Tuesday, May 11, 2010

Angewandte Chemie International Edition Dec 30-Apr 13

Angewandte Chemie International Edition
Volume 49 Issue 20, Pages 3481 - 3484

Published Online: 13 Apr 2010
Nuclear Magnetic Resonance Using a Spatial Frequency Encoding: Application to J-Edited Spectroscopy along the Sample
Nicolas Giraud, Dr., Laetitia B├ęguin, Jacques Courtieu, Prof., Denis Merlet, Prof.
Keywords: homonuclear coupling • NMR spectroscopy • pulsed-field gradients • spatial encoding
Abstract: Finger on the pulse: Selective experiments can be simultaneously run on different parts of the sample when NMR sequences based on a spatial encoding are used. This approach was applied to a gradient-encoded selective refocusing sequence. The resultingdata provide a collection of all the couplings that involve a given proton spin, which can be conveniently assigned and measuredfrom only one spectrum.
10.1002/anie.200907103

Angewandte Chemie International Edition
Volume 49 Issue 6, Pages 1071 - 1074

Published Online: 7 Jan 2010
2D TR-NOESY Experiments Interrogate and Rank Ligand-Receptor Interactions in Living Human Cancer Cells
Silvia Mari, Chiara Invernizzi, Andrea Spitaleri, Luca Alberici, Michela Ghitti, Claudio Bordignon, Catia Traversari,Gian-Paolo Rizzardi, Giovanna Musco
Keywords: drug design • integrins • NMR spectroscopy • protein-ligand interactions
Abstract: Cell mates: Various ligand-receptor interactions in different human cancer cell lines were probed directly by two-dimensionaltransferred-NOE spectroscopy (see picture) to prove recognition specificity and determine an affinity ranking of severalligands.
10.1002/anie.200905941

Angewandte Chemie International Edition
Volume 49 Issue 6, Pages 1083 - 1086

Published Online: 30 Dec 2009
NMR Spectra of Terminal Oxo Gold and Platinum Complexes: Relativistic DFT Predictions
Alessandro Bagno, Riccardo Bini
Keywords: density functional calculations • platinum • polyoxometalates • terminal oxo complexes • tungsten
Abstract: Missing in action: Relativistic density-functional methods provide a reliable framework to predict the features of 195Pt,183W, and 17O NMR spectra of terminal oxo Pt and Au complexes (see picture for [P2W20O70Au(O)(OH2)3]9-; Au yellow, W blue,P orange, O red, H white). The complexes have an extremely small HOMO-LUMO gap, and both orbitals are localized on an MOfragment.
10.1002/anie.200905507

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