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1. Propargylimine in the laboratory and in space: Millimetre-wave spectroscopy and its first detection in the ISM

Author

Sergio Martín, Jesús Martín-Pintado, Jean-Claude Guillemin, Victor M. Rivilla, Barbara M. Giuliano, Luca Bizzocchi, Shaoshan Zeng, Andrea Pietropolli-Charmet, Paola Caselli, D. Prudenzano, M. A. Requena-Torres, Fernando Rico-Villas, Izaskun Jiménez-Serra, Bizzocchi L., Prudenzano D., Rivilla V.M., Pietropolli-Charmet A., Giuliano B.M., Caselli P., Martin-Pintado J., Jimenez-Serra I., Martin S., Requena-Torres M.A., Rico-Villas F., Zeng S., Guillemin J.-C., Max-Planck-Institut für Extraterrestrische Physik (MPE), Istituto Nazionale di Astrofisica (INAF), University of Ca’ Foscari [Venice, Italy], Spanish National Research Council (CSIC), European Southern Observatory (ESO), Joint ALMA Observatory (JAO), European Southern Observatory (ESO)-National Radio Astronomy Observatory (NRAO), Johns Hopkins University (JHU), Towson University [Towson, MD, United States], University of Maryland System, RIKEN - Institute of Physical and Chemical Research [Japon] (RIKEN), Institut des Sciences Chimiques de Rennes (ISCR), Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université de Rennes 1 (UR1), Université de Rennes (UNIV-RENNES)-Université de Rennes (UNIV-RENNES)-Ecole Nationale Supérieure de Chimie de Rennes (ENSCR)-Institut National des Sciences Appliquées - Rennes (INSA Rennes), Institut National des Sciences Appliquées (INSA)-Université de Rennes (UNIV-RENNES)-Institut National des Sciences Appliquées (INSA), University Ca Foscari Venezia, CINECACINECA, Italy [HP10C2QE6F], European Union European Union (EU) [664931], Spanish FEDER [ESP2017-86582-C4-1-R], State Research Agency (AEI) Unidad de Excelencia Maria de Maeztu-Centro de Astrobiologia (INTA-CSIC) [MDM-2017-0737], program Physique et Chimie du Milieu Interstellaire (INSU-CNRS), Centre National d'Etudes Spatiales (CNES) Centre National D'etudes Spatiales, PHC Procope (CAMPUS France) [42516WC], DAADDeutscher Akademischer Austausch Dienst (DAAD) [57445281], RIKEN, European Project: 664931,H2020,H2020-MSCA-COFUND-2014,AstroFIt2(2015), Unidad de Excelencia Científica María de Maeztu Centro de Astrobiología del Instituto Nacional de Técnica Aeroespacial y CSIC, MDM-2017-0737, Rico Villas, F. [0000-0002-5351-3497], Centre National D'Etudes Spatiales (CNES), European Research Council (ERC), Agencia Estatal de Investigación (AEI), Université de Rennes (UR)-Institut National des Sciences Appliquées - Rennes (INSA Rennes), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Ecole Nationale Supérieure de Chimie de Rennes (ENSCR)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), CINECA, European Commission (EU), Spanish FEDER, PHC Procope (CAMPUS France), Deutscher Akademischer Austauschdienst (DAAD), and Unidad de Excelencia Científica María de Maeztu Centro de Astrobiología del Instituto Nacional de Técnica Aeroespacial y CSIC

Subjects
Methods: laboratory: molecular, laboratory: molecular [Methods], ISM: clouds, ISM: molecules, Methods: observational, Molecular data, Techniques: spectroscopic, FOS: Physical sciences, Context (language use), Astrophysics, ISM: molecule, 01 natural sciences, Spectral line, spectroscopic [Techniques], Ab initio quantum chemistry methods, ISM: cloud, Distortion, 0103 physical sciences, [CHIM]Chemical Sciences, observational [Methods], Spectroscopy, 010303 astronomy & astrophysics, molecules [ISM], Settore CHIM/02 - Chimica Fisica, Physics, 010304 chemical physics, Spectrometer, Molecular cloud, Astronomy and Astrophysics, Astrophysics - Astrophysics of Galaxies, Interstellar medium, 13. Climate action, Space and Planetary Science, Astrophysics of Galaxies (astro-ph.GA), Atomic physics, clouds [ISM]
Abstract

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., With funding from the Spanish government through the "María de Maeztu Unit of Excellence" accreditation (MDM-2017-0737)

Published
2020
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2. A Branch-Price-and-Cut Procedure for the Discrete Ordered Median Problem

