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Massive star-forming regions exhibit a rich chemistry with complex gas distributions, especially on small scales. While surveys have yielded constraints on typical gas conditions, they often have coarse spatial resolution and limited bandwidths. Thus, to establish an interpretative framework for these efforts, detailed observations that simultaneously provide high sensitivity, spatial resolution, and large bandwidths for a subset of diverse sources are needed. Here, we present wideband (32 GHz) Submillimeter Array observations of four high-mass star-forming regions (G28.20-0.05, G20.08-0.14 N, G35.58-0.03, W33 Main) at subarcsecond resolution, where we detect and spatially-resolve 100s of lines from over 60 molecules, including many complex organic molecules (COMs). The chemical richness of our sample is consistent with an evolutionary sequence from the line-rich hot cores and HC HII regions of G28.20-0.05 and G20.08-0.14 N to the more chemically-modest UC HII regions in G35.58-0.03, followed by the molecule-poor HII region W33 Main. We detect lines across a range of excitation conditions (Eu=20 to >800 K) and from numerous isotopologues, which enables robust estimates of gas properties. We derive nearly constant COM column density ratios that agree with literature values in other low- and high-mass protostellar cores, supporting the idea that COM abundances are set during the pre-stellar phase. In all regions, we identify spatial offsets among different molecular families, due to a combination of source physical structure and chemistry. In particular, we find potential evidence of carbon grain sublimation in G28.20-0.05 and identify an elemental oxygen gradient and rich sulfur-chemistry in G35.58-0.03. Overall, these results demonstrate that the SMA's wide bandwidth is a powerful tool to untangle the complex molecular gas structures associated with massive star formation., Comment: 47 pages, 36 figures, accepted for publication in ApJS. Data and image cubes available at https://zenodo.org/records/13342640

Understanding the formation of carbonyl sulfide (OCS) in interstellar ices is key to constrain the sulfur chemistry in the interstellar medium (ISM), since it is the only ice S-bearing molecule securely detected thus far. Two general pathways for OCS formation have been proposed: sulfurization of CO (CO+S) and oxidation of CS (CS+O), but their relative contribution in interstellar ices remains unconstrained. We have evaluated the contribution of both pathways to OCS formation upon energetic processing in isotopically-labeled CO2:CS2 and CO:CS2 ice samples at 7-50 K. Our results indicated that formation of OCS through the CS+O pathway was more favorable than through the CO+S pathway, as previously suggested by theoretical calculations. In addition, its relative contribution increased at higher temperatures. Therefore, this pathway could play a role in the ice formation of OCS, especially in warm regions where CO is expected to be preferentially in the gas phase. At the same time, we have explored the chemistry of CS2-bearing, CO2-, CO-, and also H2O-rich ices, that could be relevant to the sulfur interstellar chemistry. We observed formation of a variety of S-bearing products in addition to OCS, including SO2, C3S2, and S2. However, a significant fraction of sulfur was not detected at the end of the experiments, and could be locked in long, undetectable sulfur allotropes, one of the potential carriers of the missing sulfur in the dense ISM.

We investigate the impact of nightside cloud formation on the observable night-day contrast of tidally-locked terrestrial planet atmospheres. We demonstrate that, in the case where the planetary dayside is only 10s of Kelvin hotter than the planetary nightside, the presence of optically thick nightside clouds can lead to observations that mimic a planet without an atmosphere, despite the planet actually hosting a significant (10 bar) atmosphere. The scenario presented in this work requires a level of intrinsic atmospheric day/night temperature contrast such that the nightside can form clouds while the dayside is too hot for cloud formation to occur. This scenario is most likely for hotter terrestrials and terrestrials with low volatile inventories. We thus note that a substantial dayside/nightside temperature difference alone does not robustly indicate that a planet does not host an atmosphere and additional observations and modeling are essential for characterization. We further discuss several avenues for future study to improve our understanding of the terrestrial planets and how best to characterize them with JWST., Comment: Accepted to ApJL, 12 pages, 9 figures

FU Ori and EX Lup type objects present natural experiments for understanding a critical stage in the star and planet formation process. These objects offer insight into the diversity of molecules available to forming planetary systems due to a sudden increase in accretion and central luminosity causes the disk and surrounding material to increase in temperature. This allows for volatiles to sublimate off of grains and exist in the gas-phase for tens to hundreds of years post initial outburst. While this dynamic stage may be common for solar-type protostars, observations of the chemical impact of these bursts are rare. In this article, we present observations from the NOrthern Extended Millimeter Array (NOEMA) of five Young Stellar Objects (YSOs) that have undergone outbursts within the past 100 years and catalog the volatile chemistry found within approx 1000 au of the YSO. Only one source clearly shows a line rich spectra with >11 molecules detected including complex organics and water, as is an expected spectra signature for a post-outburst source. This source is V1057 Cyg, and we present it as the northern analog to the well studied and molecule-rich FU Ori source, V883 Ori. Our conclusions on the chemical inventory of the other four sources in our sample are sensitivity limited, as V1057 Cyg contains the highest disk/envelope gas mass., Comment: 11 pages, Accepted to ApJ

Stable isotopic ratios constitute powerful tools for unraveling the thermal and irradiation history of volatiles. In particular, we can use our knowledge of the isotopic fractionation processes active during the various stages of star, disk and planet formation to infer the origins of different volatiles with measured isotopic patterns in our own solar system. Observations of planet-forming disks with the Atacama Large Millimeter/submillimeter Array (ALMA) now readily detect the heavier isotopologues of C, O and N, while the isotopologue abundances and isotopic fractionation mechanisms of sulfur species are less well understood. Using ALMA observations of the SO and SO2 isotopologues in the nearby, molecule-rich disk around the young star Oph-IRS 48 we present the first constraints on the combined 32S/34S and 32S/33S isotope ratios in a planet-forming disk. Given that these isotopologues likely originate in relatively warm gas (>50 K), like most other Oph-IRS 48 volatiles, SO is depleted in heavy sulfur while SO2 is enriched compared to solar system values. However, we cannot completely rule out a cooler gas reservoir, which would put the SO sulfur ratios more in line with comets and other solar system bodies. We also constrain the S18O/SO ratio and find the limit to be consistent with solar system values given a temperature of 60 K. Together these observations show that we should not assume solar isotopic values for disk sulfur reservoirs, but additional observations are needed to determine the chemical origin of the abundant SO in this disk, inform on what isotopic fractionation mechanism(s) are at play, and aid in unravelling the history of the sulfur budget during the different stages of planet formation., Comment: Accepted AJ on 30th August 2024

The mid-infrared water vapor emission spectrum provides a novel way to characterize the delivery of icy pebbles towards the innermost ($<5$ au) regions of planet-forming disks. Recently, JWST MIRI-MRS showed that compact disks exhibit an excess of low-energy water vapor emission relative to extended multi-gapped disks, suggesting that icy pebble drift is more efficient in the former. We carry out detailed emission line modeling to retrieve the excitation conditions of rotational water vapor emission in a sample of four compact and three extended disks within the JDISC Survey. We present two-temperature H$_2$O slab model retrievals and, for the first time, constrain the spatial distribution of water vapor by fitting parametric radial temperature and column density profiles. Such models statistically outperform the two-temperature slab fits. We find a correlation between the observable hot water vapor mass and stellar mass accretion rate, as well as an anti-correlation between cold water vapor mass and sub-mm dust disk radius, confirming previously reported water line flux trends. We find that the mid-IR spectrum traces H$_2$O with temperatures down to 180-300 K, but the coldest 150-170 K gas remains undetected. Furthermore the H$_2$O temperature profiles are generally steeper and cooler than the expected `super-heated' dust temperature in passive irradiated disks. The column density profiles are used to estimate icy pebble mass fluxes, which suggest that compact and extended disks may produce markedly distinct inner-disk exoplanet populations if local feeding mechanisms dominate their assembly., Comment: Accepted for publication in ApJ

Characterizing the chemistry of complex organic molecules (COMs) at the epoch of planet formation provides insights into the chemical evolution of the interstellar medium (ISM) and the origin of organic materials in our Solar System. We report a detection of dimethyl ether (CH$_3$OCH$_3$) in the disk around the Herbig Ae star MWC 480 with the sensitive Atacama Large Millimeter/submillimeter Array observations. This is the first detection of CH$_3$OCH$_3$ in a non-transitional Class II disk. The spatially unresolved, compact (${\lesssim}$25 au in radius) nature, the broad line width ($\sim$30 km s$^{-1}$), and the high excitation temperature (${\sim}$200 K) indicate sublimation of COMs in the warm inner disk. Despite the detection of CH$_3$OCH$_3$, methanol (CH$_3$OH), the most abundant COM in the ISM, has not been detected, from which we constrain the column density ratio of CH$_3$OCH$_3$/CH$_3$OH ${\gtrsim}$7. This high ratio may indicate the reprocessing of COMs during the disk phase, as well as the effect of the physical structure in the inner disk. We also find that this ratio is higher than in COM-rich transition disks recently discovered. This may indicate that, in the full disk of MWC 480, COMs have experienced substantial chemical reprocessing in the innermost region, while the COM emission in the transition disks predominantly traces the inherited ice sublimating at the dust cavity edge located at larger radii (${\gtrsim}$20 au)., Comment: 16 pages, 6 figures, accepted for publication in ApJ

