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104 results on '"Domaracka, A."'

1. Swift heavy ion irradiation of thymine at cryogenic temperature

Author: C. Mejía, G.S. Vignoli Muniz, M. Bender, D. Severin, C. Trautmann, B. Augé, A.N. Agnihotri, P. Boduch, A. Domaracka, and H. Rothard
Subjects: Nuclear and High Energy Physics, Instrumentation
Published: 2023

2. Controlling the diversity of ion-induced fragmentation pathways by N-methylation of amino acids

Author: Darío Barreiro-Lage, Chiara Nicolafrancesco, Jaroslav Kočišek, Alberto Luna, Janina Kopyra, Manuel Alcamí, Bernd A. Huber, Fernando Martín, Alicja Domaracka, Patrick Rousseau, Sergio Díaz-Tendero, Departamento de Química, Módulo 13, Universidad Autónoma de Madrid, 28049 Madrid (Spain), Atomes, Molécules et Agrégats (AMA), Centre de recherche sur les Ions, les MAtériaux et la Photonique (CIMAP - UMR 6252), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Matériaux Avancés (IRMA), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Université de Caen Normandie (UNICAEN), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS), Synchrotron SOLEIL (SSOLEIL), Centre National de la Recherche Scientifique (CNRS), J. Heyrovský Institute of Physical Chemistry of the ASCR, Czech Academy of Sciences [Prague] (CAS), Centro de Computación Científica (CCC-UAM), Universidad Autónoma de Madrid (UAM), Siedlce University of Natural Sciences and Humanities, Departamento de Química, Modulo 13, Universidad Autónoma de Madrid, Instituto IMDEA Nanociencia [Madrid], Instituto Imdea Nanociencia, Institute for Advanced Research in Chemical Science (IAdChem) (IAdChem), and Departamento de Física Teórica de la Materia Condensada and Condensed Matter Physics Center (IFIMAC)
Subjects: [PHYS.PHYS.PHYS-ATM-PH]Physics [physics]/Physics [physics]/Atomic and Molecular Clusters [physics.atm-clus], General Physics and Astronomy, Physical and Theoretical Chemistry
Abstract: International audience; We present a combined experimental and theoretical study of the fragmentation of singly and doubly N-methylated glycine (sarcosine and N,N-dimethyl glycine, respectively) induced by low-energy (keV) O6+ ions. Multicoincidence mass spectrometry techniques and quantum chemistry simulations (ab initio molecular dynamics and density functional theory) allow us to characterise different fragmentation pathways as well as the associated mechanisms. We focus on the fragmentation of doubly ionised species, for which coincidence measurements provide unambiguous information on the origin of the various charged fragments. We have found that single N-methylation leads to a larger variety of fragmentation channels than in no methylation of glycine, while double N-methylation effectively closes many of these fragmentation channels, including some of those appearing in pristine glycine. Importantly, the closure of fragmentation channels in the latter case does not imply a protective effect by the methyl group.
Published: 2022

3. On the synthesis of N–O bearing species in astrophysical ices – an infrared spectroscopic study using heavy-ion irradiation of solid N2:CO samples

Author: A Bergantini, A L F de Barros, A Domaracka, H Rothard, P Boduch, E F da Silveira, Atomes, Molécules et Agrégats (AMA), Centre de recherche sur les Ions, les MAtériaux et la Photonique (CIMAP - UMR 6252), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Matériaux Avancés (IRMA), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Université de Caen Normandie (UNICAEN), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS), and Matériaux, Défauts et IRradiations (MADIR)
Subjects: [PHYS]Physics [physics], astrochemistry molecular data techniques, molecular interplanetary medium, Space and Planetary Science, Astronomy and Astrophysics, laboratory, spectroscopicmethods
Abstract: The interstellar chemistry of nitrogen is considerably less understood than the chemistry of other common elements, such as carbon and oxygen. Even though a relatively large number of species containing nitrogen atoms have already been detected in the interstellar medium, only six of them bear a nitrogen–oxygen (N–O) bond. Some astrophysical and primeval Earth models suggest that N–O species, such as hydroxylamine (NH2OH), are potential precursors of prebiotic amino acids, and even peptides. In this work, we have analyzed an apolar ice mixture of N2:CO of astrophysical interest to investigate possible formation mechanisms of N–O bearing molecules due to processing of the sample by 64Ni24+ 538 MeV ions (8.4 MeV/u) at 14 K. The results show the formation of simple nitrogen oxides ($\rm {N_{1 - 2}}{O_y})$, but no CN–O species of any kind. We have also determined the formation cross-sections of some of the products, as well as the destruction cross-sections of precursors and products. The results presented here are discussed in light of our previous work on the processing of a NH3:CO ice mixture, which have found no N–O bearing molecules at all.
Published: 2021

