Analysis of in vitro 2D-COSY on Human Brain Metabolites for Molecular Stereochemistry: The Preliminary Results

Bo-Young Choe; Sang-Young Kim; 우동철; Eun-Jung Bang; 김상수; 임향숙; 최치봉

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자료유형: 학술저널

저자정보: Bo-Young Choe Sang-Young Kim 우동철 Eun-Jung Bang 김상수 임향숙 최치봉

저널정보: 한국자기공명학회 Journal of the Korean Magnetic Resonance Society Journal of the Korean Magnetic Resonance Society 제12권 제1호

발행연도: 2008.1

수록면: 14 - 25 (12page)

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To investigate the 3-bond connectivity of human brain metabolites by scalar coupling interaction through 2D-correlation spectroscopy (COSY) techniques using high field NMR spectroscopy. All NMR experiments were performed at 298K on Unity Inova 500 or 600 (Varian Inc.) equipped with a triple resonance probe head with z-shield gradient. Human brain metabolites were prepared with 10% D2O. Two dimensional 2D COSY spectra were acquired with 4096 complex data points in t2 and 128 or 256 increments in t1 dimension. The spectral width was 9615.4 Hz and solvent suppression was achieved using presaturation using low power irradiation of the water resonance during 2s of relaxation delay. NMR data were processed using VNMRJ (Varian Instrument) software and all the chemical shifts were referenced to the methyl resonance of N-acetyl aspartate (NAA) peak at 2.0 ppm. Total 10 metabolites such as N-acetyl aspartate (NAA), creatine (Cr), choline (Cho), glutamine (Gln), glutamate (Glu), myo-inositol (Ins), lactate (Lac), taurine (Tau), γ-aminobutyricacid (GABA), alanine (Ala) were included for major target metabolites. Symmetrical 2D-COSY spectra were successfully acquired. Total 14 COSY cross peaks were observed even though there were parallel/orthogonal noisy peaks induced by water suppression. Except for Cr, all of human brain metabolites produced COSY cross peaks. The spectra of NAA methyl proton at 2.02 ppm and Glu methylene proton (CH2(3)) at 2.11 ppm and Gln methylene proton (CH2(3)) at 2.14 ppm were overlapped in the similar resonance frequency between 2.00 ppm and 2.15 ppm. The present study demonstrated that in vitro 2D-COSY represented the 3-bond connectivity of human brain metabolites by scalar coupling interaction. This study could aid in better understanding the interactions between human brain metabolites in vivo 2D-COSY study. Also it would be helpful to determine the molecular stereochemistry in vivo by using two-dimensional MR spectroscopy

#Magnetic resonance spectroscopy #MRS) #2D-MR #COSY #ROESY

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참고문헌 신청

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