New quantum chemical computations of formamide deuteration support a gas-phase formation of this prebiotic molecule

Based on recent work, formamide might be a potentially very important molecule in the emergence of terrestrial life. Although detected in the interstellar medium for decades, its formation route is still debated, whether in the gas phase or on the dust grain surfaces. Molecular deuteration has proven to be, in other cases, an efficient way to identify how a molecule is synthesised. For formamide, new published observations towards the IRAS16293-2422 B hot corino show that its three deuterated forms have all the same deuteration ratio, 2--5%, and that this is a factor 3--8 smaller than that measured for H2CO towards the IRAS16293-2422 protostar. Following a previous work on the gas-phase formamide formation via the reaction NH2 + H2CO -> HCONH2 + H, we present here new calculations of the rate coefficients for the production of monodeuterated formamide through the same reaction, starting from monodeuterated NH2 or H2CO. Some misconceptions regarding our previous treatment of the reaction are also cleared up. The results of the new computations show that, at the 100 K temperature of the hot corino, the rate of deuteration of the three forms is the same, within 20%. On the contrary, the reaction between non-deuterated species proceeds three times faster than that with deuterated ones. These results confirm that a gas-phase route for the formation of formamide is perfectly in agreement with the available observations.Comment: MNRAS in pres

Gas phase formation of the prebiotic molecule formamide: insights from new quantum computations

New insights into the formation of interstellar formamide, a species of great relevance in prebiotic chemistry, are provided by electronic structure and kinetic calculations for the reaction NH2 + H2CO -> NH2CHO + H. Contrarily to what previously suggested, this reaction is essentially barrierless and can, therefore, occur under the low temperature conditions of interstellar objects thus providing a facile formation route of formamide. The rate coefficient parameters for the reaction channel leading to NH2CHO + H have been calculated to be A = 2.6x10^{-12} cm^3 s^{-1}, beta = -2.1 and gamma = 26.9 K in the range of temperatures 10-300 K. Including these new kinetic data in a refined astrochemical model, we show that the proposed mechanism can well reproduce the abundances of formamide observed in two very different interstellar objects: the cold envelope of the Sun-like protostar IRAS16293-2422 and the molecular shock L1157-B2. Therefore, the major conclusion of this Letter is that there is no need to invoke grain-surface chemistry to explain the presence of formamide provided that its precursors, NH2 and H2CO, are available in the gas-phase.Comment: MNRAS Letters, in pres

Quantum chemical computations of gas-phase glycolaldehyde deuteration and constraints to its formation route

Despite the detection of numerous interstellar complex organic molecules (iCOMs) for decades, it is still a matter of debate whether they are synthesized in the gas-phase or on the icy surface of interstellar grains. In the past, molecular deuteration has been used to constrain the formation paths of small and abundant hydrogenated interstellar species. More recently, the deuteration degree of formamide, one of the most interesting iCOM, has also been explained in the hypothesis that it is formed by the gas-phase reaction NH$_2$ + H$_2$CO. In this article, we aim at using molecular deuteration to constrain the formation of another iCOM, glycolaldehyde, which is an important prebiotic species. More specifically, we have performed dedicated electronic structure and kinetic calculations to establish the glycolaldehyde deuteration degree in relation to that of ethanol, which is its possible parent species according to the suggestion of Skouteris et al. (2018). We found that the abundance ratio of the species containing one D-atom over the all-protium counterpart depends on the produced D isotopomer and varies from 0.9 to 0.5. These theoretical predictions compare extremely well with the monodeuterated isotopomers of glycolaldehyde and that of ethanol measured towards the Solar-like protostar IRAS 16293-2422, supporting the hypothesis that glycolaldehyde could be produced in the gas-phase for this source. In addition, the present work confirms that the deuterium fractionation of iCOMs cannot be simply anticipated based on the deuterium fractionation of the parent species but necessitates a specific study, as already shown for the case of formamide.Comment: Accepted by Ap

