Isotope-based methods are commonly used for metabolic flux analysis and metabolite quantification in biological extracts. Nuclear magnetic resonance (NMR) spectroscopy is a powerful analytical tool for these studies because NMR can unambiguously identify compounds and accurately measure (13)C enrichment. We have developed a new pulse sequence, isotope-edited total correlation spectroscopy (ITOC...

Herein, an NMR spectral analysis was performed of a mixture diastereomeric acetals synthesized from 2-fluorobenzaldehyde and racemic 4-methylpentan-2-ol. The simulated 1H- 13C-NMR spectra individual diastereomers, as well their superimposed summed spectra, were compared with the obtained experimental spectra. Spin simulation proton signals particularly useful for assignment aromatic part molecu...

NMR spectra of mammalian cells are taken using surface microprobes that are based on microfabricated planar coils. The surface microprobe resembles a miniaturized Petri dish commonly used in biological research. The diameter of the planar coils is 1 mm. Chinese Hamster Ovaries are immobilized in a uniform layer on the microprobe surface or patterned by an ink-jet printer in the centre of the mi...

Complexes formed between dimyristoylphosphatidylcholine (DMPC) and the peptide pentagastrin or [Arg4]pentagastrin were examined by 31P- and 2H-NMR. The cationic [Arg4]pentagastrin produces larger changes in the lipid NMR spectra than does the anionic pentagastrin. 31P-NMR spectra of DMPC with [Arg4]pentagastrin below the phase transition exhibits two components one of which is motionally restri...

copper (ii) phthalocyanine and 2, 9, 16, 23 tetrakis nitro copper (ii) phthalocyanine has been synthesized respectively from phthalonitrile and 4-nitro phthalonitrile under solvent-free condition using two different catalysts over nanodimensional zeolites. 4-nitro phthalonitrile synthesized from phthaimide in three steps. the newly prepared compounds have been characterized by ir, uv-vis,1h nm...

Nuclear magnetic resonance (NMR) studies of larger proteins are hampered by difficulties in assigning NMR resonances. Human intervention is typically required to identify NMR signals in 3D spectra, and subsequent procedures depend on the accuracy of this so-called peak picking. We present a method that provides sequential connectivities through correlation maps constructed with covariance NMR, ...

Nine different artificial neural networks were trained with the spherically encoded chemical environments of more than 500000 carbon atoms to predict their 13C NMR chemical shifts. Based on these results the PC-program "C_shift" was developed which allows the calculation of the 13C NMR spectra of any proposed molecular structure consisting of the covalently bonded elements C, H, N, O, P, S and ...

The proton-decoupled 15N Fourier transform nuclear magnetic resonance (NMR) spectra of 15N-enriched Escherichia coli, Bacillus licheniformis, baker's yeast, and Friend leukemic cells were obtained. The 15N NMR spectra of whole cells displayed 15N resonances originating from (i) protein backbones with lysine, arginine, and histidine side chains, (ii) ribonucleic acids, (iii) peptidoglycan, and (...

The NMR spectra and data reported in this article refer to the research article titled "A simple and accurate protocol for absolute polar metabolite quantification in cell cultures using q-NMR" [1]. We provide the (1)H q-NMR spectra of cell culture media (DMEM) after removal of serum proteins, which show the different efficiency of various precipitating solvents, the solvent/DMEM ratios, and pH...

NMR is a unique methodology for obtaining information about the conformational dynamics of proteins in heterogeneous biomolecular systems. In various NMR methods, such as transferred cross-saturation, relaxation dispersion, and paramagnetic relaxation enhancement experiments, fast determination of the signal intensity ratios in the NMR spectra with high accuracy is required for analyses of targ...