Ice-coated dust grains provide the main reservoir of volatiles that play an important role in planet formation processes and may become incorporated into planetary atmospheres. However, due to observational challenges, the ice abundance distribution in protoplanetary disks is not well constrained. We present JWST/MIRI observations of the edge-on disk HH 48 NE carried out as part of the IRS program Ice Age. We detect CO$_2$, NH$_3$, H$_2$O and tentatively CH$_4$ and NH$_4^+$. Radiative transfer models suggest that ice absorption features are produced predominantly in the 50-100 au region of the disk. The CO$_2$ feature at 15 micron probes a region closer to the midplane (z/r = 0.1-0.15) than the corresponding feature at 4.3 micron (z/r = 0.2-0.6), but all observations trace regions significantly above the midplane reservoirs where we expect the bulk of the ice mass to be located. Ices must reach a high scale height (z/r ~ 0.6; corresponding to modeled dust extinction Av ~ 0.1), in order to be consistent with the observed vertical distribution of the peak ice optical depths. The weakness of the CO$_2$ feature at 15 micron relative to the 4.3 micron feature and the red emission wing of the 4.3 micron CO$_2$ feature are both consistent with ices being located at high elevation in the disk. The retrieved NH$_3$ abundance and the upper limit on the CH$_3$OH abundance relative to H$_2$O are significantly lower than those in the interstellar medium (ISM), but consistent with cometary observations. Full wavelength coverage is required to properly study the abundance distribution of ices in disks. To explain the presence of ices at high disk altitudes, we propose two possible scenarios: a disk wind that entrains sufficient amounts of dust, thus blocking part of the stellar UV radiation, or vertical mixing that cycles enough ices into the upper disk layers to balance ice photodesorption., Comment: 16 pages, 11 figures, accepted in A&A

With two directly detected protoplanets, the PDS 70 system is a unique source in which to study the complex interplay between forming planets and their natal environment. The large dust cavity carved by the two giant planets can affect the disk chemistry, and therefore the molecular emission morphology. On the other hand, chemical properties of the gas component of the disk are expected to leave an imprint on the planetary atmospheres. In this work, we reconstruct the emission morphology of a rich inventory of molecular tracers in the PDS 70 disk, and we look for possible chemical signatures of the two actively accreting protoplanets, PDS b and c. We leverage Atacama Large Millimeter/submillimeter Array (ALMA) band 6 high-angular-resolution and deep-sensitivity line emission observations, together with image and $uv$-plane techniques, to boost the detection of faint lines. We robustly detect ring-shaped emission from $^{12}$CO, $^{13}$CO, C$^{18}$O, H$^{13}$CN, HC$^{15}$N, DCN, H$_2$CO, CS, C$_2$H, and H$^{13}$CO$^{+}$ lines in unprecedented detail. Most of the molecular tracers show a peak of the emission inside the millimeter dust peak. We interpret this as the direct impact of the effective irradiation of the cavity wall, as a result of the planet formation process. Moreover, we have found evidence of an O-poor gas reservoir in the outer disk, which is supported by the observations of bright C-rich molecules, the non-detection of SO, and a lower limit on the $\mathrm{CS/SO}$ ratio of $\sim1$. Eventually, we provide the first detection of the c-C$_3$H$_2$ transitions at 218.73 GHz, and the marginal detection of an azimuthal asymmetry in the higher-energy H$_2$CO (3$_{2,1}$-2$_{2,0}$) line, which could be due to accretion heating near PDS 70b., Comment: 25 pages, 10 figures, 3 tables, 8 figures and one table in appendix. Accepted for publication in A&A

Most stars are born in stellar clusters and their protoplanetary disks, which are the birthplaces of planets, can therefore be affected by the radiation of nearby massive stars. However, little is known about the chemistry of externally irradiated disks, including whether or not their properties are similar to the so-far better-studied isolated disks. Motivated by this question, we present ALMA Band 6 observations of two irradiated Class II protoplanetary disks in the outskirts of the Orion Nebula Cluster (ONC) to explore the chemical composition of disks exposed to (external) FUV radiation fields: the 216-0939 disk and the binary system 253-1536A/B, which are exposed to radiation fields of $10^2-10^3$ times the average interstellar radiation field. We detect lines from CO isotopologues, HCN, H$_2$CO, and C$_2$H toward both protoplanetary disks. Based on the observed disk-integrated line fluxes and flux ratios, we do not find significant differences between isolated and irradiated disks. The observed differences seem to be more closely related to the different stellar masses than to the external radiation field. This suggests that these disks are far enough away from the massive Trapezium stars, that their chemistry is no longer affected by external FUV radiation. Additional observations towards lower-mass disks and disks closer to the massive Trapezium stars are required to elucidate the level of external radiation required to make an impact on the chemistry of planet formation in different kinds of disks., Comment: 32 pages, 22 figures, Accepted for publication in ApJ

SPHEREx, the Spectro-Photometer for the History of the Universe, Epoch of Reionization, and ices Explorer, is a NASA MIDEX mission planned for launch in 2024. SPHEREx will carry out the first all-sky spectral survey at wavelengths between 0.75 micron and 5 micron with spectral resolving power ~40 between 0.75 and 3.8 micron and ~120 between 3.8 and 5 micron At the end of its two-year mission, SPHEREx will provide 0.75-to-5 micron spectra of each 6.2"x6.2" pixel on the sky - 14 billion spectra in all. This paper updates an earlier description of SPHEREx presenting changes made during the mission's Preliminary Design Phase, including a discussion of instrument integration and test and a summary of the data processing, analysis, and distribution plans.

H$_2$CO is a small organic molecule widely detected in protoplanetary disks. As a precursor to grain-surface formation of CH$_3$OH, H$_2$CO is considered an important precursor of O-bearing organic molecules that are locked in ices. Still, since gas-phase reactions can also form H$_2$CO, there remains an open question on the channels by which organics form in disks, and how much the grain versus the gas pathways impact the overall organic reservoir. We present spectrally and spatially resolved Atacama Large Millimeter/submillimeter Array observations of several ortho- and para-H$_2$CO transitions toward the bright protoplanetary disk around the Herbig Ae star HD 163296. We derive column density, excitation temperature, and ortho-to-para ratio (OPR) radial profiles for H$_2$CO, as well as disk-averaged values of $N_{\mathrm{T}}\sim4\times 10^{12}$ cm$^{-2}$, $T_{\mathrm{ex}}\sim20$ K, and $\mathrm{OPR}\sim2.7$, respectively. We empirically determine the vertical structure of the emission, finding vertical heights of $z/r\sim0.1$. From the profiles, we find a relatively constant $\mathrm{OPR}\sim2.7$ with radius, but still consistent with $3.0$ among the uncertainties, a secondary increase of $N_{\mathrm{T}}$ in the outer disk, and low $T_{\mathrm{ex}}$ values that decrease with disk radius. Our resulting radial, vertical, and OPR constraints suggest an increased UV penetration beyond the dust millimeter edge, consistent with an icy origin but also with cold gas-phase chemistry. This Herbig disk contrasts previous results for the T Tauri disk, TW Hya, which had a larger contribution from cold gas-phase chemistry. More observations of other sources are needed to disentangle the dominant formation pathway of H$_2$CO in protoplanetary disks., Comment: 21 pages, 4 tables, 10 figures; V2: minor changes, matches the published version in ApJ

