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10.1021/np800274k J

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Neurometabolites were quantified with LCModel [48], with prior reported chemical shifts and coupling constants [49, 50] as a basis for the model spectra of aspartate (Asp), ascorbate/vitamin C (Asc), glycerophosphocholine (GPC), phosphocholine (PC), creatine (Cr), phosphocreatine (PCr), -amino-butyric acid (GABA), glucose (Glc), glutamine (Gln), glutamate (Glu), glutathione (GSH), myo-inositol (myo-Ins), N-acetylaspartate (NAA), N-acetylaspartylglutamate (NAAG), phosphoethanolamine (PE), scyllo-inositol (scyllo-Ins) and taurine (Tau) were generated based on previously reported chemical shifts and coupling constants.by using GAMMA/PyGAMMA simulation library of VESPA for applying the density matrix formalism (Versatile Simulation, Pulses and Analysis 9)