We present new observations of the nuclear star cluster in the central parsec of the Galaxy with the adaptive optics assisted, integral field spectrograph SINFONI on the ESO/VLT. Our work allows the spectroscopic detection of early and late type stars to m K ≥ 16, more than 2 magnitudes deeper than our previous data sets. Our observations result in a total sample of 177 bona fide early-type stars. We find that most of these Wolf Rayet (WR), O-and B-stars reside in two strongly warped disks between 0.8" and 12" from SgrA*, as well as a central compact concentration (the S-star cluster) centered on SgrA*. The later type B stars (m K > 15) in the radial interval between 0.8" and 12" seem to be in a more isotropic distribution outside the disks. The observed dearth of late type stars in the central few arcseconds is puzzling, even when allowing for stellar collisions. The stellar mass function of the disk stars is extremely top heavy with a best fit power law of dN/dm ∝ m −0.45±0.3 .Since at least the WR/O-stars were formed in situ in a single star formation event ∼6 Myrs ago, this mass function probably reflects the initial mass function (IMF). The mass functions of the S-stars inside 0.8" and of the early-type stars at distances beyond 12" are compatible with a standard Salpeter/Kroupa IMF (best fit power law of dN/dm ∝ m −2.15±0.3 ).

We present spatially resolved imaging and integral field spectroscopy data for 450 cool giant stars within 1 pc from Sgr A*. We use the prominent CO bandheads to derive effective temperatures of individual giants. Additionally we present the deepest spectroscopic observation of the Galactic Center so far, probing the number of B9/A0 main sequence stars (2.2 − 2.8 M ⊙ ) in two deep fields. From spectro-photometry we construct a Hertzsprung-Russell diagram of the red giant population and fit the observed diagram with model populations to derive the star formation history of the nuclear cluster. We find that (1) the average nuclear star-formation rate dropped from an initial maximum ∼ 10 Gyrs ago to a deep minimum 1-2 Gyrs ago and increased again during the last few hundred Myrs, and (2) that roughly 80% of the stellar mass formed more than 5 Gyrs ago; (3) mass estimates within R ∼ 1 pc from Sgr A* favor a dominant star formation mode with a 'normal' Chabrier/Kroupa initial mass function for the majority of the past star formation in the Galactic Center. The bulk stellar mass seems to have formed under conditions significantly different from the young stellar disks, perhaps because at the time of the formation of the nuclear cluster the massive black hole and its sphere of influence was much smaller than today.

We introduce two open source tools to aid the processing and visualisation of ab-initio computed solid-state NMR parameters. The Magres file format for computed NMR parameters (as implemented in CASTEP v8.0 and QuantumEspresso v5.0.0) is implemented. MagresView is built upon the widely used Jmol crystal viewer, and provides an intuitive environment to display computed NMR parameters. It can provide simple pictorial representation of one- and two-dimensional NMR spectra as well as output a selected spin-system for exact simulations with dedicated spin-dynamics software. MagresPython provides a simple scripting environment to manipulate large numbers of computed NMR parameters to search for structural correlations.

Larval fishes suffer prodigious mortality rates, eliminating 99% of the cohort within a few days after their first feeding. Hjort (1914) famously attributed this "critical period" of low survival to larval inability to obtain sufficient food. We discuss recent experimental and modeling work, suggesting that the viscous hydrodynamic regime have marked effects on the mechanism of suction feeding in larval fish. As larvae grow, the size of the gape and associated volume of the mouth increase. At the same time, larvae swim faster and can generate faster suction flows, thus transiting to a hydrodynamic regime of higher Reynolds numbers. This hydrodynamic regime further leads to changes in the spatio-temporal patterns of flow in front of the mouth, and an increasing ability in larger larvae to exert suction forces on the prey. Simultaneously, the increase in swimming speed and the distance from which the prey is attacked result in higher rates of encountering prey by larger (older) larvae. In contrast, during the first few days after feeding commence the lower rates of encounter and success in feeding translate to low feeding rates. We conclude that young larvae experience "hydrodynamic starvation," in which low Reynolds numbers mechanically limit their feeding performance even under high densities of prey.

