GAVA: Spectral simulation for in vivo MRS applications

Journal of Magnetic Resonance

Volumn 185, Issue 2, 2007, Pages 291-299

  Soher, Brian J ^a   Young, Karl ^b   Bernstein, Aaron ^b   Aygula, Zakaria ^c   Maudsley, Andrew A ^c  

^a DUKE UNIVERSITY MEDICAL CENTER   (United States)

^b UNIVERSITY OF CALIFORNIA   (United States)

^c UNIVERSITY OF MIAMI MILLER SCHOOL OF MEDICINE   (United States)

Author keywords

GAMMA; MR spectroscopy; Parametric spectral analysis; Software; Spectral simulation

Indexed keywords

COMPUTER SIMULATION; DATABASE SYSTEMS; METABOLITES; PARAMETER ESTIMATION; TISSUE;

PARAMETRIC SPECTRAL ANALYSIS; SPECTRAL SIMULATION; TISSUE METABOLITES;

NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY;

ALGORITHM; ARTICLE; BIOLOGICAL MODEL; CHEMICAL MODEL; COMPUTER GRAPHICS; COMPUTER INTERFACE; COMPUTER PROGRAM; COMPUTER SIMULATION; METHODOLOGY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY;

ALGORITHMS; COMPUTER GRAPHICS; COMPUTER SIMULATION; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, BIOLOGICAL; MODELS, CHEMICAL; SOFTWARE; USER-COMPUTER INTERFACE;

EID: 34247344891     PISSN: 10907807     EISSN: 10960856     Source Type: Journal    
DOI: 10.1016/j.jmr.2007.01.005     Document Type: Article

References (52)