Recent measurements of carbon isotope ratios in both protoplanetary disks and exoplanet atmospheres have suggested a possible transfer of significant carbon isotope fractionation from disks to planets. For a clearer understanding of the isotopic link between disks and planets, it is important to measure the carbon isotope ratios in various species. In this paper, we present a detection of the $^{13}$CN $N=2-1$ hyperfine lines in the TW Hya disk with the Atacama Large Millimeter/submillimeter Array. This is the first spatially-resolved detection of $^{13}$CN in disks, which enables us to measure the spatially resolved $^{12}$CN/$^{13}$CN ratio for the first time. We conducted non-local thermal equilibrium modeling of the $^{13}$CN lines in conjunction with previously observed $^{12}$CN lines to derive the kinetic temperature, ${\rm H_2}$ volume density, and column densities of $^{12}$CN and $^{13}$CN. The ${\rm H_2}$ volume density is found to range between $ (4 - 10)\times10^7 \ {\rm cm^{-3}}$, suggesting that CN molecules mainly reside in the disk upper layer. The $^{12}$CN/$^{13}$CN ratio is measured to be $ 70^{+9}_{-6}$ at $30 < r < 80$ au from the central star, which is similar to the $\rm ^{12}C/^{13}C$ ratio in the interstellar medium. However, this value differs from the previously reported values found for other carbon-bearing molecules (CO and HCN) in the TW Hya disk. This could be self-consistently explained by different emission layer heights for different molecules combined with preferential sequestration of $\rm ^{12}C$ into the solid phase towards the disk midplane. This study reveals the complexity of the carbon isotope fractionation operating in disks., Comment: 16 pages, 7 figures, accepted for publication in ApJ

Observations of disks with the Atacama Large Millimeter/submillimeter Array (ALMA) allow us to map the chemical makeup of nearby protoplanetary disks with unprecedented spatial resolution and sensitivity. The typical outer Class II disk observed with ALMA is one with an elevated C/O ratio and a lack of oxygen-bearing complex organic molecules, but there are now some interesting exceptions: three transition disks around Herbig Ae stars all show oxygen-rich gas traced via the unique detections of the molecules SO and CH3OH. We present the first results of an ALMA line survey at 337 to 357 GHz of such disks and focus this paper on the first Herbig Ae disk to exhibit this chemical signature - HD 100546. In these data, we detect 19 different molecules including NO, SO and CH3OCHO (methyl formate). We also make the first tentative detections of H213CO and 34SO in protoplanetary disks. Multiple molecular species are detected in rings, which are, surprisingly, all peaking just beyond the underlying millimeter continuum ring at 200 au. This result demonstrates a clear connection between the large dust distribution and the chemistry in this flat outer disk. We discuss the physical and/or chemical origin of these sub-structures in relation to ongoing planet formation in the HD 100546 disk. We also investigate how similar and/or different the molecular make up of this disk is to other chemically well-characterised Herbig Ae disks. The line-rich data we present motivates the need for more ALMA line surveys to probe the observable chemistry in Herbig Ae systems which offer unique insight into the composition of disk ices, including complex organic molecules., Comment: Accepted to AJ, 25 pages, 11 figures

The Atacama Large Millimeter/submillimeter Array (ALMA) can probe the molecular content of planet-forming disks with unprecedented sensitivity. These observations allow us to build up an inventory of the volatiles available for forming planets and comets. Herbig Ae transition disks are fruitful targets due to the thermal sublimation of complex organic molecule (COM) and likely H2O-rich ices in these disks. The IRS 48 disk shows a particularly rich chemistry that can be directly linked to its asymmetric dust trap. Here, we present ALMA observations of the IRS 48 disk where we detect 16 different molecules and make the first robust detections of H213CO, 34SO, 33SO and c-H2COCH2 (ethylene oxide) in a protoplanetary disk. All of the molecular emissions, aside from CO, are colocated with the dust trap and this includes newly detected simple molecules such as HCO+, HCN and CS. Interestingly, there are spatial offsets between different molecular families, including between the COMs and sulphur-bearing species, with the latter being more azimuthally extended and located radially further from the star. The abundances of the newly detected COMs relative to CH3OH are higher than the expected protostellar ratios, which implies some degree of chemical processing of the inherited ices during the disk lifetime. These data highlight IRS 48 as a unique astrochemical laboratory to unravel the full volatile reservoir at the epoch of planet and comet formation and the role of the disk in (re)setting chemical complexity., Comment: Accepted to AJ, 21 pages, 7 figures

We present MIRI MRS observations of the large, multi-gapped protoplanetary disk around the T-Tauri star AS 209. The observations reveal hundreds of water vapor lines from 4.9 to 25.5 $\mu$m towards the inner $\sim1$ au in the disk, including the first detection of ro-vibrational water emission in this disk. The spectrum is dominated by hot ($\sim800$ K) water vapor and OH gas, with only marginal detections of CO$_2$, HCN, and a possible colder water vapor component. Using slab models with a detailed treatment of opacities and line overlap, we retrieve the column density, emitting area, and excitation temperature of water vapor and OH, and provide upper limits for the observable mass of other molecules. Compared to MIRI spectra of other T-Tauri disks, the inner disk of AS 209 does not appear to be atypically depleted in CO$_2$ nor HCN. Based on \textit{Spitzer IRS} observations, we further find evidence for molecular emission variability over a 10-year baseline. Water, OH, and CO$_2$ line luminosities have decreased by factors 2-4 in the new MIRI epoch, yet there are minimal continuum emission variations. The origin of this variability is yet to be understood., Comment: Accepted for publication in ApJ

Ice chemistry in the dense, cold interstellar medium (ISM) is probably responsible for the formation of interstellar complex organic molecules (COMs). Recent laboratory experiments performed at T=4 K have shown that irradiation of CO:N2 ice samples analog to the CO-rich interstellar ice layer can contribute to the formation of COMs when H2 molecules are present. We have tested this organic chemistry under a broader range of conditions relevant to the interior of dense clouds by irradiating CO:15N2:H2 ice samples with 2 keV electrons in the 4-15 K temperature range. The H2 ice abundance depended on both, the ice formation temperature and the thermal evolution of the samples. Formation of H-bearing organics such as formaldehyde (H2CO), ketene (C2H2O), and isocyanic acid (H15NCO) was observed upon irradiation of ice samples formed at temperatures up to 10 K, and also in ices formed at 6 K and subsequently warmed up and irradiated at temperatures up to 15 K. These results suggest that a fraction of the H2 molecules in dense cloud interiors might be entrapped in the CO-rich layer of interstellar ice mantles, and that energetic processing of this layer could entail an additional contribution to the formation of COMs in the coldest regions of the ISM.

PDS 70 hosts two massive, still-accreting planets and the inclined orientation of its protoplanetary disk presents a unique opportunity to directly probe the vertical gas structure of a planet-hosting disk. Here, we use high-spatial-resolution (${\approx}$0."1;10 au) observations in a set of CO isotopologue lines and HCO$^+$ J=4-3 to map the full 2D $(r,z)$ disk structure from the disk atmosphere, as traced by $^{12}$CO, to closer to the midplane, as probed by less abundant isotopologues and HCO$^+$. In the PDS 70 disk, $^{12}$CO traces a height of $z/r\approx0.3$, $^{13}$CO is found at $z/r\approx0.1$, and C$^{18}$O originates at, or near, the midplane. The HCO$^+$ surface arises from $z/r\approx0.2$ and is one of the few non-CO emission surfaces constrained with high fidelity in disks to date. In the $^{12}$CO J=3-2 line, we resolve a vertical dip and steep rise in height at the cavity wall, making PDS 70 the first transition disk where this effect is directly seen in line emitting heights. In the outer disk, the CO emission heights of PDS 70 appear typical for its stellar mass and disk size and are not substantially altered by the two inner embedded planets. By combining CO isotopologue and HCO$^+$ lines, we derive the 2D gas temperature structure and estimate a midplane CO snowline of ${\approx}$56-85 au. This implies that both PDS 70b and 70c are located interior to the CO snowline and are likely accreting gas with a high C/O ratio of ${\approx}$1.0, which provides context for future planetary atmospheric measurements from, e.g., JWST, and for properly modeling their formation histories., Comment: 24 pages, 14 figures, accepted for publication in ApJ

The central star and its energetic radiation fields play a vital role in setting the vertical and radial chemical structure of planet-forming disks. We present observations that, for the first time, clearly reveal the UV-irradiated surface of a protoplanetary disk. Specifically, we spatially resolve the atomic-to-molecular (C I-to-CO) transition in the IM Lup disk with ALMA archival observations of [C I] $^3$P$_1$-$^3$P$_0$. We derive a C I emitting height of z/r $\gtrsim$ 0.5 with emission detected out to a radius of ${\approx}$600 au. Compared to other systems with C I heights inferred from unresolved observations or models, the C I layer in the IM Lup disk is at scale heights almost double that of other disks, confirming its highly flared nature. C I arises from a narrow, optically-thin layer that is substantially more elevated than that of $^{12}$CO (z/r $\approx$ 0.3-0.4), which allows us to directly constrain the physical gas conditions across the C I-to-CO transition zone. We also compute a radially-resolved C I column density profile and find a disk-averaged C I column density of 2$\times10^{16}$ cm$^{-2}$, which is ${\approx}$3-20$\times$ lower than that of other disks with spatially-resolved C I detections. We do not find evidence for vertical substructures or spatially-localized deviations in C I due, e.g., to either an embedded giant planet or a photoevaporative wind that have been proposed in the IM Lup disk, but emphasize that deeper observations are required for robust constraints., Comment: 12 pages, 6 figures, accepted for publication in ApJL; references added

