Optimization of metabolite basis sets prior to quantitation in magnetic resonance spectroscopy: An approach based on quantum mechanics

Measurement Science and Technology

Volumn 22, Issue 11, 2011, Pages

  Lazariev, A ^a   Allouche, A R ^b   Aubert Frecon M ^b   Fauvelle, F ^c   Piotto, M ^d,e   Elbayed, K ^e   Namer, I J ^f   Van Ormondt, D ^g   Graveron Demilly, D ^a  

^a UNIVERSITÉ DE LYON   (France)

^b UNIVERSITÉ LYON 1   (France)

^c CRSSA/BCM   (France)

^d Bruker Corporation   (United States)

^e UNIVERSITÉ LOUIS PASTEUR   (France)

^f UNIVERSITY HOSPITAL OF STRASBOURG   (France)

^g DELFT UNIVERSITY OF TECHNOLOGY   (Netherlands)

Author keywords

HRMAS NMR; jMRUI software package; magnetic resonance spectroscopy; quantitation; quantum mechanics

Indexed keywords

BIOMOLECULES; CHEMICAL ANALYSIS; CHEMICAL SHIFT; DIAGNOSIS; MAGIC ANGLE SPINNING; MAGNETIC RESONANCE SPECTROSCOPY; MAGNETISM; METABOLITES; OPTIMIZATION; QUANTUM THEORY; RESONANCE; TISSUE;

HIGH RESOLUTION MAGIC ANGLE SPINNING; HR-MAS NMR; METABOLITE BASIS SET; METABOLITE CONCENTRATIONS; NORMALIZED CROSS CORRELATION; NUCLEAR MAGNETIC RESONANCE(NMR); QUANTITATION; QUANTUM MECHANICAL SIMULATIONS;

NUCLEAR MAGNETIC RESONANCE;

EID: 80054717970     PISSN: 09570233     EISSN: 13616501     Source Type: Journal    
DOI: 10.1088/0957-0233/22/11/114020     Document Type: Article

References (36)

