tert-Butyl 5-methoxy-3-pentylindole-1-carboxylate

he molecule of the title compound, C₁₉H₂₇NO₃, is essentially planar, with all non-H atoms within 0.2 Å of the nine-membered indole plane, except for the three tert-butyl C atoms. The C₅ pentyl chain is in an extended conformation, with three torsion angles of 179.95 (13), 179.65 (13) and -178.95 (15)° (the latter two angles include the C atoms of the C5 chain only). Three intramolecular C-H...O=C contacts are present (C...O 115°), and an intermolecular C-H...O=C contact and π-π stacking complete the intermolecular interactions

First Stars III Conference Summary

The understanding of the formation, life, and death of Population III stars, as well as the impact that these objects had on later generations of structure formation, is one of the foremost issues in modern cosmological research and has been an active area of research during the past several years. We summarize the results presented at "First Stars III," a conference sponsored by Los Alamos National Laboratory, the Kavli Institute for Particle Astrophysics and Cosmology, and the Joint Institute for Nuclear Astrophysics. This conference, the third in a series, took place in July 2007 at the La Fonda Hotel in Santa Fe, New Mexico, U.S.A.Comment: 11 pages, no figures; Conference summary for First Stars III, which was held in Santa Fe, NM on July 15-20, 2007. To appear in "Proceedings of First Stars III," Eds. Brian W. O'Shea, Alexander Heger & Tom Abe

6-(4-Fluorophenyl)-8-phenyl-2,3-dihydro-4H-imidazo[5,1-b][1,3]thiazin-4-one: an unusual [6-5] fused-ring system

The title compound, C₁₈H₁₃FN₂OS, is the first structural example of a [6-5] fused ring incorporating the 2,3-dihydro-4H-imidazo[5,1-b][1,3]thiazin-4-one molecular scaffold. The six-membered 2,3-dihydro-1,3-thiazin-4-one ring adopts an envelope conformation, with the S-CH₂ C atom displaced by 0.761 (2) Å from the five-atom plane (all within 0.05 Å of the mean plane). The imidazole ring is planar. The phenyl ring is twisted from coplanarity with the imidazole ring by 23.84 (5)° and the 4-fluorophenyl ring is twisted by 53.36 (6)°, due to a close C(aryl)-H...O=C contact with the thiazin-4-one carbonyl O atom. The primary intermolecular interaction involves a CH₂ group with the F atom [C...F = 3.256 (2) Å and C-H...F = 137°]

Hidden substance: mental disorder as a challenge to normatively neutral accounts of autonomy

Mental capacity and autonomy are often understood to be normatively neutral ? the only values or other norms they may presuppose are those the assessed person does or would accept. We show how mental disorder threatens normatively neutral accounts of autonomy. These accounts produce false positives, particularly in the case of disorders (such as depression, anorexia nervosa and schizophrenia) that affect evaluative abilities. Two normatively neutral strategies for handling autonomy-undermining disorder are explored and rejected: a blanket exclusion of mental disorder, and functional tests requiring consistency, expression of identity, reflective non-alienation or lack of compulsion. Finally, we suggest ways in which substantivist alternatives to neutrality can be made more promising through increased transparency, democratic contestability of conditions for capacity and autonomy, and a historically sensitive caution concerning restrictions of liberty

Fast, portable, and reliable algorithm for the calculation of Halton numbers

AbstractWe give a recursive algorithm closely based on the definition of Halton numbers— reflection in the radical point of the digits of an integer in an arbitrary-base positional notation—which is, unlike the Halton's short algorithm, not at all affected by the round-off error, and much faster than the recent improvement of the Halton's algorithm by Berblinger and Schlier. Some applications of the Halton numbers are discussed

Predictive validity of the HCR-20 for inpatient aggression:the effect of intellectual disability on accuracy