Author

Martine Labbé, Diego Ponce, Justo Puerto, Samuel Deleplanque, Évaluation des Systèmes de Transports Automatisés et de leur Sécurité (IFSTTAR/COSYS/ESTAS), Institut Français des Sciences et Technologies des Transports, de l'Aménagement et des Réseaux (IFSTTAR)-PRES Université Lille Nord de France, Integrated Optimization with Complex Structure (INOCS), Inria Lille - Nord Europe, Institut National de Recherche en Informatique et en Automatique (Inria)-Institut National de Recherche en Informatique et en Automatique (Inria)-Université libre de Bruxelles (ULB)-Centre de Recherche en Informatique, Signal et Automatique de Lille - UMR 9189 (CRIStAL), Centrale Lille-Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Centrale Lille-Université de Lille-Centre National de la Recherche Scientifique (CNRS), Université libre de Bruxelles (ULB), Centre Interuniversitaire de Recherche sur les Réseaux d'Entreprise, la Logistique et le Transport (CIRRELT), École Polytechnique de Montréal (EPM)-Université de Montréal (UdeM)-HEC Montréal (HEC Montréal), Departamento de Matemática Aplicada I (IMUS), IMUS, This research was supported by Spanish/FEDER grants number MTM2016-74983-C02-01. The research of the second and third authors was supported by the Interuniversity Attraction Poles Programme initiated by the Belgian Science Policy Office. We thank the SCIP team (Gamrath et al. (2016)) for the helpful advices., IFFSTAR, Universidad de Sevilla. Departamento de Estadística e Investigación Operativa, and Universidad de Sevilla. FQM331: Metodos y Modelos de la Estadistica y la Investigacion Operativa

Subjects
050210 logistics & transportation, 021103 operations research, Informatique générale, Branch and price, 05 social sciences, 0211 other engineering and technologies, General Engineering, Informatique appliquée logiciel, 02 engineering and technology, [INFO.INFO-RO]Computer Science [cs]/Operations Research [cs.RO], Location theory, Set (abstract data type), location theory, branch and price, Variable (computer science), Discrete optimization, 0502 economics and business, Exponential number, ordered median problems, Applied mathematics, Théorie de la décision et des choix collectifs, discrete optimization, Mathematics
Abstract

The discrete ordered median problem (DOMP) is formulated as a set-partitioning problem using an exponential number of variables. Each variable corresponds to a set of demand points allocated to the same facility with the information of the sorting position of their corresponding costs. We develop a column generation approach to solve the continuous relaxation of this model. Then we apply a branch-price-and-cut algorithm to solve small- to large-sized instances of DOMP in competitive computational time., SCOPUS: ar.j, info:eu-repo/semantics/published

Published
2021
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3. The Chemical Structure of Young High-mass Star-forming Clumps. II. Parsec-scale CO Depletion and Deuterium Fraction of HCO +

Author

Hauyu Baobab Liu, Izaskun Jiménez-Serra, Guangxing Li, Qizhou Zhang, Zhi-Yu Zhang, Ken'ichi Tatematsu, P. Caselli, Di Li, Sheng-Yuan Liu, Henrik Beuther, Taylor Hogge, Xing Lu, Tie Liu, Patricio Sanhueza, J. Yuan, Olli Sipilä, Yu Wang, Siyi Feng, Y. C. Lin, Sarolta Zahorecz, Fujun Du, K. Wang, Unidad de Excelencia Científica María de Maeztu Centro de Astrobiología del Instituto Nacional de Técnica Aeroespacial y CSIC, MDM-2017-0737, Feng, S. [0000-0002-4707-8409], Li, D. [0000-0003-3010-7661], Caselli, P. [0000-0003-1481-7911], Du, F. [0000-0002-7489-0179], Lin, Y. [0000-0001-9299-5479, Sipilä, O. [0000-0002-9148-1625], Beuther, H. [0000-0002-1700-090X], Sanhueza, P. [0000-0002-7125-7685], Tatematsu, K. [0000-0002-8149-8546], Liu, S. Y. [0000-0003-4603-7119], Zhang, Q. [0000-0003-2384-6589], Wang, Y. [0000-0003-2226-4384], Hogge, T. [0000-0002-7211-7078], Jiménez Serra, I. [0000-0003-4493-8714], Lu, X. [0000-0003-2619-9305], Liu, T. [0000-0002-5286-2564], Wang, K. [0000-0002-7237-3856], Zhang, Z. Y. [0000-0002-7299-2876], Zahorecz, S. [0000-0001-6149-1278], Li, G. [0000-0003-3144-1952], Liu, H. B. [0000-0003-2300-2626], Yuan, J. [0000-0001-8060-3538], National Natural Science Foundation of China (NSFC), Max-Planck-Gesellschaft (MPG), European Research Council (ERC), Chinese Academy of Sciences (CAS), Agencia Estatal de Investigación (AEI), Japan Society for the Promotion of Science (JSPS), National Natural Science Foundation of China, 11988101 11873094 11973013 11721303, CAS International Partnership Program, 114A11KYSB20160008, Deutsche Forschungsgemeinschaft in the Collaborative Research Center 'The Milky Way System', SFB 881, One Hundred Person Project of the Chinese Academy of Sciences, 2017-089, Spanish FEDER, Ministry of Education Culture Sports, Japan Science and Technology, National Key Research and Development Program of China, 2017YFA0402702 2019YFA0405100, starting grant at the Kavli Institute for Astronomy and Astrophysics, 7101502016 Peking University, NAOJ ALMA Scientific Research grant, 2016-03B, and NAOJ Visiting Joint Research program, 1901-0403

