13C and 15N NMR spectra of high‐energy polyazidocyanopyridines
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DOI: 10.1002/mrc.4495
Abstract: 13C and 15N NMR spectra of high‐energy 2,4,6‐triazidopyridine‐3,5‐dicarbonitrile, 2,3,5,6‐tetraazidopyridine‐4‐carbonitrile and 3,4,5,6‐tetraazidopyridine‐2‐carbonitrile are reported. The assignment of signals in the spectra was performed on the basis of density functional theory calculations. The molecular geometries were optimized… read more here.
Keywords: spectra high; high energy; 13c 15n; nmr spectra ... See more keywords
On the accuracy factors and computational cost of the GIAO–DFT calculation of 15N NMR chemical shifts of amides
Sign Up to like & getrecommendations! Published in 2017 at "Magnetic Resonance in Chemistry"
DOI: 10.1002/mrc.4625
Abstract: The main factors affecting the accuracy and computational cost of Gauge‐independent Atomic Orbital–density functional theory (GIAO–DFT) calculation of 15N NMR chemical shifts in the benchmark series of 16 amides are considered. Among those are the… read more here.
Keywords: chemical shifts; nmr chemical; computational cost; 15n nmr ... See more keywords
Position‐specific 15N isotope analysis in organic molecules: A high‐precision 15N NMR method to determine the intramolecular 15N isotope composition and fractionation at natural abundance
Sign Up to like & getrecommendations! Published in 2019 at "Magnetic Resonance in Chemistry"
DOI: 10.1002/mrc.4903
Abstract: The position‐specific 15N isotope content in organic molecules, at natural abundance, is for the first time determined by using a quantitative methodology based on 15N Nuclear Magnetic Resonance (NMR) spectrometry. 15N NMR spectra are obtained… read more here.
Keywords: methodology; isotope; 15n isotope; 15n nmr ... See more keywords
Triple resonance 15N NMR relaxation experiments for studies of intrinsically disordered proteins
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Biomolecular NMR"
DOI: 10.1007/s10858-017-0138-1
Abstract: Description of protein dynamics is known to be essential in understanding their function. Studies based on a well established $$^{15}\hbox {N}$$15N NMR relaxation methodology have been applied to a large number of systems. However, the… read more here.
Keywords: hbox 13c; relaxation; hbox 15n; nmr relaxation ... See more keywords
1H, 13C and 15N NMR assignments of cyclophilin LRT2 (OsCYP2) from rice
Sign Up to like & getrecommendations! Published in 2018 at "Biomolecular NMR Assignments"
DOI: 10.1007/s12104-018-9803-x
Abstract: Cyclophilins are enzymes that catalyze the isomerization of a prolyl–peptide bond and are found in both prokaryotes and eukaryotes. LRT2 (also known as OsCYP2) is a cyclophilin in rice (Oryza sativa), that has importance in… read more here.
Keywords: rice; 13c 15n; nmr assignments; assignments cyclophilin ... See more keywords
Impacts of Steric Compression, Protonation, and Intramolecular Hydrogen Bonding on the 15N NMR Spectroscopy of Norditerpenoid Alkaloids and Their Piperidine-Ring Analogues
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DOI: 10.1021/acsomega.0c01648
Abstract: 1H–15N HMBC spectra of norditerpenoid alkaloids and their synthetic azabicyclic analogues were obtained to investigate the impacts of the through-space effect of steric compression, protonation, and formation of intramolecular hydrogen bonding on the 15N NMR… read more here.
Keywords: 15n nmr; intramolecular hydrogen; spectroscopy; steric compression ... See more keywords
Probing the generality of spin crossover complex T½vs. ligand 15N NMR chemical shift correlations: towards predictable tuning
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DOI: 10.1039/d1qi00919b
Abstract: A study of 6 families (42 members) demonstrates that within a family the easily calculated 15N-NMR values of ligands enable predictable tuning of T1/2 in the corresponding complexes, except for 2 families with weakly influencing… read more here.
Keywords: predictable tuning; spin crossover; crossover complex; 15n nmr ... See more keywords
Utilizing the 1H-15N NMR Methods for the Characterization of Isomeric Human Milk Oligosaccharides
Sign Up to like & getrecommendations! Published in 2023 at "International Journal of Molecular Sciences"
DOI: 10.3390/ijms24032180
Abstract: Human milk oligosaccharides (HMOs) are structurally complex unconjugated glycans that are the third largest solid fraction in human milk after lactose and lipids. HMOs are in the forefront of research since they have been proven… read more here.
Keywords: milk oligosaccharides; human milk; 15n nmr; utilizing 15n ... See more keywords