Organic molecules in the protoplanetary disk of DG Tau revealed by ALMA

Planets form in protoplanetary disks and inherit their chemical compositions. It is thus crucial to map the distribution and investigate the formation of simple organics, such as formaldehyde and methanol, in protoplanetary disks. We analyze ALMA observations of the nearby disk-jet system around the T Tauri star DG Tau in the o-H$_2$CO $3_{1,2}-2_{1,1}$ and CH$_3$OH $3_{-2,2}-4_{-1,4}$ E, $5_{0,5}-4_{0,4}$ A transitions at an unprecedented resolution of $\sim0.15"$, i.e., $\sim18$ au at a distance of 121 pc. The H$_2$CO emission originates from a rotating ring extending from $\sim40$ au with a peak at $\sim62$ au, i.e., at the edge of the 1.3mm dust continuum. CH$_3$OH emission is not detected down to an r.m.s. of 3 mJy/beam in the 0.162 km/s channel. Assuming an ortho-to-para ratio of 1.8-2.8 the ring- and disk-height-averaged H$_2$CO column density is $\sim0.3-4\times10^{14}$ cm$^{-2}$, while that of CH$_3$OH is $<0.04-0.7\times10^{14}$ cm$^{-2}$. In the inner $40$ au no o-H$_2$CO emission is detected with an upper limit on its beam-averaged column density of $\sim0.5-6\times10^{13}$ cm$^{-2}$. The H$_2$CO ring in the disk of DG Tau is located beyond the CO iceline (R$_{\rm CO}\sim30$ au). This suggests that the H$_2$CO abundance is enhanced in the outer disk due to formation on grain surfaces by the hydrogenation of CO ice. The emission peak at the edge of the mm dust continuum may be due to enhanced desorption of H$_2$CO in the gas phase caused by increased UV penetration and/or temperature inversion. The CH$_3$OH/H$_2$CO abundance ratio is $<1$, in agreement with disk chemistry models. The inner edge of the H$_2$CO ring coincides with the radius where the polarization of the dust continuum changes orientation, hinting at a tight link between the H$_2$CO chemistry and the dust properties in the outer disk and at the possible presence of substructures in the dust distribution.Comment: 8 pages, 6 figures, accepted for publication on A&A Letter

Dynamic titanium prosthesis based on 3D-printed replica for chest wall resection and reconstruction

3D-printing technologies can assist the surgical planning and prosthesis engineering for the management of extended chest wall resection. Different types of prosthesis have been utilized over time, but some concerns remain about their impact on the respiratory function. Here we present a new kind of 3D-printed titanium prosthesis designed to be either strong and flexible. The prosthesis was created on a 1:1 3D-printed anatomic replica of the chest, used to delineate surgical margins and to define the reconstructive requirements

Stratified NH and ND emission in the prestellar core 16293E in L1689N

Context. High degrees of deuterium fractionation are commonly found in cold prestellar cores and in the envelopes around young protostars. As it brings strong constraints to chemical models, deuterium chemistry is often used to infer core history or molecule formation pathways. Whereas a large number of observations are available regarding interstellar deuterated stable molecules, relatively little is known about the deuteration of hydride radicals, as their fundamental rotational transitions are at high frequencies where the atmosphere is mostly opaque. Aims. Nitrogen hydride radicals are important species in nitrogen chemistry, as they are thought to be related to ammonia formation. Observations have shown that ammonia is strongly deuterated, with [NH_2D]/[NH_3] ~ 10%. Models predict similarly high [ND]/[NH] ratios, but so far only one observational determination of this ratio is available, towards the envelope of the protostar IRAS16293-2422. To test model predictions, we aim here to determine [ND]/[NH] in a dense, starless core. Methods. We observed NH and ND in 16293E with the HIFI spectrometer on board the Herschel Space Observatory as part of the CHESS guaranteed time key programme, and derived the abundances of these two species using a non local thermodynamic equilibrium radiative transfer model. Results. Both NH and ND are detected in the source, with ND in emission and NH in absorption against the continuum that arises from the cold dust emission. Our model shows, however, that the ND emission and the NH absorption originate from different layers in the cloud, as further evidenced by their different velocities. In the central region of the core, we can set a lower limit to the [ND]/[NH] ratio of ≳2%. This estimate is consistent with recent pure gas-phase models of nitrogen chemistry