4. Cosmic-ray sputtering of interstellar ices in the electronic regime

Author: E. Dartois, M. Chabot, C. A. P. da Costa, T. Nguyen, J. Rojas, J. Duprat, B. Augé, A. Domaracka, H. Rothard, and P. Boduch
Subjects: Space and Planetary Science, Astronomy and Astrophysics
Abstract: Aims. With this article, we aim to provide the sputtering yields for molecular species of potential astrophysical interest and in the electronic regime of interaction characteristic of cosmic rays. We specifically target molecules that are constitutive of interstellar ice mantles. Methods. We used a compendium of existing data on electronic sputtering to calculate the prefactors leading to the generalisation of the stopping-power-dependent sputtering yield for many species condensing at low temperature. In addition, we present new experimental results to constrain the yield for solid CH4, C6, and CH3CN. Results. Electronic sputtering is constrained using literature data for H2, HD, D2, Ne, N2, CO, Ar, O2, Kr, Xe, CO2, SO2, NH3, S, H2O, D2O, CH3OH, Leucine, C20H12, C24H12, and C60. A first-order relation with the sublimation enthalpy is derived, which allows us to predict the sputtering yield within an order of magnitude for most species. The fluctuations around the mean are partly assignable to the differences in resilience towards radiolysis for individual species, and partly to the micro-physics details of the energy transfer to the lattice.
Published: 2023

5. Evaluation of Eco-Innovation and Green Economy in EU Countries

Author: Andrea Senova, Dominik Kowal, and Lucia Domaracka
Subjects: eco-innovation, green economy, EU countries, data analysis, eco-innovation index, Control and Optimization, Renewable Energy, Sustainability and the Environment, Energy Engineering and Power Technology, Building and Construction, Electrical and Electronic Engineering, Engineering (miscellaneous), Energy (miscellaneous)
Abstract: A businesses with a green label is associated with resources that are sustainable. This business is linked to the green economy, which can be described as a form of economy that is responsible in relation to the environment and economic growth, and thus complementary. In this type of economy, viable products are created, but also solutions and practices that take the environment into account. It is well known that eco-innovation activities are closely linked to the development of an eco-business. The research sample consisted of 10 countries, namely the Slovak Republic, the Czech Republic, Poland, Hungary, Austria, Germany, France, Italy, Sweden, and Finland, which were selected by purposive sampling. In this article, we look at eco innovations in selected countries, specifically ranking them, where we have divided countries into different levels, from countries that are at the super eco-innovation level, to countries that are in the middle zone, to countries that are significantly lagging in this trend. To classify countries into each level, we looked at the following variables: eco-innovation inputs, eco-innovation activities, environmental outcomes, socio-economic outcomes, and the eco-innovation index itself. Taking these sub-results into account, we determined where countries are, in other words, which level they have reached. We found that there are significant differences between countries. As we conclude, there are several reasons for this, but one of them is the lack of communication, coordination, and synergy between institutions, government, and SMEs, which are the drivers of eco-innovation. The supporting quantitative data collection method was data collection and structured observation, which is more precise and therefore provides more detailed information about the reality under study. For the purpose of this thesis, data were obtained from the Statistical Office of the European Union, that is, Eurostat, which is responsible for publishing pan-European statistics and indicators that allowed us to compare countries. In the survey, we compared the five most recent years for which Eurostat data were available, namely 2017, 2018, 2019, 2020, and 2021. The overall score of a European Union member state is calculated as the unweighted average of 16 sub-indicators. It shows how well each Member State performs in terms of eco-innovation compared to the European Union average of 100.
Published: 2023

