Improving the accuracy and resolution of neutron crystallographic data by three-dimensional profile fitting of Bragg peaks in reciprocal space.

Neutron crystallography is a powerful technique for directly visualizing the locations of H atoms in biological macromolecules. This information has provided key new insights into enzyme mechanisms, ligand binding and hydration. However, despite the importance of this information, the application of neutron crystallography in biology has been limited by the relatively low flux of available neutron beams and the large incoherent neutron scattering from hydrogen, both of which contribute to weak diffraction data with relatively low signal-to-background ratios. A method has been developed to fit weak data based on three-dimensional profile fitting of Bragg peaks in reciprocal space by an Ikeda-Carpenter function with a bivariate Gaussian. When applied to data collected from three different proteins, three-dimensional profile fitting yields intensities with higher correlation coefficients (CC1/2) at high resolutions, decreased Rfree factors, extended resolutions and improved nuclear density maps. Importantly, additional features are revealed in nuclear density maps that may provide additional scientific information. These results suggest that three-dimensional profile fitting will help to extend the capabilities of neutron macromolecular crystallography.

Spiral density waves in a young protoplanetary disk.

Gravitational forces are expected to excite spiral density waves in protoplanetary disks, disks of gas and dust orbiting young stars. However, previous observations that showed spiral structure were not able to probe disk midplanes, where most of the mass is concentrated and where planet formation takes place. Using the Atacama Large Millimeter/submillimeter Array, we detected a pair of trailing symmetric spiral arms in the protoplanetary disk surrounding the young star Elias 2-27. The arms extend to the disk outer regions and can be traced down to the midplane. These millimeter-wave observations also reveal an emission gap closer to the star than the spiral arms. We argue that the observed spirals trace shocks of spiral density waves in the midplane of this young disk.

A Neptune-sized transiting planet closely orbiting a 5­10-million-year-old star.

Theories of the formation and early evolution of planetary systems postulate that planets are born in circumstellar disks, and undergo radial migration during and after dissipation of the dust and gas disk from which they formed. The precise ages of meteorites indicate that planetesimals­the building blocks of planets­are produced within the first million years of a star's life. Fully formed planets are frequently detected on short orbital periods around mature stars. Some theories suggest that the in situ formation of planets close to their host stars is unlikely and that the existence of such planets is therefore evidence of large-scale migration. Other theories posit that planet assembly at small orbital separations may be common. Here we report a newly born, transiting planet orbiting its star with a period of 5.4 days. The planet is 50 per cent larger than Neptune, and its mass is less than 3.6 times that of Jupiter (at 99.7 per cent confidence), with a true mass likely to be similar to that of Neptune. The star is 5­10 million years old and has a tenuous dust disk extending outward from about twice the Earth­Sun separation, in addition to the fully formed planet located at less than one-twentieth of the Earth­Sun separation.

Time-focused crystal analyzer spectrometer.

We outline a linearized analysis of pulsed-source time-of-flight crystal analyzer spectrometers (CAS) based on scattered neutron analysis by crystal monochromators and intended for use in high-resolution quasielastic scattering and Brillouin scattering measurements. Spectrometers of this kind, often called "backscattering spectrometers," provide for high resolution measurements of excitations with typical energies in the range 1-100 microeV in both steady source and pulsed source applications. The analysis is fully general, treating three-dimensionally the geometric conditions for time focusing of the orientations of the source (moderator), sample, monochromator crystal and detector, considered as thin elements having large areas, and allows for the use of mosaic crystal monochromators. We report the results of VITESS Monte Carlo simulations, which verify the analytical focusing conditions for dispersionless excitations, reveal higher-order (than linear) contributions to the resolution widths, and provide absolute intensity estimates.