title: Quantum-mechanical simulations for in vivo MR spectroscopy: Principles and possibilities demonstrated with the program NMRScopeB.
abstract: Current possibilities and limitations of the simulation of in vivo magnetic resonance spectroscopic signals are demonstrated from the point of view of a simulation software user as well as its programmer. A brief review of the quantum-mechanical background addresses the specific needs of simulation implementation and in vivo MR spectroscopy in general. Practical application examples demonstrate how flexible simulation software, such as NMRScopeB, can be utilized not only for the preparation of metabolite basis signals for quantification of metabolite concentrations, but also in pulse sequence development, assessment of artifacts and analyzing mechanism leading to unexpected signal phenomena.
authors.affiliation: Institute of Scientific Instruments, CAS, Královopolská 147, 612 64 Brno, Czech Republic. Electronic address: starcuk@isibrno.cz.
authors.forename: Zenon
authors.initials: Z
authors.lastname: Starčuk
authors.affiliation: Institute of Scientific Instruments, CAS, Královopolská 147, 612 64 Brno, Czech Republic. Electronic address: jana@isibrno.cz.
authors.forename: Jana
authors.initials: J
authors.lastname: Starčuková
mesh_terms: D000818:Animals; D003198:Computer Simulation; D006801:Humans; D008279:Magnetic Resonance Imaging / Q000379:methods*; D009682:Magnetic Resonance Spectroscopy / Q000379:methods*; D008954:Models, Biological; D011789:Quantum Theory; D012984:Software
keywords: In vivo spectroscopy; Magnetic resonance spectroscopy; Metabolite concentration quantitation; Quantum mechanical simulation