Supernova explosions and the birth of neutron stars

We report here on recent progress in understanding the birth conditions of neutron stars and the way how supernovae explode. More sophisticated numerical models have led to the discovery of new phenomena in the supernova core, for example a generic hydrodynamic instability of the stagnant supernova shock against low-mode nonradial deformation and the excitation of gravity-wave activity in the surface and core of the nascent neutron star. Both can have supportive or decisive influence on the inauguration of the explosion, the former by improving the conditions for energy deposition by neutrino heating in the postshock gas, the latter by supplying the developing blast with a flux of acoustic power that adds to the energy transfer by neutrinos. While recent two-dimensional models suggest that the neutrino-driven mechanism may be viable for stars from about 8 solar masses to at least 15 solar masses, acoustic energy input has been advocated as an alternative if neutrino heating fails. Magnetohydrodynamic effects constitute another way to trigger explosions in connection with the collapse of sufficiently rapidly rotating stellar cores, perhaps linked to the birth of magnetars. The global explosion asymmetries seen in the recent simulations offer an explanation of even the highest measured kick velocities of young neutron stars.Comment: 10 pages, 8 figures, 19 ps files; to be published in Proc. of Conf. "40 Years of Pulsars: Millisecond Pulsars, Magnetars, and More", August 12-17, 2007, McGill Univ., Montreal, Canada; high-resolution images can be obtained upon request; incorrect panel in fig.8 replace

Internal dynamics of the 3-Pyrroline-N-Oxide ring in spin-labeled proteins

Site-directed spin labeling is a versatile tool to study structure as well as dynamics of proteins using EPR spectroscopy. Methanethiosulfonate (MTS) spin labels tethered through a disulfide linkage to an engineered cysteine residue were used in a large number of studies to extract structural as well as dynamic information on the protein from the rotational dynamics of the nitroxide moiety. The ring itself was always considered to be a rigid body. In this contribution, we present a combination of high-resolution X-ray crystallography and EPR spectroscopy of spin-labeled protein single crystals demonstrating that the nitroxide ring inverts fast at ambient temperature while exhibiting nonplanar conformations at low temperature. We have used quantum chemical calculations to explore the potential energy that determines the ring dynamics as well as the impact of the geometry on the magnetic parameters probed by EPR spectroscopy

AI is a viable alternative to high throughput screening: a 318-target study

: High throughput screening (HTS) is routinely used to identify bioactive small molecules. This requires physical compounds, which limits coverage of accessible chemical space. Computational approaches combined with vast on-demand chemical libraries can access far greater chemical space, provided that the predictive accuracy is sufficient to identify useful molecules. Through the largest and most diverse virtual HTS campaign reported to date, comprising 318 individual projects, we demonstrate that our AtomNet® convolutional neural network successfully finds novel hits across every major therapeutic area and protein class. We address historical limitations of computational screening by demonstrating success for target proteins without known binders, high-quality X-ray crystal structures, or manual cherry-picking of compounds. We show that the molecules selected by the AtomNet® model are novel drug-like scaffolds rather than minor modifications to known bioactive compounds. Our empirical results suggest that computational methods can substantially replace HTS as the first step of small-molecule drug discovery

Am Abend

score and part. 35 cm

Nocturno

score and part. 35 c

Wiegenlied. Op. 69, No. 1. Für Waldhorn mit Klavierbegleitung von Bern. Ed. Müller.

score and part. 35 cm