Ices are the main carriers of volatiles in protoplanetary disks and are crucial to our understanding of the chemistry that ultimately sets the organic composition of planets. The ERS program Ice Age on the JWST follows the ice evolution through all stages of star and planet formation. JWST/NIRSpec observations of the edge-on Class II protoplanetary disk HH~48~NE reveal spatially resolved absorption features of the major ice components H$_2$O, CO$_2$, CO, and multiple weaker signatures from less abundant ices NH$_3$, OCN$^-$, and OCS. Isotopologue $^{13}$CO$_2$ ice has been detected for the first time in a protoplanetary disk. Since multiple complex light paths contribute to the observed flux, the ice absorption features are filled in by ice-free scattered light. The $^{12}$CO$_2$/$^{13}$CO$_2$ ratio of 14 implies that the $^{12}$CO$_2$ feature is saturated, without the flux approaching 0, indicative of a very high CO$_2$ column density on the line of sight, and a corresponding abundance with respect to hydrogen that is higher than ISM values by a factor of at least a few. Observations of rare isotopologues are crucial, as we show that the $^{13}$CO$_2$ observation allows us to determine the column density of CO$_2$ to be at an order of magnitude higher than the lower limit directly inferred from the observed optical depth. Radial variations in ice abundance, e.g., snowlines, are significantly modified since all observed photons have passed through the full radial extent of the disk. CO ice is observed at perplexing heights in the disk, extending to the top of the CO-emitting gas layer. We argue that the most likely interpretation is that we observe some CO ice at high temperatures, trapped in less volatile ices like H$_2$O and CO$_2$. Future radiative transfer models will be required to constrain the implications on our current understanding of disk physics and chemistry., Comment: 16 pages, 8 figures, accepted for publication in A&A

We present 5 deg^2 (~250 pc^2) HCN, HNC, HCO+, and CO J=1-0 maps of the Orion B GMC, complemented with existing wide-field [CI] 492 GHz maps, as well as new pointed observations of rotationally excited HCN, HNC, H13CN, and HN13C lines. We detect anomalous HCN J=1-0 hyperfine structure line emission almost everywhere in the cloud. About 70% of the total HCN J=1-0 luminosity arises from gas at A_V < 8 mag. The HCN/CO J=1-0 line intensity ratio shows a bimodal behavior with an inflection point at A_V < 3 mag typical of translucent gas and UV-illuminated cloud edges. We find that most of the HCN J=1-0 emission arises from extended gas with n(H2) ~< 10^4 cm^-3, even lower density gas if the ionization fraction is > 10^-5 and electron excitation dominates. This result explains the low-A_V branch of the HCN/CO J=1-0 intensity ratio distribution. Indeed, the highest HCN/CO ratios (~0.1) at A_V < 3 mag correspond to regions of high [CI] 492 GHz/CO J=1-0 intensity ratios (>1) characteristic of low-density PDRs. Enhanced FUV radiation favors the formation and excitation of HCN on large scales, not only in dense star-forming clumps. The low surface brightness HCN and HCO+ J=1-0 emission scale with I_FIR (a proxy of the stellar FUV radiation field) in a similar way. Together with CO J=1-0, these lines respond to increasing I_FIR up to G0~20. On the other hand, the bright HCN J=1-0 emission from dense gas in star-forming clumps weakly responds to I_FIR once the FUV radiation field becomes too intense (G0>1500). The different power law scalings (produced by different chemistries, densities, and line excitation regimes) in a single but spatially resolved GMC resemble the variety of Kennicutt-Schmidt law indexes found in galaxy averages. As a corollary for extragalactic studies, we conclude that high HCN/CO J=1-0 line intensity ratios do not always imply the presence of dense gas., Comment: accepted for publication in A&A. 24 pages, 18 figures, plus Appendix. Abridged Abstract

Peritoneal dialysis (PD) is becoming more popular as a result of a rising interest in home dialysis, lower intrusion in social life and longer preservation of residual kidney function. However, PD has several important drawbacks: small solute clearance is relatively low compared to hemodialysis and technique survival is limited. Application of continuous flow, sorbent-based dialysate regeneration and novel glucose-sparing PD solutions are some solutions proposed to address the limitations of PD. To optimize and personalize current and novel PD therapies, patient peritoneal characteristics interacting with PD techniques need to be studied together and separately as they interplay. However, considering the multitude of parameters, it would be difficult, expensive, and time consuming to optimize all parameter settings only with the help of clinical trials. Mathematical modelling is an exciting tool to dissect these interacting processes and comprehend PD techniques better at a patient specific level. In this review, we look at the history of computational PD models, explore the many ways a computational PD model can be constructed and review the various existing PD models that can be used to optimize and personalize PD treatment., Comment: 58 pages, 5 figures

Theoretical models and observations suggest that the abundances of molecular ions in protoplanetary disks should be highly sensitive to the variable ionization conditions set by the young central star. We present a search for temporal flux variability of HCO+ J=1-0, which was observed as a part of the Molecules with ALMA at Planet-forming Scales (MAPS) ALMA Large Program. We split out and imaged the line and continuum data for each individual day the five sources were observed (HD 163296, AS 209, GM Aur, MWC 480, and IM Lup, with between 3 to 6 unique visits per source). Significant enhancement (>3\sigma) was not observed, but we find variations in the spectral profiles in all five disks. Variations in AS 209, GM Aur, and HD 163296 are tentatively attributed to variations in HCO+ flux, while variations in IM Lup and MWC 480 are most likely introduced by differences in the \textit{uv} coverage, which impact the amount of recovered flux during imaging. The tentative detections and low degree of variability are consistent with expectations of X-ray flare driven HCO+ variability, which requires relatively large flares to enhance the HCO+ rotational emission at significant (>20%) levels. These findings also demonstrate the need for dedicated monitoring campaigns with high signal to noise ratios to fully characterize X-ray flare driven chemistry., Comment: Accepted for publication in ApJ, 18 pages, 9 figures

Context. The availability of large bandwidth receivers for millimeter radio telescopes allows the acquisition of position-position-frequency data cubes over a wide field of view and a broad frequency coverage. These cubes contain much information on the physical, chemical, and kinematical properties of the emitting gas. However, their large size coupled with inhomogenous signal-to-noise ratio (SNR) are major challenges for consistent analysis and interpretation.Aims. We search for a denoising method of the low SNR regions of the studied data cubes that would allow to recover the low SNR emission without distorting the signals with high SNR.Methods. We perform an in-depth data analysis of the 13 CO and C 17 O (1 -- 0) data cubes obtained as part of the ORION-B large program performed at the IRAM 30m telescope. We analyse the statistical properties of the noise and the evolution of the correlation of the signal in a given frequency channel with that of the adjacent channels. This allows us to propose significant improvements of typical autoassociative neural networks, often used to denoise hyperspectral Earth remote sensing data. Applying this method to the 13 CO (1 -- 0) cube, we compare the denoised data with those derived with the multiple Gaussian fitting algorithm ROHSA, considered as the state of the art procedure for data line cubes.Results. The nature of astronomical spectral data cubes is distinct from that of the hyperspectral data usually studied in the Earth remote sensing literature because the observed intensities become statistically independent beyond a short channel separation. This lack of redundancy in data has led us to adapt the method, notably by taking into account the sparsity of the signal along the spectral axis. The application of the proposed algorithm leads to an increase of the SNR in voxels with weak signal, while preserving the spectral shape of the data in high SNR voxels.Conclusions. The proposed algorithm that combines a detailed analysis of the noise statistics with an innovative autoencoder architecture is a promising path to denoise radio-astronomy line data cubes. In the future, exploring whether a better use of the spatial correlations of the noise may further improve the denoising performances seems a promising avenue. In addition

Embedded planets are potentially the cause of substructures like gaps and cavities observed in several protoplanetary disks. Thus, the substructures observed in the continuum and in line emission encode information about the presence of planets in the system and how they interact with the natal disk. The pre-transitional disk around the star PDS 70 is the first case of two young planets imaged within a dust depleted gap that was likely carved by themselves. We aim to determine the spatial distribution of the gas and dust components in the PDS 70 disk. The axisymmetric substructures observed in the resulting profiles are interpreted in the context of planet-disk interactions. We develop a thermo-chemical forward model for an axisymmetric disk to explain a subset of the Atacama Large Millimeter/Submillimeter Array (ALMA) band 6 observations of three CO isotopologues plus the continuum towards PDS 70. Combining the inferred gas and dust distributions, the model results in a variable gas-to-dust ratio profile throughout the disk that spans two orders of magnitude within the first $130$ au and shows a step gradient towards the outer disk, which is consistent with the presence of a pressure maxima driven by planet-disk interactions. We find a gas density drop factor of ${\sim} 19$ at the location of the planet PDS 70 c with respect to the peak gas density at $75$ au. Combining this value with literature results on the hydrodynamics of planet-disk interactions, we find this gas gap depth to be consistent with independent planet mass estimates from infrared observations. Our findings point towards gas stirring processes taking place in the common gap due to the gravitational perturbation of both planets., Comment: Accepted for publication in A&A