6. Controlling the diversity of ion-induced fragmentation pathways by

Author: Darío, Barreiro-Lage, Chiara, Nicolafrancesco, Jaroslav, Kočišek, Alberto, Luna, Janina, Kopyra, Manuel, Alcamí, Bernd A, Huber, Fernando, Martín, Alicja, Domaracka, Patrick, Rousseau, and Sergio, Díaz-Tendero
Subjects: Ions, Glycine, Sarcosine, Molecular Dynamics Simulation, Methylation, Density Functional Theory
Abstract: We present a combined experimental and theoretical study of the fragmentation of singly and doubly
Published: 2021

7. Water-biomolecule clusters studied by photoemission spectroscopy and multilevel atomistic simulations: hydration or solvation?

Author: Giuseppe, Mattioli, Lorenzo, Avaldi, Paola, Bolognesi, John D, Bozek, Mattea C, Castrovilli, Jacopo, Chiarinelli, Alicja, Domaracka, Suvasthika, Indrajith, Sylvain, Maclot, Aleksandar R, Milosavljević, Chiara, Nicolafrancesco, and Patrick, Rousseau
Subjects: Models, Molecular, Spectrometry, Fluorescence, Photoelectron Spectroscopy, Solvents, Thermodynamics, Water, Hydrogen Bonding, Uracil, Hydrophobic and Hydrophilic Interactions, Density Functional Theory, Nanostructures
Abstract: The properties of mixed water-uracil nanoaggregates have been probed by core electron-photoemission measurements to investigate supramolecular assembly in the gas phase driven by weak interactions. The interpretation of the measurements has been assisted by multilevel atomistic simulations, based on semi-empirical tight-binding and DFT-based methods. Our protocol established a positive-feedback loop between experimental and computational techniques, which has enabled a sound and detailed atomistic description of such complex heterogeneous molecular aggregates. Among biomolecules, uracil offers interesting and generalized skeletal features; its structure encompasses an alternation of hydrophilic H-bond donor and acceptor sites and hydrophobic moieties, typical in biomolecular systems, that induces a supramolecular core-shell-like organization of the mixed clusters with a water core and an uracil shell. This structure is far from typical models of both solid-state hydration, with water molecules in defined positions, or liquid solvation, where disconnected uracil molecules are completely surrounded by water.
Published: 2021

8. Overview of Taken Initiatives and Adaptation Measures in Polish Mining Companies during a Pandemic

Author: Barbara Kowal, Robert Ranosz, Łukasz Herezy, Wojciech Cichy, Olga Świniarska, and Lucia Domaracka
Subjects: Control and Optimization, Renewable Energy, Sustainability and the Environment, Energy Engineering and Power Technology, Building and Construction, Electrical and Electronic Engineering, Engineering (miscellaneous), COVID-19, pandemic, mining sector, initiatives and adaptation measures, economic situation, Energy (miscellaneous)
Abstract: The emergence of the new SARS-CoV-2 virus two years ago strongly affected economic life and labour markets around the world. The pandemic affected many sectors, including the mining industry. Coal companies have had to cope with the challenges and adapt their operations to the situation. Due to the peculiarities of the mines, not only to the hazardous factors and conditions prevailing underground but also to the large number of employees who usually move in groups in the plants, the emergence of a new threat caused by a biological agent posed a real challenge for them. The aim of this paper was to present the initiatives and measures taken in the coal mining sector to ensure the safety of workers during a pandemic. The guidelines for the operation of mining plants during the SARS-CoV-2 epidemic were analysed, as well as the identification of locations in mining plants particularly vulnerable to infection with the virus. We also presented how the pandemic period affected the operations of a selected coal company in Poland from an economic point of view.
Published: 2022