1. Allman T., Bain A., and Garbow J. SIMPLTN, a program for the simulation of pulse NMR spectra. J. Magn. Reson. A123 1 (1996) 26-31
2. Bak M., Rasmusson J.T., and Nielsen N.C. SIMPSON: a general simulation program for solid-state NMR spectroscopy. J. Magn. Reson. 147 2 (2000) 296-330
3. Baldus M., Petkova A.T., Herzfeld J., and Griffin R.G. Cross-polarization in the tilted frame-assignment and spectral simplification in heteronuclear spin systems. Mol. Phys. 95 (1998) 1197-1207
4. Bax A., De Jong P.G., Mehlkopf A.F., and Smidt J. Separation of the different orders of NMR multiple-quantum transitions by the use of pulsed field gradients. Chem. Phys. Lett. 69 (1980) 567-570
5. Blanton W.B. BlochLib: a fast NMR C++ tool kit. J. Magn. Reson. 162 2 (2003) 269-283
6. Choi C., Coupland N.J., Hanstock C.C., Ogilvie C.J., Higgins A.C., Gheorghiu D., and Allen P.S. Brain gamma-aminobutyric acid measurement by proton double-quantum filtering with selective J rewinding. Magn. Reson. Med. 54 (2005) 272-279
7. De Graaf A.A., and Bovee W.M.M.J. Improved quantification of in vivo 1H NMR spectra by optimization of signal acquisition and processing and by incorporation of prior knowledge into the spectral fitting. Magn. Reson. Med. 15 (1990) 305-319
8. Devaux P.F., Hoatson G.L., Favre E., Fellmann P., Farren B., McKay A.L., and Bloom M. Interaction of cytochrome c with mixed dimyristoylphosphatidylcholine-dimiristoylphosphatidylserine bilayers: a deuterium nuclearXmagnetic resonance study. Biochemistry 25 (1986) 3804-3812
9. Dusold S., Milius W., and Sebald A. Iterative lineshape fitting of MAS NMR spectra: a tool to investigate homonuclear J-coupling in isolated spin pairs. J. Magn. Reson. 135 2 (1998) 500-513
10. Ebel A., Soher B.J., and Maudsley A.A. Assessment of 3D 1H NMR echo-planar spectroscopic imaging using automated spectral analysis. Magn. Reson. Med. 46 (2001) 1072-1078
11. Eykyn T.R., Ghose R., and Bodenhausen G. Offset profiles of selective pulses in isotopically labeled macromolecules. J. Magn. Reson. 136 (1999) 211-213
12. Filip C., Hafner S., Schnell I., Demco D.E., and Spiess H.W. Solid-state nuclear-magnetic-resonance spectra of dipolar-coupled multi-spin systems under fast magic-angle-spinning. J. Chem. Phys. 110 (1999) 423-440
13. Govindaraju V., Gauger G., Manley G., Ebel A., Meeker M., and Maudsley A.A. Volumetric proton spectroscopic imaging of mild traumatic brain injury. AJNR 25 (2004) 730-737
14. Govindaraju V., Meyerhoff D.J., Maudsley A.A., Vermathen M., and Weiner M.W. Effects of brain membranes on 1H nuclear magnetic resonance signal intensity of ethanol in vitro. Alcohol Alcoholism 32 (1997) 671-681
15. Graveron-Demilly D., Diop A., Briguet A., and Fenet B. Product-operator algebra for strongly coupled spin systems. J. Magn. Reson. 101 (1993) 233-239
16. Guntert P., Schaefer N., Otting G., and Wuthrich K. POMA: a complete mathematica implementation of the NMR product-operator formalism. J. Magn. Reson. A 101 (1993) 103-105
17. Helgstrand M., and Allard P. QSim, a program for NMR simulations. J. Biomol. NMR 30 (2004) 71-80
18. Hennig J., Thiel T., and Speck O. Improved sensitivity to overlapping multiplet signals in in vivo proton spectroscopy using a multiecho volume selective (CPRESS) experiment. Magn. Reson. Med. 37 (1997) 816-820
19. Hughes E., Brouwer E.B., and Harris R.K. 19F solid-state NMR magic-angle-turning experiments using multiple-pulse homonuclear decoupling. J. Magn. Reson. 138 (1999) 256-267
20. Hurd R., Sailasuta N., Srinivasan R., Vigneron D.B., Pelletier D., and Nelson S.J. Measurement of brain glutamate using TE-averaged PRESS at 3T. Magn. Reson. Med. 51 3 (2004) 435-440
21. Kaikkonen A., Ylinen E.E., and Punkkinen M. Multiple-quantum coherences of molecular groups-19F in Cf3Cooag. Appl. Magn. Reson. 15 (1998) 509-518
22. Kanters R.P.F., Char B.W., and Addison A.W. A computer-algebra application for the description of NMR experiments using the product-operator formalism. J. Magn. Reson. A 101 (1993) 23-29
23. Kim H., Thompson R.B., Hanstock C.C., and Allen P.S. Variability of metabolite yield using STEAM or PRESS sequences in vivo at 3.0 T, illustrated with myo-inositol. Magn. Reson. Med. 53 4 (2005) 760-769
24. Kim H., Wild J.M., and Allen P.S. Strategy for the spectral filtering of myo-inositol and other strongly coupled spins. Magn. Reson. Med. 51 2 (2004) 263-272
25. Maudsley A., Govindaraju V., Young K., Aygula Z., Pattany P.M., Soher B.J., and Matson G. Numerical simulation of PRESS localized MR spectroscopy. J. Magn. Reson. 173 1 (2005) 54-63
26. McClung R.E.D. Coherence transfer pathways and phase cycles-the decoding of a pulse sequence. Concepts Magn. Reson. 11 (1999) 1-28