Planets form in dusty, gas-rich disks around young stars, while at the same time, the planet formation process alters the physical and chemical structure of the disk itself. Embedded planets will locally heat the disk and sublimate volatile-rich ices, or in extreme cases, result in shocks that sputter heavy atoms such as Si from dust grains. This should cause chemical asymmetries detectable in molecular gas observations. Using high-angular-resolution ALMA archival data of the HD 169142 disk, we identify compact SO J=8$_8$-7$_7$ and SiS J=19-18 emission coincident with the position of a ${\sim}$2 M$_{\rm{Jup}}$ planet seen as a localized, Keplerian NIR feature within a gas-depleted, annular dust gap at ${\approx}$38 au. The SiS emission is located along an azimuthal arc and has a similar morphology as a known $^{12}$CO kinematic excess. This is the first tentative detection of SiS emission in a protoplanetary disk and suggests that the planet is driving sufficiently strong shocks to produce gas-phase SiS. We also report the discovery of compact $^{12}$CO and $^{13}$CO J=3-2 emission coincident with the planet location. Taken together, a planet-driven outflow provides the best explanation for the properties of the observed chemical asymmetries. We also resolve a bright, azimuthally-asymmetric SO ring at ${\approx}$24 au. While most of this SO emission originates from ice sublimation, its asymmetric distribution implies azimuthal temperature variations driven by a misaligned inner disk or planet-disk interactions. Overall, the HD 169142 disk shows several distinct chemical signatures related to giant planet formation and presents a powerful template for future searches of planet-related chemical asymmetries in protoplanetary disks., Comment: 22 pages, 12 figures, accepted for publication in ApJL

The abundance and distribution of ice in protoplanetary disks (PPD) is critical to understand the linkage between the composition of circumstellar matter and the composition of exoplanets. Edge-on PPDs are a useful tool to constrain such ice composition and its location in the disk, as ice spectral signatures can be observed in absorption against the continuum emission arising from the warmer central disk regions. The aim of this work is to model ice absorption features in PPDs and determine how well the abundance of the main ice species across the disk can be determined within the uncertainty of the physical parameter space. The edge-on PPD around HH 48 NE, a target of the JWST ERS program IceAge, is used as a reference system. We use RADMC-3D to raytrace the mid-infrared continuum. Using a constant parameterized ice abundance, ice opacities are added to the dust opacity in regions wherever the disk is cold enough for the main carbon, oxygen and nitrogen carriers to freeze out. The global abundance of the main ice carriers in HH 48 NE can be determined within a factor of 3, when taking the uncertainty of the physical parameters into account. Ice features in PPDs can be saturated at an optical depth <1, due to local saturation. Spatially observed ice optical depths cannot be directly related to column densities due to radiative transfer effects. Vertical snowlines will not be a clear transition due to the radially increasing height of the snowsurface, but their location may be constrained from observations using radiative transfer modeling. Radial snowlines are not really accesible. Not only the ice abundance, but also inclination, settling, grain size distribution and disk mass have strong impact on the observed ice absorption features in disks. Relative changes in ice abundance can be inferred from observations only if the source structure is well constrained, Comment: 18 pages, 12 figures, accepted for publication in Astronomy & Astrophysics

Context. Observations of edge-on disks are an important tool for constraining general protoplanetary disk properties that cannot be determined in any other way. However, most radiative transfer models cannot simultaneously reproduce the spectral energy distributions (SEDs) and resolved scattered light and submillimeter observations of these systems, due to the differences in geometry and dust properties at different wavelengths. Aims. We simultaneously constrain the geometry of the edge-on protoplanetary disk HH 48 NE and the characteristics of the host star. HH 48 NE is part of the JWST early release science program Ice Age. This work serves as a stepping stone towards a better understanding of the disk physical structure and icy chemistry in this particular source. This kind of modeling lays the groundwork for studying other edge-on sources to be observed with the JWST. Methods. We fit a parameterized dust model to HH 48 NE by coupling the radiative transfer code RADMC-3D and an MCMC framework. The dust structure was fitted independently to a compiled SED, a scattered light image at 0.8 ${\mu}$m and an ALMA dust continuum observation at 890 ${\mu}$m. Results. We find that 90% of the dust mass in HH 48 NE is settled to the disk midplane, less than in average disks, and that the atmospheric layers of the disk contain exclusively large grains (0.3-10 ${\mu}$m). The exclusion of small grains in the upper atmosphere likely has important consequences for the chemistry due to the deep penetration of high-energy photons. The addition of a relatively large cavity (ca. 50 au in radius) is necessary to explain the strong mid-infrared emission, and to fit the scattered light and continuum observations simultaneously., Comment: 16 pages, 8 figures, accepted for publication in Astronomy & Astrophysics

In this article we address a well-known problem at the intersection of ergodic theory and statistical mechanics. We prove that there exists a continuous eigenfunction for the transfer operator corresponding to pair potentials that satisfy a square summability condition, when the inverse temperature is subcritical. As a corollary we obtain a continuous eigenfunction for the classical Dyson model, with interactions $\J(k)=\beta \, k^{-\alpha}$, $k\ge1$, in the whole subcritical regime $\beta<\beta_c$ for which the parameter $\alpha$ is greater than $3/2$.

We study the kinematics of the AS 209 disk using the J=2-1 transitions of $^{12}$CO, $^{13}$CO, and C$^{18}$O. We derive the radial, azimuthal, and vertical velocity of the gas, taking into account the lowered emission surface near the annular gap at ~1.7 (200 au) within which a candidate circumplanetary disk-hosting planet has been reported previously. In $^{12}$CO and $^{13}$CO, we find a coherent upward flow arising from the gap. The upward gas flow is as fast as $150~{\rm m~s}^{-1}$ in the regions traced by $^{12}$CO emission, which corresponds to about 50% of the local sound speed or $6\%$ of the local Keplerian speed. Such an upward gas flow is difficult to reconcile with an embedded planet alone. Instead, we propose that magnetically driven winds via ambipolar diffusion are triggered by the low gas density within the planet-carved gap, dominating the kinematics of the gap region. We estimate the ambipolar Elsasser number, Am, using the HCO$^+$ column density as a proxy for ion density and find that Am is ~0.1 at the radial location of the upward flow. This value is broadly consistent with the value at which numerical simulations find ambipolar diffusion drives strong winds. We hypothesize the activation of magnetically-driven winds in a planet-carved gap can control the growth of the embedded planet. We provide a scaling relationship which describes the wind-regulated terminal mass: adopting parameters relevant to 100 au from a solar-mass star, we find the wind-regulated terminal mass is about one Jupiter mass, which may help explain the dearth of directly imaged super-Jovian-mass planets., Comment: This paper has been accepted for publication in the Astrophysical Journal (ApJ)

We see an explosive global labour demand in the Software Industry, and higher education institutions play a crucial role in supplying the industry with professionals with relevant education. Existing literature identifies a gap between what software engineering education teaches students and what the software industry demands. Using our open-sourced Job Market AnalyseR (JMAR) text-analysis tool, we compared keywords from higher education course syllabi and job posts to investigate the knowledge gap from a technology-focused departure point. We present a trend analysis of technology in job posts over the past six years in Sweden. We found that demand for cloud and automation technology such as Kubernetes and Docker is rising in job ads but not that much in higher education syllabi. The language used in higher education syllabi and job ads differs where the former emphasizes concepts and the latter technologies more heavily. We discuss possible remedies to bridge this mismatch to draw further conclusions in future work, including calibrating JMAR to other industry-relevant aspects, including soft skills, software concepts, or new demographics., Comment: 16 pages

In this paper we solve two open problems in ergodic theory. We prove first that if a Doeblin function $g$ (a $g$-function) satisfies \[\limsup_{n\to\infty}\frac{\mbox{var}_n \log g}{n^{-1/2}} < 2,\] then we have a unique Doeblin measure ($g$-measure). This result indicates a possible phase transition in analogy with the long-range Ising model. Secondly, we provide an example of a Doeblin function with a unique Doeblin measure that is not weakly mixing, which implies that the sequence of iterates of the transfer operator does not converge, solving a well-known folklore problem in ergodic theory. Previously it was only known that uniqueness does not imply the Bernoulli property., Comment: 21 Pages

