21160-87-2Relevant articles and documents
Zintel et al.
, p. 411,412 (1969)
The 15N labelled L-glutamic acid: Experimental and computational NMR studies
Vulcu, Adriana,Berghian Grosan, Camelia,Chiriac, Maria,Almasan, Valer
experimental part, p. 667 - 674 (2012/04/23)
15N labelled L-glutamic acid is synthesized by the reductive amination of α-ketoglutarate, in the presence of glutamate dehydrogenase (GDH), nicotinamide adenine dinucleotide (NADH) as cofactor and 15NH4Cl as source of isotope 15N. The reaction mixture includes glucose dehydrogenase (GlcDH) and glucose, as electron donor, for NADH regeneration, too. We are also interested in the theoretical calculation of NMR parameters for this compound; the 13C chemical shifts and coupling constants were calculated by B3LYP (hybrid Becke 3 Lee Yang Parr) density functional method with 6-311+G(d, p) basis set. For chemical shifts and coupling constants prediction the GIAO (Gauge-Induced Atomic Orbital) approximation and the keyword NMR=spinspin respectively were used. Comparison between the experimental and theoretical results indicates that DFT/B3LYP/6-311+G(d, p) method is in good agreement with the experimental data.