem. 2009, 395:2527.
24. Kassidas A., MacGregor J.F., Taylor P.A. AIChE J. 1998, 44:864.
25. Zhang D., Huang X., Regnier F.E., Zhang M. Anal. Chem. 2008, 80:2664.
26. Tomasi G., van den Berg F., Andersson C. J. Chemom. 2004, 18:231.
27. Pravdova V., Walczak B., Massart D.L. Anal. Chim. Acta 2002, 456:77.
28. Eilers P.H.C. Anal. Chem. 2003, 76:404.
29. van Nederkassel A.M., Daszykowski M., Eilers P.H.C., Heyden Y.V. J. Chromatogr. A 2006, 1118:199.
30. van Nederkassel A.M., Xu C.J., Lancelin P., Sarraf M., MacKenzie D.A., Walton N.J., Bensaid F., Lees M., Martin G.J., Desmurs J.R., Massart D.L., Smeyers-Verbeke J., Vander Heyden Y. J. Chromatogr. A 2006, 1120:291.
31. Walczak B., Wu W. Chemometr. Intell. Lab. Syst. 2005, 77:173.
32. Zhang Z.-M., Liang Y.-Z., Lu H.-M., Tan B.-B., Xu X.-N., Ferro M. J. Chromatogr. A 2012, 1223:93.
33. Zhang Z.M., Chen S., Liang Y.Z. Talanta 2011, 83:1108.
34. Pluskal T., Castillo S., Villar-Briones A., OreŠič M. BMC Bioinform. 2010, 11:1.
35. Chae M., Reis R., Thaden J. BMC Bioinform. 2008, 9:S15.
36. Oh C., Huang X., Regnier F.E., Buck C., Zhang X. J. Chromatogr. A 2008, 1179:205.
37. Yang C., He Z., Yu W. BMC Bioinform 2009, 10:4.
38. Donoho D.L. IEEE Trans. Inf. Theor. 1995, 41:613.
39. Zhang Z.-M., Chen S., Liang Y.-Z. Talanta 2011, 83:1108.
40. Wong J.W.H., Durante C., Cartwright H.M. Anal. Chem. 2005, 77:5655.
41. Nikolić D., Mureşan R.C., Feng W., Singer W. Eur. J. Neurosci. 2012, 35:742.
42. http://www.en.wikipedia.org/wiki/Cross-correlation.
43. http://www.en.wikipedia.org/wiki/Pearson_product-moment_correlation_coefficient.
44. Wilcox R.R. Introduction to Robust Estimation and Hypothesis Testing 1997, Academic Press, San Diego, CA.
45. Huber P.J. Robust Statistics 2004, Wiley-Interscience, San Francisco.
46. Katz M.H. Multivariable Analysis: A Practical Guide for Clinicians 1999, Cambridge University Press, Cambridge.
47. Zhang Z.-M., Chen S., Liang Y.-Z. Analyst 2010, 135.
48. Saghatelian A., Trauger S.A., Want E.J., Hawkins E.G., Siuzdak G., Cravatt B.F. Biochemistry 2004, 43(45).