Protoplanetary disks around Herbig AeBe stars are exciting targets for studying the chemical environments where giant planets form. Save for a few disks, however, much of Herbig AeBe disk chemistry is an open frontier. We present a Submillimeter Array (SMA) $\sim$213-268 GHz pilot survey of mm continuum, CO isotopologues, and other small molecules in disks around five Herbig AeBe stars (HD 34282, HD 36112, HD 38120, HD 142666, and HD 144432). We detect or tentatively detect $^{12}$CO 2--1 and $^{13}$CO 2--1 from four disks; C$^{18}$O 2--1 and HCO$^+$ 3--2 from three disks; HCN 3--2, CS 5--4, and DCO$^+$ 3--2 from two disks; and C$_2$H 3--2 and DCN 3--2 from one disk each. H$_2$CO 3--2 is undetected at the sensitivity of our observations. The mm continuum images of HD 34282 suggest a faint, unresolved source $\sim$5\farcs0 away, which could arise from a distant orbital companion or an extended spiral arm. We fold our sample into a compilation of T Tauri and Herbig AeBe/F disks from the literature. Altogether, most line fluxes generally increase with mm continuum flux. Line flux ratios between CO 2--1 isotopologues are nearest to unity for the Herbig AeBe/F disks. This may indicate emitting layers with relatively similar, warmer temperatures and more abundant CO relative to disk dust mass. Lower HCO$^+$ 3--2 flux ratios may reflect less ionization in Herbig AeBe/F disks. Smaller detection rates and flux ratios for DCO$^+$ 3--2, DCN 3--2, and H$_2$CO 3--2 suggest smaller regimes of cold chemistry around the luminous Herbig AeBe/F stars., Comment: 43 pages (23 pages in the main document, 20 pages in the appendix), 16 figures, 16 tables. Accepted in ApJ (February 2023)

Dielectrophoresis is an electric field-based technique for moving neutral particles through a fluid. When used for particle separation, dielectrophoresis has many advantages compared to other methods, providing label-free operation with greater control of the separation forces. In this paper, we design, build, and test a low-voltage dielectrophoretic device using a 3D printing approach. This lab-on-a-chip device fits on a microscope glass slide and incorporates microfluidic channels for particle separation. First, we use multiphysics simulations to evaluate the separation efficiency of the prospective device and guide the design process. Second, we fabricate the device in PDMS (polydimethylsiloxane) by using 3D-printed moulds that contain patterns of the channels and electrodes. The imprint of the electrodes is then filled with silver conductive paint, making a 9 pole comb electrode. Lastly, we evaluate the separation efficiency of our device by introducing a mixture of 3 $\mu$m and 10 $\mu$m polystyrene particles and tracking their progression. Our device is able to efficiently separate these particles when the electrodes are energized with $\pm$12 V at 75 kHz. Overall, our method allows the fabrication of cheap and effective dielectrophoretic microfluidic devices using commercial off-the-shelf equipment., Comment: 1 supporting information file

High spatial resolution observations of CO isotopologue line emission in protoplanetary disks at mid-inclinations (${\approx}$30-75{\deg}) allow us to characterize the gas structure in detail, including radial and vertical substructures, emission surface heights and their dependencies on source characteristics, and disk temperature profiles. By combining observations of a suite of CO isotopologues, we can map the 2D (r, z) disk structure from the disk upper atmosphere, as traced by CO, to near the midplane, as probed by less abundant isotopologues. Here, we present high angular resolution (${\lesssim}$0."1 to ${\approx}$0."2; ${\approx}$15-30 au) observations of CO, $^{13}$CO, and C$^{18}$O in either or both J=2-1 and J=3-2 lines in the transition disks around DM Tau, Sz 91, LkCa 15, and HD 34282. We derived line emission surfaces in CO for all disks and in $^{13}$CO for the DM Tau and LkCa 15 disks. With these observations, we do not resolve the vertical structure of C$^{18}$O in any disk, which is instead consistent with C$^{18}$O emission originating from the midplane. Both the J=2-1 and J=3-2 lines show similar heights. Using the derived emission surfaces, we computed radial and vertical gas temperature distributions for each disk, including empirical temperature models for the DM Tau and LkCa 15 disks. After combining our sample with literature sources, we find that $^{13}$CO line emitting heights are also tentatively linked with source characteristics, e.g., stellar host mass, gas temperature, disk size, and show steeper trends than seen in CO emission surfaces., Comment: 31 pages, 15 figures, accepted for publication in ApJ. Image cubes available at https://zenodo.org/record/7430257

Deuterium fractionation provides a window to the thermal history of volatiles in the solar system and protoplanetary disks. While evidence of active molecular deuteration has been observed towards a handful of disks, it remains unclear whether this chemistry affects the composition of forming planetesimals due to limited observational constraints on the radial and vertical distribution of deuterated molecules. To shed light on this question, we introduce new ALMA observations of DCO$^+$ and DCN $J=2-1$ at an angular resolution of $0.5"$ (30 au) and combine them with archival data of higher energy transitions towards the protoplanetary disk around TW Hya. We carry out a radial excitation analysis assuming both LTE and non-LTE to localize the physical conditions traced by DCO$^+$ and DCN emission in the disk, thus assessing deuterium fractionation efficiencies and pathways at different disk locations. We find similar disk-averaged column densities of $1.9\times10^{12}$ and $9.8\times10^{11}$ cm$^{-2}$ for DCO$^{+}$ and DCN, with typical kinetic temperatures for both molecules of 20-30K, indicating a common origin near the comet- and planet-forming midplane. The observed DCO$^+$/DCN abundance ratio, combined with recent modeling results, provide tentative evidence of a gas phase C/O enhancement within $<40$ au. Observations of DCO$^+$ and DCN in other disks, as well as HCN and HCO$^+$, will be necessary to place the trends exhibited by TW Hya in context, and fully constrain the main deuteration mechanisms in disks., Comment: Fixed author information

Understanding the initial properties of star-forming material and how they affect the star formation process is key. From an observational point of view, the feedback from young high-mass stars on future star formation properties is still poorly constrained. In the framework of the IRAM 30m ORION-B large program, we obtained observations of the translucent and moderately dense gas, which we used to analyze the kinematics over a field of 5 deg^2 around the filamentary structures. We used the ROHSA algorithm to decompose and de-noise the C18O(1-0) and 13CO(1-0) signals by taking the spatial coherence of the emission into account. We produced gas column density and mean velocity maps to estimate the relative orientation of their spatial gradients. We identified three cloud velocity layers at different systemic velocities and extracted the filaments in each velocity layer. The filaments are preferentially located in regions of low centroid velocity gradients. By comparing the relative orientation between the column density and velocity gradients of each layer from the ORION-B observations and synthetic observations from 3D kinematic toy models, we distinguish two types of behavior in the dynamics around filaments: (i) radial flows perpendicular to the filament axis that can be either inflows (increasing the filament mass) or outflows and (ii) longitudinal flows along the filament axis. The former case is seen in the Orion B data, while the latter is not identified. We have also identified asymmetrical flow patterns, usually associated with filaments located at the edge of an HII region. This is the first observational study to highlight feedback from HII regions on filament formation and, thus, on star formation in the Orion B cloud. This simple statistical method can be used for any molecular cloud to obtain coherent information on the kinematics., Comment: 45 pages. Abridged abstract. Accepted by Astronomy and Astrophysics

The distribution of molecules between the gas and solid phase during star and planet formation, determines the trajectory of gas and grain surface chemistry, as well as the delivery of elements to nascent planets. This distribution is primarily set by the binding energies of different molecules to water ice surfaces. We computationally estimated the binding energies of ten astrochemically relevant P-bearing species on water surface, we also validate our method for 20 species with known binding energies. We used DFT calculations (M06-2X/aug-cc-pVDZ) to calculate the energetics of molecules and water-molecule clusters (1-3 H$_2$O molecules) and from this determined the binding energy by comparing the complex and the separate molecule and cluster energies. We also explore whether these estimates can be improved by first calibrating our computational method using experimentally measured binding energies. Using the 20 reference molecules we find that the 2H$_2$O cluster size yields the best binding energy estimates and that the application of a calibration to the data may improve the results for some classes of molecules, including more refractory species. Based on these calculations we find that, small P-bearing molecules such as PH$_3$, PN, PO, HPO, PO$_2$ and POOH are relatively volatile and should desorb prior or concomitantly with water ice, while H$_2$PO, HPO$_2$, PO$_3$, PO$_2$OH can strongly bind to any hydroxylated surface, and will likely remain on the interstellar grains surface past the desorbtion of water ice. The depletion of P-carriers on grains constitute a pathway for the inclusion of Phosphorous molecules in planets and planetesimals.

