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One-shot determination of residual dipolar couplings: application to the structural discrimination of small molecules containing multiple stereocenters
(American Chemical Society, 2016-11)
A novel approach for the fast and efficient structural discrimination of molecules containing multiple stereochemical centers is described. A robust J-resolved HSQC experiment affording highly resolved 1JCH/1TCH splittings ...
Stereochemistry determination by Powder X-Ray diffraction analysis and NMR spectroscopy residual dipolar couplings
(Wiley VCH Verlag, 2009-06)
For a new steroidal lactol, jaborosalactol 24, isolated from Jaborosa parviflora, NMR spectroscopy residual dipolar couplings and powder X-ray diffraction analysis independently gave the same stereochemistry at C23-C26. ...
Phytochemical study of Senecio volckmannii assisted by CASE-3D with residual Dipolar Couplings and Isotropic 1H/13C NMR Chemical Shifts
(American Chemical Society, 2018-11)
Nine new eremophilanolides, with seven known sesquiterpenoids, and 4-hydroxyacetophenone were isolated from the aerial parts of Senecio volckmannii var. volckmannii. The structures of these compounds were fully characterized ...
Correlated Inter-Domain Motions in Adenylate Kinase
(Public Library Of Science, 2014-07)
Correlated inter-domain motions in proteins can mediate fundamental biochemical processes such as signal transduction and allostery. Here we characterize at structural level the inter-domain coupling in a multidomain enzyme, ...
Some Surprising Implications of NMR-directed Simulations of Substrate Recognition and Binding by Cytochrome P450cam (CYP101A1)
(Academic Press Ltd - Elsevier Science Ltd, 2018-04)
Cytochrome P450cam (CYP101A1) catalyzes the stereospecific 5-exo hydroxylation of d-camphor by molecular oxygen. Previously, residual dipolar couplings measured for backbone amide 1H–15N correlations in both substrate-free ...
Di(ethylene glycol) methyl ether methacrylate (DEGMEMA)-derived gels align small organic molecules in methanol
(John Wiley & Sons Ltd, 2017-03)
Residual dipolar couplings (RDCs) constitute an important NMR parameter for structural elucidation in all areas of chemistry. In this study, di(ethylene glycol) methyl ether methacrylate (DEGMEMA)-basedgelsare introduced ...
Self-Sensitized Photooxygenation of 2H-Pyrans: Characterization of Unexpected Products Assisted by Computed Structural Elucidation and Residual Dipolar Couplings
(American Chemical Society, 2015-08)
The UVA (350 nm) irradiation of an α-pyran in the presence of oxygen led to the unexpected formation of a tetraoxygenated compound whose structure could not be unambiguously determined on the basis of conventional 1H-13C ...
Transiently trapped entanglements in model polymer networks
(American Chemical Society, 2009-06)
The relaxational dynamics of trapped entanglements in model silicone polymer networks is studied through the residual dipolar couplings (RDC) obtained by double quantum nuclear magnetic resonance (DQ NMR). These experiments ...
Síntese de cristais líquidos liotrópicos e sua aplicação como meio de alinhamento para obtenção de parâmetros anisotrópicos em RMN
(Universidade Federal de PernambucoUFPEBrasilPrograma de Pos Graduacao em Ciencia de Materiais, 2019)
Many-spin quantum dynamics during cross polarization in 8CB
(American Institute of Physics, 2003-12)
We analyze theoretically and experimentally the quantum dynamics of a three-spin-1/2 system during cross polarization (CP). Our analysis takes into account a Hamiltonian behavior for a carbon C-13 coupled to two protons ...