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Detection of methylation, acetylation and glycosylation of protein residues by monitoring 13C chemical-shift changes: A quantum-chemical study
(PeerJ, 2016-06)
Post-translational modifications of proteins expand the diversity of the proteome by several orders of magnitude and have a profound effect on several biological processes. Their detection by experimental methods is not ...
Configuration of stilbene derivatives by (1)H NMR and theoretical calculation of chemical shifts
(ELSEVIER SCIENCE BV, 2010)
The direct E/Z configuration assignment of tri- and tetra-substituted stilbenes (and other analogous olefins) when only one of the isomers is available is a quite challenging task. Sometimes, a chemical transformation or ...
19F chemical shifts, coupling constants and conformational preferences in monosubstituted perfluoroparacyclophanes
(John Wiley & Sons Ltd, 2011-02)
In the process of studying the chemistry of perfluoro[2.2]paracyclophanes (PFPCs), a novel class of compounds, it became necessary to identify some disubstituted products. To achieve this goal, we characterize in this work ...
PROTON-RESONANCE SPECTRA AND SUBSTITUENT-INDUCED CHEMICAL-SHIFTS OF 3-HALOCAMPHORS
(John Wiley & Sons LtdW SussexInglaterra, 1994)
PRINCIPAL COMPONENT ANALYSIS OF THE C-13 NMR SHIFTS OF NORBORNYL DERIVATIVES .2. TETRACYCLIC DODECANE DERIVATIVES
(John Wiley & Sons LtdW SussexInglaterra, 1993)
Synthesis and luminescent properties of new naphthoquinoline lactone derivatives
(2020-11-01)
The multicomponent reaction between tetronic acid (1), 2-aminoanthracene (2) and aromatic aldehydes (3) and the subsequent addition of DDQ produced a series of naphtho [2,3-f]quinoline lactone derivatives (5) in good yield. ...
Substituent effects in the C-13 NMR chemical shifts of alpha-mono-substituted acetonitriles
(Pergamon-elsevier Science LtdOxfordInglaterra, 2007)
Stereoelectronic and inductive effects on H-1 and C-13 NMR chemical shifts of some cis-1,3-disubstituted cyclohexanes
(John Wiley & Sons LtdChichesterInglaterra, 2006)
Physics-based method to validate and repair flaws in protein structures
(National Academy of Sciences, 2013-10)
A method that makes use of information provided by the combination of 13Cα and 13Cβ chemical shifts, computed at the density functional level of theory, enables one to (i) validate, at the residue level, conformations of ...
H-1 chemical shifts in NMR. Part 24 - proton chemical shifts in some gem-difunctional compounds: 3-endo- and 3-exo-substituted norbornanones
(John Wiley & Sons LtdChichesterInglaterra, 2006)