This work presents ground-based spectrally-resolved water emission at R = 30000-100000 over infrared wavelengths covered by JWST (2.9-12.8 $\mu$m). Two new surveys with iSHELL and VISIR are combined with previous spectra from CRIRES and TEXES to cover parts of multiple ro-vibrational and rotational bands observable within telluric transmission bands, for a total of $\approx160$ spectra and 85 disks (30 of which are JWST targets in Cycle 1). The general expectation of a range of regions and excitation conditions traced by infrared water spectra is for the first time supported by the combined kinematics and excitation as spectrally resolved at multiple wavelengths. The main findings from this analysis are: 1) water lines are progressively narrower from the ro-vibrational bands at 2-9 $\mu$m to the rotational lines at 12 $\mu$m, and partly match a broad (BC) and narrow (NC) emission components, respectively, as extracted from ro-vibrational CO spectra; 2) rotation diagrams of resolved water lines from upper level energies of 4000-9500 K show vertical spread and curvatures indicative of optically thick emission ($\approx 10^{18}$ cm$^{-2}$) from a range of excitation temperatures ($\approx 800$-1100 K); 3) the new 5 $\mu$m spectra demonstrate that slab model fits to the rotational lines at $> 10$ $\mu$m strongly over-predict the ro-vibrational emission bands at $< 9$ $\mu$m, implying non-LTE vibrational excitation. We discuss these findings in the context of emission from a disk surface and a molecular inner disk wind, and provide a list of guidelines to support the analysis of spectrally-unresolved JWST spectra., Comment: Accepted for publication on AJ

We present deep high-resolution ($\sim$50 mas, 8 au) ALMA 0.88 and 1.3 mm continuum observations of the LkCa 15 disk. The emission morphology shows an inner cavity and three dust rings at both wavelengths, but with slightly narrower rings at the longer wavelength. Along a faint ring at 42 au, we identify two excess emission features at $\sim$10$\sigma$ significance at both wavelengths: one as an unresolved clump and the other as an extended arc, separated by roughly 120 degrees in azimuth. The clump is unlikely to be a circumplanetary disk (CPD) as the emission peak shifts between the two wavelengths even after accounting for orbital motion. Instead, the morphology of the 42 au ring strongly resembles the characteristic horseshoe orbit produced in planet--disk interaction models, where the clump and the arc trace dust accumulation around Lagrangian points $L_{4}$ and $L_{5}$, respectively. The shape of the 42 au ring, dust trapping in the outer adjacent ring, and the coincidence of the horseshoe ring location with a gap in near-IR scattered light, are all consistent with the scenario of planet sculpting, with the planet likely having a mass between those of Neptune and Saturn. We do not detect point-like emission associated with a CPD around the putative planet location ($0.''27$ in projected separation from the central star at a position angle of $\sim$60\degr), with upper limits of 70 and 33 $\mu$Jy at 0.88 and 1.3 mm, respectively, corresponding to dust mass upper limits of 0.02--0.03 $M_{\oplus}$., Comment: ApJL in press

Planetary systems such as our own are formed after a long process where matter condenses from diffuse clouds to stars, planets, asteroids, comets and residual dust, undergoing dramatic changes in physical and chemical state in less than a few million years. Several studies have shown that the chemical composition during the early formation of a Solar-type planetary system is a powerful diagnostic to track the history of the system itself. Among the approximately 270 molecules so far detected in the ISM, the so-called interstellar complex organic molecules (iCOMs) are of particular interest both because of their evolutionary diagnostic power and because they might be potential precursors of biomolecules, which are at the basis of terrestrial life. This Chapter focuses on the evolution of organic molecules during the early stages of a Solar-type planetary system, represented by the prestellar, Class 0/I and protoplanetary disk phases, and compares them with what is observed presently in Solar System comets. Our twofold goal is to review the processes at the base of organic chemistry during Solar-type star formation and, in addition, to possibly provide constraints on the early history of our own planetary system., Comment: Chapter for Protostars & Planets VII

High spatial resolution CO observations of mid-inclination (30-75{\deg}) protoplanetary disks offer an opportunity to study the vertical distribution of CO emission and temperature. The asymmetry of line emission relative to the disk major axis allows for a direct mapping of the emission height above the midplane, and for optically-thick, spatially-resolved emission in LTE, the intensity is a measure of the local gas temperature. Our analysis of ALMA archival data yields CO emission surfaces, dynamically-constrained stellar host masses, and disk atmosphere gas temperatures for the disks around: HD 142666, MY Lup, V4046 Sgr, HD 100546, GW Lup, WaOph 6, DoAr 25, Sz 91, CI Tau, and DM Tau. These sources span a wide range in stellar masses (0.50-2.10 M$_{\odot}$), ages (${\sim}$0.3-23 Myr), and CO gas radial emission extents (${\approx}$200-1000 au). This sample nearly triples the number of disks with mapped emission surfaces and confirms the wide diversity in line emitting heights ($z/r\approx0.1$ to ${\gtrsim}0.5$) hinted at in previous studies. We compute radial and vertical CO gas temperature distributions for each disk. A few disks show local temperature dips or enhancements, some of which correspond to dust substructures or the proposed locations of embedded planets. Several emission surfaces also show vertical substructures, which all align with rings and gaps in the millimeter dust. Combining our sample with literature sources, we find that CO line emitting heights weakly decline with stellar mass and gas temperature, which, despite large scatter, is consistent with simple scaling relations. We also observe a correlation between CO emission height and disk size, which is due to the flared structure of disks. Overall, CO emission surfaces trace ${\approx}2$-$5\times$ gas pressure scale heights (H$_{\rm{g}}$) and could potentially be calibrated as empirical tracers of H$_{\rm{g}}$., Comment: 31 pages, 17 figures, accepted for publication in ApJ. Image cubes available at https://zenodo.org/record/6410045

While protoplanetary disks are often treated as isolated systems in planet formation models, observations increasingly suggest that vigorous interactions between Class II disks and their environments are not rare. DO Tau is a T Tauri star that has previously been hypothesized to have undergone a close encounter with the HV Tau system. As part of the DESTINYS ESO Large Programme, we present new VLT/SPHERE polarimetric observations of DO Tau and combine them with archival HST scattered light images and ALMA observations of CO isotopologues and CS to map a network of complex structures. The SPHERE and ALMA observations show that the circumstellar disk is connected to arms extending out to several hundred au. HST and ALMA also reveal stream-like structures northeast of DO Tau, some of which are at least several thousand au long. These streams appear not to be gravitationally bound to DO Tau, and comparisons with previous Herschel far-IR observations suggest that the streams are part of a bridge-like structure connecting DO Tau and HV Tau. We also detect a fainter redshifted counterpart to a previously known blueshifted CO outflow. While some of DO Tau's complex structures could be attributed to a recent disk-disk encounter, they might be explained alternatively by interactions with remnant material from the star formation process. These panchromatic observations of DO Tau highlight the need to contextualize the evolution of Class II disks by examining processes occurring over a wide range of size scales., Comment: 42 pages, 20 figures, accepted by ApJ, reduced data available at https://zenodo.org/record/6408903 (typos from v1 fixed)

The size of a disk encodes important information about its evolution. Combining new Submillimeter Array (SMA) observations with archival Atacama Large Millimeter Array (ALMA) data, we analyze mm continuum and CO emission line sizes for a sample of 44 protoplanetary disks around stars with masses of 0.15--2\,$M_{\odot}$ in several nearby star-forming regions. Sizes measured from $^{12}$CO line emission span from 50 to 1000\,au. This range could be explained by viscous evolution models with different $\alpha$ values (mostly of $10^{-4}-10^{-3}$) and/or a spread of initial conditions. The CO sizes for most disks are also consistent with MHD wind models that directly remove disk angular momentum, but very large initial disk sizes would be required to account for the very extended CO disks in the sample. As no CO size evolution is observed across stellar ages of 0.5--20\,Myr in this sample, determining the dominant mechanism of disk evolution will require a more complete sample for both younger and more evolved systems. We find that the CO emission is universally more extended than the continuum emission by an average factor of $2.9\pm1.2$. The ratio of the CO to continuum sizes does not show any trend with stellar mass, mm continuum luminosity, or the properties of substructures. The GO Tau disk has the most extended CO emission in this sample, with an extreme CO to continuum size ratio of 7.6. Seven additional disks in the sample show high size ratios ($\gtrsim4$) that we interpret as clear signs of substantial radial drift., Comment: Accepted for publication in ApJ

