Context. The increase in bandwidth and sensitivity of state-of-the-art radio observatories is providing a wealth of molecular data from nearby star-forming regions up to high-z galaxies. Analysing large data sets of spectral cubes requires efficient and user-friendly tools optimized for astronomers with a wide range of backgrounds. Aims. In this paper we present the detailed formalism at the core of the Spectral Line Identification and Modelling (SLIM) within the MAdrid Data CUBe Analysis (MADCUBA) package and their main data handling functionalities. These tools have been developed to visualize, analyze and model large spectroscopic data cubes. Methods. We present the highly interactive on-the-fly visualization and modelling tools of MADCUBA and SLIM, which includes an stand-alone spectroscopic database. The parameters stored therein are used to solve the full radiative transfer equation under Local Thermodynamic Equilibrium (LTE). SLIM provides tools to generate synthetic LTE model spectra based on input physical parameters of column density, excitation temperature, velocity, line width and source size. SLIM also provides an automatic fitting algorithm to obtain the physical parameters (with their associated errors) better fitting the observations. Synthetic spectra can be overlayed in the data cubes/spectra to easy the task of multi-molecular line identification and modelling. Results. We present the Java-based MADCUBA and its internal module SLIM packages which provide all the necessary tools for manipulation and analysis of spectroscopic data cubes. We describe in detail the spectroscopic fitting equations and make use of this tool to explore the breaking conditions and implicit errors of commonly used approximations in the literature. Conclusions. Easy-to-use tools like MADCUBA allow the users to derive the physical information from spectroscopic data without the need of resourcing to simple approximations. SLIM allows to use the full radiative transfer equation, and to interactively explore the space of physical parameters and associated uncertainties from observational data.

One of the proposed scenarios for the origin of life is the primordial RNA world, which considers that RNA molecules were likely responsible for the storage of genetic information and the catalysis of biochemical reactions in primitive cells, before the advent of proteins and DNA. In the last decade, experiments in the field of prebiotic chemistry have shown that RNA nucleotides can be synthesized from relatively simple molecular precursors, most of which have been found in space. An important exception is hydroxylamine, NH2OH, which, despite several observational attempts, it has not been detected in space yet. Here we present the first detection of NH2OH in the interstellar medium toward the quiescent molecular cloud G+0.693-0.027 located in the Galactic Center. We have targeted the three groups of transitions from the J = 2−1, 3−2, and 4−3 rotational lines, detecting five transitions that are unblended or only slightly blended. The derived molecular abundance of NH2OH is (2.1 ± 0.9) × 10−10. From the comparison of the derived abundance of NH2OH and chemically related species, with those predicted by chemical models and measured in laboratory experiments, we favor the formation of NH2OH in the interstellar medium via hydrogenation of NO on dust grain surfaces, with possibly a contribution of ice-mantle NH3 oxidation processes. Further laboratory studies and quantum chemical calculations are needed to completely rule out the formation of NH2OH in the gas phase.

Cell membranes are a key element of life because they keep the genetic material and metabolic machinery together. All present cell membranes are made of phospholipids, yet the nature of the first membranes and the origin of phospholipids are still under debate. We report here the presence of ethanolamine in space, NH2CH2CH2OH, which forms the hydrophilic head of the simplest and second-most-abundant phospholipid in membranes. The molecular column density of ethanolamine in interstellar space is N = (1.51± 0.07)× 1013 cm−2, implying a molecular abundance with respect to H2 of (0.9−1.4) × 10−10. Previous studies reported its presence in meteoritic material, but they suggested that it is synthesized in the meteorite itself by decomposition of amino acids. However, we find that the proportion of the molecule with respect to water in the interstellar medium is similar to the one found in the meteorite (10−6). These results indicate that ethanolamine forms efficiently in space and, if delivered onto early Earth, could have contributed to the assembling and early evolution of primitive membranes.

The chemical compounds carrying the thiol group (-SH) have been considered essential in recent prebiotic studies regarding the polymerization of amino acids. We have searched for this kind of compound toward the Galactic Center quiescent cloud G+0.693–0.027. We report the first detection in the interstellar space of the trans-isomer of monothioformic acid (t-HC(O)SH) with an abundance of ∼1 × 10−10. Additionally, we provide a solid confirmation of the gauche isomer of ethyl mercaptan (g-C2H5SH) with an abundance of ∼3 × 10−10, and we also detect methyl mercaptan (CH3SH) with an abundance of ∼5 × 10−9. Abundance ratios were calculated for the three SH-bearing species and their OH analogs, revealing similar trends between alcohols and thiols with increasing complexity. Possible chemical routes for the interstellar synthesis of t-HC(O)SH, CH3SH, and C2H5SH are discussed, as well as the relevance of these compounds in the synthesis of prebiotic proteins in the primitive Earth.