In this article, we introduce and apply a methodology, based on density functional theory and the gauge-including projector augmented wave approach, to explore the effects of packing interactions on solid-state nuclear magnetic resonance (NMR) parameters. A visual map derived from a so-termed "magnetic shielding contribution field" can be made of the contributions to the magnetic shielding of a specific site-partitioning the chemical shift to specific interactions. The relation to the established approaches of examining the molecule to crystal change in the chemical shift and the nuclear independent chemical shift is established. The results are applied to a large sample of 71 molecular crystals and three further specific examples from supermolecular chemistry and pharmaceuticals. This approach extends the NMR crystallography toolkit and provides insight into the development of both cluster based approaches to the predictions of chemical shifts and for empirical predictions of chemical shifts in solids.

The AIRSS method generates crystal structures for m-aminobenzoic acid; comparison is made to experimental powder X-ray diffraction and MAS NMR.

Weak hydrogen bonds are increasingly hypothesized to play key roles in a wide range of chemistry from catalysis to gelation to polymer structure. Here, 15N/13C spin-echo magic-angle spinning (MAS) solid-state nuclear magnetic resonance (NMR) experiments are applied to “view” intermolecular CH···N hydrogen bonding in two selectively labeled organic compounds, 4-[15N] cyano-4′-[13C2] ethynylbiphenyl (1) and [15N3,13C6]-2,4,6-triethynyl-1,3,5-triazine (2). The synthesis of 2- 15 N 3 , 13 C 6 is reported here for the first time via a multistep procedure, where the key element is the reaction of [15N3]-2,4,6-trichloro-1,3,5-triazine (5) with [13C2]-[(trimethylsilyl)­ethynyl]zinc chloride (8) to afford its immediate precursor [15N3,13C6]-2,4,6-tris­[(trimethylsilyl)­ethynyl]-1,3,5-triazine (9). Experimentally determined hydrogen-bond-mediated 2h J CN couplings (4.7 ± 0.4 Hz (1) and 4.1 ± 0.3 Hz (2)) are compared with density functional theory (DFT) gauge-including projector augmented wave (GIPAW) calculations, whereby species-independent coupling values 2h K CN (29.0 × 1019 kg m–2 s–2 A–2 (1) and 27.9 × 1019 kg m–2 s–2 A–2 (2)) quantitatively demonstrate the J couplings for these “weak” CH···N hydrogen bonds to be of a similar magnitude to those for conventionally observed NH···O hydrogen-bonding interactions in uracil (2h K NO: 28.1 and 36.8 × 1019 kg m–2 s–2 A–2). Moreover, the GIPAW calculations show a clear correlation between increasing 2h J CN (and 3h J CN) coupling and reducing C­(H)···N and H···N hydrogen-bonding distances, with the Fermi contact term accounting for at least 98% of the isotropic 2h J CN coupling.

Structure determination of functional organic compounds remains a formidable challenge when the sample exists as a powder. Nuclear magnetic resonance crystallography approaches based on the comparison of experimental and Density Functional Theory (DFT)-computed 1 H chemical shifts have already demonstrated great potential for structure determination of organic powders, but limitations still persist. In this study, we discuss the possibility of using 13 C-13 C dipolar couplings quantified on powdered theophylline at natural isotopic abundance with the help of dynamic nuclear polarization, to realize a DFT-free, rapid screening of a pool of structures predicted by ab initio random structure search.We show that although 13 C-13 C dipolar couplings can identify structures possessing long range structural motifs and unit cell parameters close to those of the true structure, it must be complemented with other data to recover information about the presence and the chemical nature of the supramolecular interactions.Abbreviations: AIRSS, ab initio random structure search; CSD, Cambridge structural database; CSP, crystal structure prediction; DFT, density functional theory; DNP, dynamic nuclear polarization; DQ, double quantum properties. Although single-crystal diffraction techniques have empowered the determination of three-dimensional molecular structure for a wide range of molecules and materials, diffraction techniques are much less efficient 256