Models of terrestrial planet formation predict that the final stages of planetary assembly, lasting tens of millions of years beyond the dispersal of young protoplanetary disks, are dominated by planetary collisions. It is through these giant impacts that planets like the young Earth grow to their final mass and achieve long-term stable orbital configurations. A key prediction is that these impacts produce debris. To date, the most compelling observational evidence for post-impact debris comes from the planetary system around the nearby 23 Myr-old A star HD 172555. This system shows large amounts of fine dust with an unusually steep size distribution and atypical dust composition, previously attributed to either a hypervelocity impact or a massive asteroid belt. Here, we report the spectrally resolved detection of a CO gas ring co-orbiting with dusty debris between ~6-9 au - a region analogous to the outer terrestrial planet region of our Solar System. Taken together, the dust and CO detections favor a giant impact between large, volatile-rich bodies. This suggests that planetary-scale collisions, analogous to the Moon-forming impact, can release large amounts of gas as well as debris, and that this gas is observable, providing a window into the composition of young planets., Comment: 21 pages (double spaced, including references and figures), 3 figures, 1 table, published in Nature 20/10/2021, published version available online through SharedIt initiative at https://rdcu.be/cAlEy

The disk around HD 169142 has been suggested to host multiple embedded planets due to the range of structures observed in the dust distributions. We analyze archival ALMA observations of $^{12} \mathrm{CO \ (2-1)}$, $^{13} \mathrm{CO \ (2-1)}$, and $\mathrm{C}^{18} \mathrm{O \ (2-1)}$ to search for large-scale kinematic structures associated with other embedded planets in the outer disk. At 125 au, we identify a coherent flow from the disk surface to the midplane, traced by all three CO isotopologues, and interpret it as a meridional flow, potentially driven by an embedded planet. We use changes in the rotation speed of the gas to characterize the physical structure across this region, finding that at 125 au the CO emission traces regions of increased gas pressure, despite being at a surface density minimum. Developing a simple analytical model, we demonstrate that the physical structure of the gap can have non-trivial responses to changes in the surface density, consistent both with previous thermo-chemical models, and the conditions inferred observationally. Applying this technique to a range of sources will allow us to directly confront theoretical models of gap-opening in protoplanetary disks., Comment: 23 pages, 17 figures, accepted for publication in ApJL

We report the first detection of the molecule cyanomethyl, CH$_2$CN, in a protoplanetary disk. Until now, CH$_2$CN had only been observed at earlier evolutionary stages, in the giant molecular clouds TMC-1 and Sgr 2, and the prestellar core L1544. We detect six transitions of ortho-CH$_2$CN towards the disk around nearby T Tauri star TW Hya. An excitation analysis reveals that the disk-averaged column density, $N$, for ortho-CH$_2$CN is $(6.3\pm 0.5)\times10^{12}$ cm$^{-2}$, which is rescaled to reflect a 3:1 ortho-para ratio, resulting in a total column density, $N_{\rm tot}$, of $(8.4\pm 0.7)\times10^{12}$ cm$^{-2}$. We calculate a disk-average rotational temperature, $T_{\rm{rot}}$ = $40 \pm 5$ K, while a radially resolved analysis shows that $T_{\rm{rot}}$ remains relatively constant across the radius of the disk. This high rotation temperature suggests that in a static disk and if vertical mixing can be neglected,CH$_2$CN is largely formed through gas-phase reactions in the upper layers of the disk, rather than solid-state reactions on the surface of grains in the disk midplane. The integrated intensity radial profiles show a ring structure consistent with molecules such as CN and DCN. We note that this is also consistent with previous lower-resolution observations of centrally peaked CH$_3$CN emission towards the TW Hya disks, since the observed emission gap disappears when convolving our observations with a larger beam size. We obtain a CH$_2$CN/CH$_3$CN ratio ranging between 4 and 10. This high CH$_2$CN/CH$_3$CN is reproduced in a representative chemical model of the TW Hya disk that employs standard static disk chemistry model assumptions, i.e. without any additional tuning., Comment: 11 pages, 5 figures

Deuterium fractionation is dependent on various physical and chemical parameters. Thus, the formation location and thermal history of material in the solar system is often studied by measuring its D/H ratio. This requires knowledge about the deuteration processes operating during the planet formation era. We aim to study these processes by radially resolving the DCN/HCN (at 0.3" resolution) and N$_2$D$^+$/N$_2$H$^+$ (0.3 to 0.9") column density ratios toward the five protoplanetary disks observed by the Molecules with ALMA at Planet-forming scales (MAPS) Large Program. DCN is detected in all five sources, with one newly reported detection. N$_2$D$^+$ is detected in four sources, two of which are newly reported detections. We derive column density profiles that allow us to study the spatial variation of the DCN/HCN and N$_2$D$^+$/N$_2$H$^+$ ratios at high resolution. DCN/HCN varies considerably for different parts of the disks, ranging from $10^{-3}$ to $10^{-1}$. In particular, the inner disk regions generally show significantly lower HCN deuteration compared with the outer disk. In addition, our analysis confirms that two deuterium fractionation channels are active, which can alter the D/H ratio within the pool of organic molecules. N$_2$D$^+$ is found in the cold outer regions beyond $\sim$50 au, with N$_2$D$^+$/N$_2$H$^+$ ranging between $10^{-2}$ and 1 across the disk sample. This is consistent with the theoretical expectation that N$_2$H$^+$ deuteration proceeds via the low-temperature channel only. This paper is part of the MAPS special issue of the Astrophysical Journal Supplement., Comment: Accepted for publication in the Astrophysical Journal Supplement. 55 pages, 30 figures. Replacement of earlier version with updated references

Constraining dust properties of planet-forming disks via high angular resolution observations is fundamental to understanding how solids are trapped in substructures and how dust growth may be favored or accelerated therein. We use ALMA dust continuum observations of the Molecules with ALMA at Planet-forming Scales (MAPS) disks and explore a large parameter space to constrain the radial distribution of solid mass and maximum grain size in each disk, including or excluding dust scattering. In the nonscattering model, the dust surface density and maximum grain size profiles decrease from the inner disks to the outer disks, with local maxima at the bright ring locations, as expected from dust trapping models. The inferred maximum grain sizes from the inner to outer disks decrease from ~1 cm to 1 mm. For IM Lup, HD 163296, and MWC 480 in the scattering model, two solutions are compatible with their observed inner disk emission: one solution corresponding to a maximum grain size of a few millimeters (similar to the nonscattering model), and the other corresponding to a few hundred micrometer sizes. Based on the estimated Toomre parameter, only IM Lup -- which shows a prominent spiral morphology in millimeter dust -- is found to be gravitationally unstable. The estimated maximum Stokes number in all the disks lies between 0.01 and 0.3, and the estimated turbulence parameters in the rings of AS 209 and HD 163296 are close to the threshold where dust growth is limited by turbulent fragmentation. This paper is part of the MAPS special issue of the Astrophysical Journal Supplement.

We observed HCO$^+$ $J=1-0$ and H$^{13}$CO$^+$ $J=1-0$ emission towards the five protoplanetary disks around IM Lup, GM Aur, AS 209, HD 163296, and MWC 480 as part of the MAPS project. HCO$^+$ is detected and mapped at 0.3\arcsec\,resolution in all five disks, while H$^{13}$CO$^+$ is detected (SNR$>6 \sigma$) towards GM Aur and HD 163296 and tentatively detected (SNR$>3 \sigma$) towards the other disks by a matched filter analysis. Inside a radius of $R\sim 100$ au, the HCO$^+$ column density is flat or shows a central dip. At outer radii ($\gtrsim 100$ au), the HCO$^+$ column density decreases outwards, while the column density ratio of HCO$^+$/CO is mostly in the range of $\sim 10^{-5}-10^{-4}$. We derived the HCO$^+$ abundance in the warm CO-rich layer, where HCO$^+$ is expected to be the dominant molecular ion. At $R\gtrsim 100$ au, the HCO$^+$ abundance is $\sim 3 \times 10^{-11} - 3\times 10^{-10}$, which is consistent with a template disk model with X-ray ionization. At the smaller radii, the abundance decreases inwards, which indicates that the ionization degree is lower in denser gas, especially inside the CO snow line, where the CO-rich layer is in the midplane. Comparison of template disk models with the column densities of HCO$^+$, N$_2$H$^+$, and N$_2$D$^+$ indicates that the midplane ionization rate is $\gtrsim 10^{-18}$ s$^{-1}$ for the disks around IM Lup, AS 209, and HD 163296. We also find hints of an increased HCO$^+$ abundance around the location of dust continuum gaps in AS 209, HD 163296, and MWC 480. This paper is part of the MAPS special issue of the Astrophysical Journal Supplement., Comment: accepted to ApJS, 33 pages, 20 figures