9. A general approach to study molecular fragmentation and energy redistribution after an ionizing event

Author: Paola Bolognesi, Sergio Díaz-Tendero, Patrick Rousseau, Ewa Erdmann, Jacopo Chiarinelli, Suvasthika Indrajith, Bernd A. Huber, Marta Łabuda, Alicja Domaracka, Robert Richter, Manuel Alcamí, Néstor F. Aguirre, Lorenzo Avaldi, Gdańsk University of Technology (GUT), Universidad Autonoma de Madrid (UAM), Centre de recherche sur les Ions, les MAtériaux et la Photonique (CIMAP - UMR 6252), Centre National de la Recherche Scientifique (CNRS)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Caen Normandie (UNICAEN), Normandie Université (NU), Université de Caen Normandie (UNICAEN), Istituto di Struttura della Materia (CNR-ISM), Consiglio Nazionale delle Ricerche [Roma] (CNR), Centre National de la Recherche Scientifique (CNRS), Elettra Sincrotrone Trieste, Universidad Autónoma de Madrid (UAM), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Matériaux Avancés (IRMA), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS), and National Research Council of Italy | Consiglio Nazionale delle Ricerche (CNR)
Subjects: Physics, [PHYS.PHYS]Physics [physics]/Physics [physics], 010304 chemical physics, Internal energy, furan, education, General Physics and Astronomy, Photoionization, 010402 general chemistry, 7. Clean energy, 01 natural sciences, Molecular physics, Dissociation (chemistry), PEPICO, 0104 chemical sciences, Ion, M3C, Fragmentation (mass spectrometry), Ionization, 0103 physical sciences, Physics::Atomic and Molecular Clusters, Mass spectrum, Redistribution (chemistry), Physical and Theoretical Chemistry
Abstract: International audience; We propose to combine quantum chemical calculations, statistical mechanical methods, and photoionization and particle collision experiments to unravel the redistribution of internal energy of the furan cation and its dissociation pathways. This approach successfully reproduces the relative intensity of the different fragments as a function of the internal energy of the system in photoelectronphotoion coincidence experiments and the different mass spectra obtained when ions ranging from Ar + to Xe 25+ or electrons are used in collision experiments. It provides deep insights into the redistribution of the internal energy in the ionized molecule and its influence on the dissociation pathways and resulting charged fragments. The present pilot study demonstrates the efficiency of a statistical exchange of excitation energy among various degrees of freedom of the molecule and proves that the proposed approach is mature to be extended to more complex systems.
Published: 2021

10. A general approach to study molecular fragmentation and energy redistribution after an ionizing event

Author: Erdmann E., Aguirre N.F., Indrajith S., Chiarinelli J., Domaracka A., Rousseau P., Huber B.A., Bolognesi P., Richter R., Avaldi L., Díaz-Tendero S., Alcamí M., Łabuda M. and This article is based upon work from the COST Action CA18212 - Molecular Dynamics in the GAS phase (MD-GAS), supported by COST (European Cooperation in Science and Technology). We thank the Erasmus Plus Programme (M. ?.) and Gda?sk University of Technology (M. ?. and E. E.) for financial support. M. ?. thanks the Ambassade de France en Pologne for the French Government Scholarship for Researchers to visit the GANIL facility. We acknowledge the allocation of computer time at Academic Computer Centre in Gda?sk (CI TASK), Wroc?aw Centre for Networking and Supercomputing (WCSS) and Centro de Computaci?n Cient?fica at the Universidad Aut?noma de Madrid (CCC-UAM). The research was conducted in the framework of the International Associated Laboratory (LIA) ?Fragmentation DYNAmics of complex MOlecular systems? (DYNAMO) and of the International Program for Scientific Collaboration (PICS) ?BIomolecular Ions: from Fundamental to Applied scienCE? (BIFACE), both funded by the Centre National de la Recherche Scientifique (CNRS). This work was partially supported by the project CTQ2016-76061-P of the Spanish Ministerio de Econom?a y Competitividad (MINECO). Financial support from the MINECO through the ?Mar?a de Maeztu? Program for Units of Excellence in R&D (MDM-2014-0377) is also acknowledged.
Published: 2021

