Copyright © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
December 18, 2014
Helmut Schwarz and Edward Valeev win 2015 WATOC Awards
The World Association of Theoretical and Computational Chemists (WATOC) has awarded the 2015 Schrödinger Medal to Helmut Schwarz of the Technical University of Berlin (TU Berlin, Germany) and the 2015 Dirac Medal to Edward Valeev of Virginia Tech (USA). The awards will be presented to the two scientists at the next triennial WATOC congress, which will take place in Munich, Germany, in August 2017.
Photos: Left: Prof. Dr. Drs. h.c. Helmut Schwarz (© TU Berlin/PR/Ulrich Dahl). Right: Prof. Dr. Edward Valeev (© Virginia Tech).
Recently Published Articles
- An Approach to NMR Assignment of Intrinsically Disordered Proteins
Nishit Goradia, Christoph Wiedemann, Dr. Christian Herbst, Dr. Matthias Görlach, Prof. Dr. Stefan H. Heinemann, Dr. Oliver Ohlenschläger and Dr. Ramadurai Ramachandran
Article first published online: 30 JAN 2015 | DOI: 10.1002/cphc.201402872
Order, please! A robust and efficient approach to the NMR assignment of intrinsically disordered proteins and protein regions involving sequential data acquisitions with direct detection of both the amide and aliphatic protons is presented.
- Photophysics of a Ruthenium 4H-Imidazole Panchromatic Dye in Interaction with Titanium Dioxide
Julian Schindler , Dr. Stephan Kupfer, Dr. Maria Wächtler, Dr. Julien Guthmuller, Prof. Dr. Sven Rau and Prof. Dr. Benjamin Dietzek
Article first published online: 29 JAN 2015 | DOI: 10.1002/cphc.201402856
Electron injection: The photophysics of a ruthenium 4H-imidazole dye (see picture) is studied by time-resolved spectroscopy. When the dye is anchored to TiO2, photoinduced electron injection occurs from thermally nonrelaxed triplet metal-to-ligand charge transfer states with a characteristic time constant of 0.5 ps and an injection efficiency of roughly 25 %.
- Enhancement of Photophysical and Photosensitizing Properties of Flavin Adenine Dinucleotide by Mutagenesis of the C-Terminal Extension of a Bacterial Flavodoxin Reductase
Dr. Lorena Valle, Dr. Inés Abatedaga, Dr. Faustino E. Morán Vieyra, Dr. Ana Bortolotti, Prof. Dr. Néstor Cortez and Prof. Dr. Claudio D. Borsarelli
Article first published online: 29 JAN 2015 | DOI: 10.1002/cphc.201402774
A little more sensitivity: C-terminal scission or site-specific mutation of Rhodobacter capsulatus ferredoxin–NADP(H) reductase (RcFPR) prevents the charge-transfer quenching of 1FAD* by the conserved Tyr66, producing enhancement of the excited singlet- and triplet-state properties of FAD. This in turn drives the photosensitization of 1O2, challenging the photostability and hence the functionality of the redox flavoprotein.
- Regioselective Long-Range Proton Transfer in New Rifamycin Antibiotics: A Process in which Crown Ethers Act as Stronger Brønsted Bases than Amines
Dr. Krystian Pyta, Prof. Piotr Przybylski and Prof. Franz Bartl
Article first published online: 29 JAN 2015 | DOI: 10.1002/cphc.201402892
Location, location, location: Spectroscopic and theoretical studies reveal the different locations of transferred protons within new crown ether derivatives of rifamycins and the formation of complexes between the crown ether cavity and H3O+ and H5O2+ ions.
- J-Edited Pure Shift NMR for the Facile Measurement of nJHH for Specific Protons
Dr. Sachin Rama Chaudhari and Prof. N. Suryaprakash
Article first published online: 29 JAN 2015 | DOI: 10.1002/cphc.201402792
Pure and simple: 1D J-edited pure shift NMR spectra for the rapid and easy extraction of magnitudes of nJHH for specific protons in a coupled network of spins. The designed experiment is a 1D-based approach constructed from a pseudo 2D spectrum, which can be performed in a couple of minutes and permits straightforward analysis