| Program |
During the last few years QM/MM computations based on the CASPT2//CASSCF approach have been employed to investigate spectroscopic and photochemical properties of light-sensitive proteins. In this lecture we will show how the same technology could be used to design light-driven molecular devices. In our lab we are exploring the possibility of designing and synthesizing molecules that could mimic the photoisomerization of the visual pigment Rhodopsin and, in particular its low-temperature photochromism [1]. When embedded in the opsin cavity the Rhodopsin chromophore displays an ultrafast and stereoselective photoisomerization with high quantum yield. In order to design a chromophore displaying a similar efficiency in common solvents we have been looking at diverse alkylated Schiff bases featuring a single isomerizable double bond. In this lecture we show that the indanylidene-pyrroline (NAIP) framework [2-4] provides a computationally and synthetically viable prototype for the development of systems that reproduce the excited state electronic structure and photoisomerization dynamics of Rhodopsin in methanol. We will also show that, on the basis of these studies we have been able to achieve systems that, in perspective, can be used as mechanical or electrostatic switches capable of inverting, reversibly, a ca. 15 D dipole moment upon double bond photoisomerization [5]. [1] Shapiro I., Ryazantsev M. N., Frutos L.-M., Ferré N., Lindh R. & Olivucci M. (2011) J Am Chem Soc 133:3354-3364. [2] Lumento F., Zanirato, V., Fusi, S., Busi, E., Latterini, L., Elisei, F., Sinicropi, A., Andruniów, T., Ferré, N., Basosi, R. & Olivucci, M. (2007) Angew Chem Int Ed Engl 46:414-420. [3] Sinicropi A., Martin, E., Ryasantsev, M., Helbing, J., Briand, J., Sharma, D., Léonard, J., Haacke, S., Cannizzo, A., Chergui, M., Zanirato, V., Fusi, S., Santoro, F., Basosi, R., Ferré, N. & Olivucci, M. (2008) Proc. Nat. Acad. Sci. USA 105:17642-17647. [4] Briand J., Bräm, O., Réhault, J., Léonard, J., Cannizzo, A., Chergui, M., Zanirato, V., Olivucci, M., Helbing, J. & Haacke, S. (2010) Phys Chem Chem Phys 12:3178 - 3187. [5] Melloni A., Rossi Paccani, R., Donati, D., Zanirato, V., Sinicropi, A., Parisi, M. L., Martin, E., Ryazantsev, M., Ding, W. J., Frutos, L. M., Basosi, R., Fusi, S., Latterini, L., Ferré, N. & Olivucci, M. (2010) J Am Chem Soc 132:9310-9319. |
Ursula Keller wins “Swiss Nobel” Marcel Benoist Prize
Farewell: the NCCR MUST ended 
MUST2022 Conference
New scientific highlights
FELs of Europe prize for Jeremy Rouxel
Ruth Signorell wins Doron prize
New FAST-Fellow Uwe Thumm at ETH
International Day of Women and Girls in Science
New scientific highlight
EU XFEL Young Scientist Award for Camila Bacellar,
Prizes for Giulia Mancini and Rebeca Gomez Castillo
Nobel Prize in Chemistry awarded to RESOLV Member Benjamin List
Hans Jakob Wörner invited to give the „New Horizons Solvay Lectures” 
Unusual keynote talk at an international scientific conference
NCCR MUST at Scientifica 2021