Subjects
Astrochemistry, 010504 meteorology & atmospheric sciences, Chemical structure, FOS: Physical sciences, Fraction (chemistry), Astrophysics, Star (graph theory), 01 natural sciences, Parsec, Interstellar medium, Massive stars, 0103 physical sciences, 010303 astronomy & astrophysics, 0105 earth and related environmental sciences, Physics, Star formation, Astronomy and Astrophysics, Interstellar molecules, Astrophysics - Astrophysics of Galaxies, Deuterium, 13. Climate action, Space and Planetary Science, Astrophysics of Galaxies (astro-ph.GA)
Abstract

The physical and chemical properties of cold and dense molecular clouds are key to understanding how stars form. Using the IRAM 30 m and NRO 45 m telescopes, we carried out a Multiwavelength line-Imaging survey of the 70 $��$m dark and bright clOuds (MIAO). At a linear resolution of 0.1--0.5 pc, this work presents a detailed study of parsec-scale CO depletion and $\rm HCO^+$ deuterium (D-) fractionation toward four sources (G11.38+0.81, G15.22-0.43, G14.49-0.13, and G34.74-0.12) included in our full sample. In each source with $\rm T, accepted by ApJ

Published
2020
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4. Peakedness and Generalized Entropy for Continuous Density Functions

Author

Didier Dubois, Inés Couso, Universidad de Oviedo [Oviedo], Argumentation, Décision, Raisonnement, Incertitude et Apprentissage (IRIT-ADRIA), Institut de recherche en informatique de Toulouse (IRIT), Université Toulouse 1 Capitole (UT1), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Université Toulouse - Jean Jaurès (UT2J)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Université Toulouse 1 Capitole (UT1), Université Fédérale Toulouse Midi-Pyrénées, Queen's University [Belfast] (QUB), Spanish FEDER-MEC Grants TIN2007-67418-C03-03, TIN2008-06681-C06-04 and MTM2007-61193, Hümeilleier, Eyke, Kruse, Rudolf, and Hoffmann, Franck

Subjects
0209 industrial biotechnology, Principle of maximum entropy, Mode (statistics), 02 engineering and technology, [INFO.INFO-AI]Computer Science [cs]/Artificial Intelligence [cs.AI], Combinatorics, Differential entropy, 020901 industrial engineering & automation, Maximum entropy probability distribution, 0202 electrical engineering, electronic engineering, information engineering, Entropy (information theory), Probability distribution, 020201 artificial intelligence & image processing, Statistical physics, K-distribution, Probability measure, Mathematics
Abstract

Also part of the Lecture Notes in Artificial Intelligence book sub series (LNAI, volume 6178); International audience; The theory of ma jorisation between real vectors with equal sum of components, originated in the beginning of the XXth century, enables a partial ordering between discrete probability distributions to be defined. It corresponds to comparing, via fuzzy set inclusion, possibility distributions that are the most specific transforms of the original probability distributions. This partial ordering compares discrete probability distributions in terms of relative peakedness around their mode, and entropy is monotonic with respect to this partial ordering. In fact, all known variants of entropy share this monotonicity. In this paper, this question is studied in the case of unimodal continuous probability densities on the real line, for which a possibility transform around the mode exists. It corresponds to extracting the family of most precise prediction intervals. Comparing such prediction intervals for two densities yields a variant of relative peakedness in the sense of Birnbaum. We show that a generalized form of continuous entropy is monotonic with respect to this form of relative peakedness of densities.

Published
2010
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