1. 1H HR-MAS spectroscopy J. Magn. Reson. 55 1257-64 (Pubitemid 43856762)
2. 1H NMR spectroscopy NMR Biomed. 19 90-100 (Pubitemid 43250794)
3. 1H nuclear magnetic resonance spectroscopy Magn. Reson. Med. 53 1018-24 (Pubitemid 40627776)
4. Burns M A, Taylor J L, Wu C L, Zepeda A G, Bielecki A, Cory D and Cheng L L 2005 Reduction of spinning sidebands in proton NMR of human prostate tissue with slow high-resolution magic angle spinning Magn. Reson. Med. 54 34-42 (Pubitemid 40898394)
5. Sitter B, Lundgren S, Bathen T F, Halgunset J, Fjosne H E and Gribbestad I S 2005 Comparison of HR MAS MR spectroscopic profiles of breast cancer tissue with clinical parameters NMR Biomed. 19 30-40
6. 1H MRS study of human high grade gliomas NMR Biomed. 17 191-205 (Pubitemid 39089246)
7. Lindon J C, Beckonert O P, Holmes E and Nicholson J K 2009 High-resolution magic angle spinning NMR spectroscopy: Application to biomedical studies Prog. Nucl. Magn. Reson. Spectrosc. 55 79-100
8. Fauvelle F, Dorandeu F, Carpentier P, Foquin A, Rabeson H, Graveron-Demilly D, Arvers P and Testylier G 2010 Changes in mouse brain metabolism following a convulsive dose of soman: a proton HRMAS NMR study Toxicology 267 99-111
9. Wright A J, Fellows G A, Griffiths J R, Wilson M, Bell B Anthony and Howe F A 2010 Ex vivo HRMAS of adult brain tumours: metabolite quantification and assignment of tumour biomarkers Mol. Cancer 9 66
10. Sava A Croitor, Martinez-Bisbal M C, Van Huffel S, Cerda J M, Sima D M and Celda B 2011 Ex vivo high resolution magic angle spinning metabolic profiles describe intratumoral histopathological tissue properties in adult human gliomas Magn. Reson. Med. 65 320-8
11. Rabeson H, Fauvelle F, Ratiney H, Cudalbu C, van Ormondt D and Graveron-Demilly D 2006 Quantitation with QUEST of ER-filtered HRMAS-NMR signals ProRISC, IEEE Benelux (Veldhoven, The Netherlands, November) pp 171-5
12. Rabeson H, Ratiney H, Fauvelle F, Cudalbu C, Cavassila S, Bernard A, Giraudon P, van Ormondt D and Graveron-Demilly D 2007 Quantitation for in vivo and ex vivo NMR spectroscopy J. Optoelectron. Adv. Mater. 9 505-11
13. Reynolds G, Wilson M, Peet A and Arvanitis T N 2006 An algorithm for the automated quantitation of metabolites in in vitro NMR signals Magn. Reson. Med. 56 1211-9 (Pubitemid 44865302)
14. DiCamillo F P, Swanson M G, Kurhanewicz J and Nelson S J 2006 Assessment of HR-MAS NMR prostate biopsy tissue spectra with principal component analysis and metabolite quantification Proc. Int. Soc. Magnetic Resonance in Medicine, 14th Scientific Meeting and Exhibition (Seattle, USA) pp 2534
15. Hall L D and Talagala S L 1985 Mapping of pH and temperature distribution using chemical-shift-resolved tomography J. Magn. Reson. 65 501-5
16. van der Graaf M and Heerschap A 1996 Effect of cation binding on the proton chemical shifts and the spin-spin coupling constant of citrate J. Magn. Reson. Ser. B 112 58-62 (Pubitemid 126758703)
17. 1H NMR: focus on choline-containing compounds and taurine Anal. Bioanal. Chem. 399 987-999
18. Ishihara Y, Calderon A, Watanabe H, Okamoto K, Suzuki Y, Kuroda K and Suzuki Y 1995 A precise and fast temperature mapping using water proton chemical shift Magn. Reson. Med. 34 814-23
19. 1H chemical shifts in proteins J. Biomol. NMR 9 359-69 (Pubitemid 127505398)
20. Stefan D et al 2009 Quantitation of magnetic resonance spectroscopy signals: the jMRUI software package Meas. Sci. Technol. 20 104035
21. 1H NMR chemical shifts, simulated and experimental spectra of sarcosine Chem. Phys. Lett. 492 297-301
22. Provencher S W 1993 Estimation of metabolite concentrations from localized in vivo proton NMR spectra Magn. Reson. Med. 30 672-9 (Pubitemid 23360802)
23. Ratiney H, Sdika M, Coenradie Y, Cavassila S, van Ormondt D and Graveron-Demilly D 2005 Time-domain semi-parametric estimation based on a metabolite basis set NMR Biomed. 18 1-13 (Pubitemid 40347537)
24. 1H short echo-time signals: background accommodation Magn. Reson. Mater. Phys. 16 284-96 (Pubitemid 39006332)
25. Giskeødegrd G F, Bloemberg T G, Postma G, Sitter B, Tessem M-B, Gribbestad I S, Bathen T F and Buydens L M C 2010 Alignment of high resolution magic angle spinning magnetic resonance spectra using warping methods Anal. Chim. Acta 683 1-11
26. Lazariev A, Piotto M, Elbayed K, Namer I J, van Ormondt D and Graveron-Demilly D 2010 Simple correction of chemical shift changes in magnetic resonance spectroscopy quantitation Proc. IEEE IST2010 (Thessaloniki, Greece, 1-2 July) pp 365-8
27. Lazariev A, Fauvelle F, Piotto M, Elbayed K, Namer I J, van Ormondt D and Graveron-Demilly D 2010 Simple correction of chemical shift changes in quantitation ISMRM-ESMRMB 2010 (Stockholm, Sweden, 1-7 May) pp 3318
28. Alusta P, Im I, Pearce B A, Beger R D, Kretzer R M, Buzatu D A and Wilkes J G 2010 Improving proton MR spectroscopy of brain tissue for noninvasive diagnostics J. Magn. Reson. Imag. 32 818-29
29. 1H magnetic resonance spectroscopy Metabolomics 5 292-301
30. Graveron-Demilly D, Diop A, Briguet A and Fenet B 1993 Product-operator algebra for strongly coupled spin systems J. Magn. Reson. A 101 233-9
31. Poole C P and Farach H A 1972 Theory of Magnetic Resonance (New York: Wiley)
32. Govindaraju V, Young K and Maudsley A A 2000 Proton NMR chemical shifts and coupling constants for brain metabolites NMR Biomed. 13 129-53 (Pubitemid 30414704)
33. Rabeson H, Fauvelle F, Testylier G, Foquin A, Carpentier P, Dorandeu F, van Ormondt D and Graveron-Demilly D 2008 Quantitation with QUEST of brain HRMAS-NMR signals: application to metabolic disorders in experimental epileptic seizures Magn. Reson. Med. 59 1266-73 (Pubitemid 351813254)
34. Allouche A R 2011 Gabedit - a graphical user interface for computational chemistry softwares J. Comput. Chem. 32 174-82
35. Cavassila S, Fenet B, van den Boogaart A, Rémy C, Briguet A and Graveron-Demilly D 1997 ER-Filter: a preprocessing technique for frequency-selective time-domain analysis Magn. Reson. Anal. 3 87-92
36. Bales J R, Higham D P, Howe I, Nicholson J K and Sadler P J 1984 Use of high resolution proton nuclear magnetic resonance spectroscopy for rapid multi-component analysis of urine Clin. Chem. 30 426-32