BackgroundPeople with intellectual disability (ID) account for a large proportion of aggressive incidents in secure and forensic psychiatric services. Although the Historical, Clinical, Risk Management 20 (HCR-20) has good predictive validity in inpatient settings, it does not perform equally in all groups and there is little evidence for its efficacy in those with ID.MethodA pseudo-prospective cohort study of the predictive efficacy of the HCR-20 for those with ID (n = 109) was conducted in a UK secure mental health setting using routinely collected risk data. Performance of the HCR-20 in the ID group was compared with a comparison group of adult inpatients without an ID (n = 504). Analysis controlled for potential covariates including security level, length of stay, gender and diagnosis.ResultsThe HCR-20 total score was a significant predictor of any aggression and of physical aggression for both groups, although the area under the curve values did not reach the threshold for a large effect size. The clinical subscale performed significantly better in those without an ID compared with those with. The ID group had a greater number of relevant historical and risk management items. The clinicians' summary judgment significantly predicted both types of aggressive outcomes in the ID group, but did not predict either in those without an ID.ConclusionsThis study demonstrates that, after controlling for a range of potential covariates, the HCR-20 is a significant predictor of inpatient aggression in people with an ID and performs as well as for a comparison group of mentally disordered individuals without ID. The potency of HCR-20 subscales and items varied between the ID and comparison groups suggesting important target areas for improved prediction and risk management interventions in those with ID

And yet it moves: The dangers of artificially fixing the Milky Way center of mass in the presence of a massive Large Magellanic Cloud

Motivated by recent studies suggesting that the Large Magellanic Cloud (LMC) could be significantly more massive than previously thought, we explore whether the approximation of an inertial Galactocentric reference frame is still valid in the presence of such a massive LMC. We find that previous estimates of the LMC's orbital period and apocentric distance derived assuming a fixed Milky Way are significantly shortened for models where the Milky Way is allowed to move freely in response to the gravitational pull of the LMC. Holding other parameters fixed, the fraction of models favoring first infall is reduced. Due to this interaction, the Milky Way center of mass within the inner 50 kpc can be significantly displaced in phase-space in a very short period of time that ranges from 0.3 to 0.5 Gyr by as much as 30 kpc and 75 km/s. Furthermore, we show that the gravitational pull of the LMC and response of the Milky Way are likely to significantly affect the orbit and phase space distribution of tidal debris from the Sagittarius dwarf galaxy (Sgr). Such effects are larger than previous estimates based on the torque of the LMC alone. As a result, Sgr deposits debris in regions of the sky that are not aligned with the present-day Sgr orbital plane. In addition, we find that properly accounting for the movement of the Milky Way around its common center of mass with the LMC significantly modifies the angular distance between apocenters and tilts its orbital pole, alleviating tensions between previous models and observations. While these models are preliminary in nature, they highlight the central importance of accounting for the mutual gravitational interaction between the MW and LMC when modeling the kinematics of objects in the Milky Way and Local Group.Comment: Accepted for publication in ApJ; 16 pages, 11 figure

The Caterpillar Project: A Large Suite of Milky Way Sized Halos

We present the largest number of Milky Way sized dark matter halos simulated at very high mass ($\sim$$10^4$ M$_\odot$/particle) and temporal resolution ($\sim$5 Myrs/snapshot) done to date, quadrupling what is currently available in the literature. This initial suite consists of the first 24 halos of the $Caterpillar$ $Project$ (www.caterpillarproject.org) whose project goal of 60 - 70 halos will be made public when complete. We resolve $\sim$20,000 gravitationally bound subhalos within the virial radius of each host halo. Over the ranges set by our spatial resolution our convergence is excellent and improvements were made upon current state-of-the-art halo finders to better identify substructure at such high resolutions (e.g., on average we recover $\sim$4 subhalos in each host halo above 10$^8$ M$_\odot$ which would have otherwise not been found using conventional methods). For our relaxed halos, the inner profiles are reasonably fit by Einasto profiles ($\alpha$ = 0.169 $\pm$ 0.023) though this depends on the relaxed nature and assembly history of a given halo. Averaging over all halos, the substructure mass fraction is $f_{m,subs} = 0.121 \pm 0.041$, and mass function slope is d$N$/d$M\propto M^{-1.88 \pm 0.10}$ though we find scatter in the normalizations for fixed halo mass due to more concentrated hosts having less subhalos at fixed subhalo mass. There are no biases stemming from Lagrangian volume selection as all Lagrangian volume types are included in our sample. Our detailed contamination study of 264 low resolution halos has resulted in obtaining very large and unprecedented, high-resolution regions around our host halos for our target resolution (sphere of radius $\sim$$1.4 \pm 0.4$ Mpc) allowing for accurate studies of low mass dwarf galaxies at large galactocentric radii and the very first stellar systems at high redshift ($z \geq$ 10).Comment: 19 pages; 14 figures; 6 tables; Received September 3, 2015; Accepted November 15, 2015; Published February 2, 201