27. Meresi G.H., Cuperlovic M., Palke W.E., and Gerig J.T. Pulsed field gradients in simulations of one- and two-dimensional NMR spectra. J. Magn. Reson. 137 1 (1999) 186-195
28. Mescher M., Merkle H., Kirsch J., Garwood M., and Gruetter R. Simultaneous in vivo spectral editing and water suppression. NMR Biomed. 11 (1998) 266-272
29. Naressi A., Couturier C., Devos J.M., Janssen M., Mangeat C., de Beer R., and Graveron-Demilly D. Java-based graphical user interface for the MRUI quantitation package. Magma 12 2-3 (2001) 141-152
30. Pelupessy P., Chiarparin E., and Bodenhausen G. Excitation of selected proton signals in NMR of isotopically labeled macromolecules. J. Magn. Reson. 138 (1999) 178-181
31. Provencher S.W. Estimation of metabolite concentrations from localized in vivo proton NMR spectra. Magn. Reson. Med. 30 6 (1993) 672-679
32. Ratiney H., Sdika M., Coenradie Y., Cavassila S., van Ormondt D., and Graveron-Demilly D. Time-domain semi-parametric estimation based on a metabolite basis set. NMR Biomed. 18 1 (2005) 1-13
33. Rothman D.L., Arias-Mendoza F., Shulman G.I., and Shulman R.G. A pulse sequence for simplifying hydrogen NMR spectra of biological tissues. J. Magn. Reson. 60 (1984) 430-436
34. Sierra G.A., Schuler M.A., and Schweiger A. Right-angle spinning for sensitivity improvement in pulse EPR experiments. Chem. Phys. Lett. 303 (1999) 475-481
35. Slotboom J., Boesch C., and Kreis R. Versatile frequency domain fitting using time domain models and prior knowledge. Magn. Reson. Med. 39 (1998) 899-911
36. Smith S.A., Levante T.O., Meier B.H., and Ernst R.R. Computer simulations in magnetic resonance. An object-oriented programming approach. J. Magn. Reson. A 106 (1994) 75-105
37. Smith S.A., and Murali N. Relaxation effects in a system of a spin-1/2 nucleus coupled to a quadrupolar spin subjected to RF irradiation-evaluation of broad-band decoupling schemes. J. Magn. Reson. 136 (1999) 211-213
38. Soher B.J., and Maudsley A.A. Evaluation of variable line-shape models and prior information in automated 1H spectroscopic imaging analysis. Magn. Reson. Med. 52 6 (2004) 1246-1254
39. Soher B.J., Vermathen P., Schuff N., Wiedermann D., Meyerhoff D., Weiner M., and Maudsley A.A. Short TE in vivo 1H MR spectroscopic imaging at 1.5 T: automated spectral analysis and metabolite image formation. Magn. Reson. Imaging 18 (2000) 1159-1165
40. Soher B.J., Young K., Govindaraju V., and Maudsley A.A. Automated spectral analysis III: application to in vivo proton MR spectroscopy and spectroscopic imaging. Magn. Reson. Med. 40 (1998) 822-831
41. Suhy J., Miller R.G., Rule R., Schuff N., Licht J., Dronsky V., Gelinas D., Maudsley A.A., and Weiner M.W. Early detection and longitudinal changes in amyotrophic lateral sclerosis by 1H MRSI. Neurology 58 5 (2002) 773-779
42. Thomas M.A., Binesh N., Yue K., and DeBruhl N. Volume-localized two-dimensional correlated magnetic resonance spectroscopy of human breast cancer. Magn. Reson. Imaging 14 (2001) 181-186
43. Thomas M.A., Ryner L.N., Mehta M.P., Turski P.A., and Sorenson J.A. Localized 2D J-resolved 1H MR spectroscopy of human brain tumors in vivo. Magn. Reson. Imaging 6 (1996) 453-459
44. Thomas M.A., Yue K., Binesh N., Davanzo P., Kumar A., Siegel B., Frye M., Curran J., Lufkin R., Martin P., and Guze B. Localized two-dimensional shift correlated MR spectroscopy of human brain. Magn. Reson. Med. 46 (2001) 58-67
45. Thompson R.B., and Allen P.S. Response of metabolites with coupled spins to the STEAM sequence. Magn. Reson. Med. 45 (2001) 955-965
46. Trabesinger A.H., Meier D., and Boesiger P. In vivo 1H NMR spectroscopy of individual human brain metabolites at moderate field strengths. Magn. Reson. Imaging 21 (2003) 1295-1302
47. Trabesinger A.H., Meier D., Dydak U., Lamerichs R., and Boesiger P. Optimizing PRESS localized citrate detection at 3 Tesla. Magn. Reson. Med. 54 (2005) 51-58
48. van Dijk J.E., Mehlkopf A.F., and Bovee W.M.M.J. Comparison of double and zero quantum NMR editing techniques for in vivo use. NMR Biomed. 5 (1992) 75-86
49. Veshtort M., and Griffin R.G. SPINEVOLUTION: a powerful tool for the simulation of solid and liquid state NMR experiments. J. Magn. Reson. 178 (2006) 248-282
50. Young K., Govindaraju V., Soher B.J., and Maudsley A.A. Automated spectral analysis I: formation of a priori information by spectral simulation. Magn. Reson. Med. 40 (1998) 812-815
51. Young K., Matson G.B., Govindaraju V., and Maudsley A.A. Spectral simulations incorporating gradient coherence selection. J. Magn. Reson. 140 (1999) 146-152
52. Young K., Soher B.J., and Maudsley A.A. Automated spectral analysis II: application of wavelet shrinkage for characterization of non-parameterized signals. Magn. Reson. Med. 40 (1998) 816-821