The NMR Predictor application is able to predict NMR spectra for standard organic molecules containing the most frequent atoms (molecules containing H, C, N, O, F, Cl, Br, I, P, S, Si, Se, B, Sn, Ge, Te and As atoms). The chemical shifts are estimated by a mixed HOSE- and lin...
This suggests that although the energy landscape of the receptor is changed upon ligand binding, the molecular mobility remains on a relatively high level. This agrees adrenergic receptor, which show that with fluorescence the agonist-bound smtuodleiecsuolenisthheigGhHlySdryencaemptiocra8nadnidnt...
Introduction Nuclear magnet resonance (NMR) spectroscopy is applied to investigate the structures of small molecules in chemistry and large molecules such as proteins from various organisms [1–3]. Solution-state NMR spectroscopy is a very attractive tool in drug discovery due to its...
Lake Tai was chosen as a study site because it is one of the eutrophic lakes where the algal blooms have been closely monitored for decades39. Research indicated that the water column in the algal blooming areas contains a high level of aquatic macrophytes and phytoplankton31,38. In asanme...
A high-resolution structure of the target, determined by either X-ray crystallography or NMR spectroscopy, is a significant advantage. Equally important is high-quality structural information on the binding pose(s) of elaborated fragments as this is required to guide medicinal chemistry optimization. ...
of Free Fatty Acids in Vegetable Oils Maria Enrica Di Pietro 1,* , Alberto Mannu 1 and Andrea Mele 1,2 1 Department of Chemistry, Materials and Chemical Engineering "Giulio Natta", Politecnico di Milano, Piazza Leonardo da Vinci 32, 20133 Milan, Italy; alberto.mannu@polimi.it (A.M.);...
The structures show a good level of structural definition by the bb/heavy Å 1.38/1.98 Ramachandran Analysis Favourable regions 78.40% Int. J. Mol. Sci. 2020, 21, 2037 Additionally allowed regions Generously allowed regions 19.30% 2.30% 6 of 20 Disallowed regions 0% residueasnEd74FT8iAg-...
Glutamate salts, such as monosodium glutamate (MSG), are a widely-used additive in Chinese soy sauce, which impart characteristic umami taste in combination with bitter phenylalanine; though MSG is not considered as a healthy additive if present in concentrations higher than the permitted level. A...
In particular, AFA exposed to a CO2-rich environment at an early age (after 24 h of initial curing) exhibited a significant decline in its structural integrity [1]. It was also reported that carbonation alters in the chemistry and pH of the pore solution in the gel [11], which in turn...
Malkov 1, Abdigali A. Bakibaev 1 and Vera P. Tuguldurova 1,*,† 1 Faculty of Chemistry, Tomsk State University, 36, Lenin Avenue, Tomsk 634050, Russia 2 Faculty of Chemistry and Biology, Tomsk State Pedagogical University, 60, Kievskaya Street, Tomsk 634061, Russia * Correspondence: ...