Hydrogen Fluoride in High-Mass Star-forming Regions

Hydrogen fluoride has been established to be an excellent tracer of molecular hydrogen in diffuse clouds. In denser environments, however, the HF abundance has been shown to be approximately two orders of magnitude lower. We present Herschel/HIFI observations of HF J=1-0 toward two high-mass star formation sites, NGC6334 I and AFGL 2591. In NGC6334 I the HF line is seen in absorption in foreground clouds and the source itself, while in AFGL 2591 HF is partially in emission. We find an HF abundance with respect to H2 of 1.5e-8 in the diffuse foreground clouds, whereas in the denser parts of NGC6334 I, we derive a lower limit on the HF abundance of 5e-10. Lower HF abundances in dense clouds are most likely caused by freeze out of HF molecules onto dust grains in high-density gas. In AFGL 2591, the view of the hot core is obstructed by absorption in the massive outflow, in which HF is also very abundant 3.6e-8) due to the desorption by sputtering. These observations provide further evidence that the chemistry of interstellar fluorine is controlled by freeze out onto gas grains.Comment: accepted in Ap

The Environment and Nature of the Class I Protostar Elias 29: Molecular Gas Observations and the Location of Ices

A (sub-)millimeter line and continuum study of the Class I protostar Elias 29 in the ρ Ophiuchi molecular cloud is presented whose goals are to understand the nature of this source and to locate the ices that are abundantly present along this line of sight. Within 15"-60" beams, several different components contribute to the line emission. Two different foreground clouds are detected, an envelope/disk system and a dense ridge of HCO^+-rich material. The latter two components are spatially separated in millimeter interferometer maps. We analyze the envelope/disk system by using inside-out collapse and flared disk models. The disk is in a relatively face-on orientation (<60°), which explains many of the remarkable observational features of Elias 29, such as its flat spectral energy distribution, its brightness in the near-infrared, the extended components found in speckle interferometry observations, and its high-velocity molecular outflow. It cannot account for the ices seen along the line of sight, however. A small fraction of the ices is present in a (remnant) envelope of mass 0.12-0.33 M_☉, but most of the ices (~70%) are present in cool (T < 40 K) quiescent foreground clouds. This explains the observed absence of thermally processed ices (crystallized H_2O) toward Elias 29. Nevertheless, the temperatures could be sufficiently high to account for the low abundance of apolar (CO, N_2, O_2) ices. This work shows that it is crucial to obtain spectrally and spatially resolved information from single-dish and interferometric molecular gas observations in order to determine the nature of protostars and to interpret Infrared Space Observatory and future Space Infrared Telescope Facility observations of ices and silicates along a pencil beam

Imaging stray magnetic field of individual ferromagnetic nanotubes

We use a scanning nanometer-scale superconducting quantum interference device to map the stray magnetic field produced by individual ferromagnetic nanotubes (FNTs) as a function of applied magnetic field. The images are taken as each FNT is led through magnetic reversal and are compared with micromagnetic simulations, which correspond to specific magnetization configurations. In magnetic fields applied perpendicular to the FNT long axis, their magnetization appears to reverse through vortex states, i.e.\ configurations with vortex end domains or -- in the case of a sufficiently short FNT -- with a single global vortex. Geometrical imperfections in the samples and the resulting distortion of idealized mangetization configurations influence the measured stray-field patterns.Comment: 14 pages, 4 figure