Context. Small imines containing up to three carbon atoms are present in the interstellar medium (ISM). As alkynyl compounds are abundant in this medium, propargylimine (2-propyn-1-imine, HC ≡C−CH =NH) thus represents a promising candidate for a new interstellar detection. Aims. The goal of the present work is to perform a comprehensive laboratory investigation of the rotational spectrum of propargylimine in its ground vibrational state in order to obtain a highly precise set of rest frequencies and to search for it in space. Methods. The rotational spectra of E and Z geometrical isomers of propargylimine have been recorded in the laboratory in the 83–500 GHz frequency interval. The measurements have been performed using a source-modulation millimetre-wave spectrometer equipped with a pyrolysis system for the production of unstable species. High-level ab initio calculations were performed to assist the analysis and to obtain reliable estimates for an extended set of spectroscopic quantities. We searched for propargylimine at 3 mm and 2 mm in the spectral survey of the quiescent giant molecular cloud G+0.693-0.027 located in the central molecular zone, close to the Galactic centre. Results. About 1000 rotational transitions have been recorded for the E- and Z-propargylimine, in the laboratory. These new data have enabled the determination of a very accurate set of spectroscopic parameters including rotational, quartic, and sextic centrifugal distortion constants. The improved spectral data allowed us to perform a successful search for this new imine in the G+0.693-0.027 molecular cloud. Eighteen lines of Z-propargylimine were detected at level >2.5σ, resulting in a column-density estimate of N = (0.24 ± 0.02) × 1014 cm−2. An upper limit was retrieved for the higher energy E isomer, which was not detected in the data. The fractional abundance (with respect to H2) derived for Z-propargylimine is 1.8 × 10−10. We discuss the possible formation routes by comparing the derived abundance with those measured in the source for possible chemical precursors.

Using 0.2 (∼ 3 pc) ALMA images of vibrationally excited HC 3 N emission (HC 3 N * ) we reveal the presence of 8 unresolved Super Hot Cores (SHCs) in the inner 160 pc of NGC 253. Our LTE and non-LTE modelling of the HC 3 N * emission indicate that SHCs have dust temperatures of 200 − 375 K, relatively high H 2 densities of 1 − 6 × 10 6 cm −3 and high IR luminosities of 0.1−1×10 8 L . As expected from their short lived phase (∼ 10 4 yr), all SHCs are associated with young Super Star Clusters (SSCs). We use the ratio of luminosities form the SHCs (protostar phase) and from the free-free emission (ZAMS star phase), to establish the evolutionary stage of the SSCs. The youngest SSCs, with the larges ratios, have ages of a few 10 4 yr (proto-SSCs) and the more evolved SSCs are likely between 10 5 and 10 6 yr (ZAMS-SSCs). The different evolutionary stages of the SSCs are also supported by the radiative feedback from the UV radiation as traced by the HNCO/CS ratio, with this ratio being systematically higher in the young proto-SSCs than in the older ZAMS-SSCs. We also estimate the SFR and the SFE of the SSCs. The trend found in the estimated SFE (∼ 40% for proto-SSCs and > 85% for ZAMS-SSCs) and in the gas mass reservoir available for star formation, one order of magnitude higher for proto-SSCs, suggests that star formation is still going on in proto-SSCs. We also find that the most evolved SSCs are located, in projection, closer to the center of the galaxy than the younger proto-SSCs, indicating an inside-out SSC formation scenario.

We present the first detection of (Z)-1,2-ethenediol, (CHOH)2, the enol form of glycolaldehyde, in the interstellar medium toward the G+0.693−0.027 molecular cloud located in the Galactic Center. We have derived a column density of (1.8 ± 0.1) × 1013 cm−2, which translates into a molecular abundance with respect to molecular hydrogen of 1.3 × 10−10. The abundance ratio between glycolaldehyde and (Z)-1,2-ethenediol is ∼5.2. We discuss several viable formation routes through chemical reactions from precursors such as HCO, H2CO, CHOH, or CH2CHOH. We also propose that this species might be an important precursor in the formation of glyceraldehyde (HOCH2CHOHCHO) in the interstellar medium through combination with the hydroxymethylene (CHOH) radical.

Amines, particularly primary amines (R-NH2), are closely related to the primordial synthesis of amino acids since they share the same structural backbone. However, only a limited number of amines has been identified in the interstellar medium, which prevents us from studying their chemistry as well as their relation to prebiotic species that could lead to the emergence of life. In this Letter, we report the first interstellar detection of vinylamine (C2H3NH2) and tentative detection of ethylamine (C2H5NH2) toward the Galactic center cloud G+0.693-0.027. The derived abundance with respect to H2 is (3.3 ± 0.4) × 10−10 and (1.9 ± 0.5) × 10−10, respectively. The inferred abundance ratios of C2H3NH2 and C2H5NH2 with respect to methylamine (CH3NH2) are ∼0.02 and ∼0.008, respectively. The derived abundance of C2H3NH2, C2H5NH2, and several other NH2-bearing species are compared to those obtained toward high-mass and low-mass star-forming regions. Based on recent chemical and laboratory studies, possible chemical routes for the interstellar synthesis of C2H3NH2 and C2H5NH2 are discussed.