11. Timing of charge migration in betaine by impact of fast atomic ions

Author: Dariusz G. Piekarski, Fernando Martín, Bernd A. Huber, Sergio Díaz-Tendero, Jesús González-Vázquez, Alicja Domaracka, Janina Kopyra, Lamri Adoui, Manuel Alcamí, Patrick Rousseau, Centre de recherche sur les Ions, les MAtériaux et la Photonique (CIMAP - UMR 6252), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Matériaux Avancés (IRMA), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS), Normandie Université (NU), Atomes, Molécules et Agrégats (AMA), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Université de Caen Normandie (UNICAEN), Universidad Autónoma de Madrid (UAM), Siedlce University of Natural Sciences and Humanities, Centre National de la Recherche Scientifique (CNRS), UAM. Departamento de Química, Centre National de la Recherche Scientifique (CNRS)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Centre National de la Recherche Scientifique (CNRS)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), and Universidad Autonoma de Madrid (UAM)
Subjects: Materials science, Electron dynamics, Electron, 01 natural sciences, Electron Migration, Ion, Electron Dynamics, chemistry.chemical_compound, Betaine, Migration Time, 0103 physical sciences, Molecule, 010306 general physics, ComputingMilieux_MISCELLANEOUS, Atomic Ion, [PHYS]Physics [physics], Multidisciplinary, 010304 chemical physics, Charge (physics), Química, Ion bombardment, Negative Charge, Ions Bombardment, Zwitter Ionic Molecule, chemistry, Chemical physics, Charge Migration, Astrophysics::Earth and Planetary Astrophysics, Splittings
Abstract: The way molecules break after ion bombardment is intimately related to the early electron dynamics generated in the system, in particular, charge (or electron) migration. We exploit the natural positive-negative charge splitting in the zwitterionic molecule betaine to selectively induce double electron removal from its negatively charged side by impact of fast O
Published: 2021

12. Space weathering on inner planetary surface analogues induced by swift multicharged heavy ion bombardment

Author: Martinez, R., Agnihotri, A., da Silveira, E.F., Palumbo, M.E., Strazzulla, G., Boduch, P., Domaracka, Alicja, Rothard, H., Matériaux, Défauts et IRradiations (MADIR), Centre de recherche sur les Ions, les MAtériaux et la Photonique (CIMAP - UMR 6252), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Matériaux Avancés (IRMA), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Université de Caen Normandie (UNICAEN), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS), and Atomes, Molécules et Agrégats (AMA)
Subjects: [PHYS]Physics [physics], Atmospheres, Solar wind, Impact processes, Space Weathering, Sputtering, Astronomy and Astrophysics, Mercury, Space and Planetary Science, evolution Silicate Irradiation, Energetic Heavy Ions, surface, Planetary surfaces, Moon, Cosmic rays
Abstract: International audience; Silicates are ubiquitous in space. They dominate the surfaces of the inner rocky planets (Mercury in the case of the Solar System), the Moon, and asteroids, forming the major part of the non-volatile material. The physical and chemical properties of the rocky surfaces are determined not only by their initial composition but also by the processes occurring on them. Here we discuss one of these processes; irradiation by energetic cosmic particles that induces many effects among which structural changes and sputtering, the latter contributing to the formation of exospheres. In the current work we report the results of experiments conducted on anorthite, jadeite and nepheline silicates that have been irradiated with energetic heavy ions with the aim to better understand the interaction of galactic cosmic rays, solar wind, and solar energetic particles with planetary and small body surfaces. The sputtering effects induced by energetic (MeV/u) multicharged heavy ions (e.g., 105 Rh and 140 Ba) were analyzed by the PDMS-TOF-SIMS technique (plasma desorption mass spectrometry-time-of-flight secondary ion mass spectrometry). Positive and negative secondary ionic species are identified: Na + , K + , Al + , Ca + , SiO2-. Ejection of (SiO2)nand (AlSi)Omcluster series are also observed. Less frequent, negative ion yields are one order of magnitude less than positive ones, or greater, which is the case for nepheline, with 0.671 ions impact-1 for positive and 0.126 ions impact-1 for negative ions. The results concerning ejection of ionic species show, for instance, that the Na + /K + ratio is ~2.5, which is in very good agreement with that observed in the Hermean exosphere found to be ~2.3.
Published: 2022

13. Polypeptide formation in clusters of β-alanine amino acids by single ion impact

Author: Manuel Alcamí, Patrick Rousseau, Fernando Martín, Sergio Díaz-Tendero, Dariusz G. Piekarski, Alicja Domaracka, Lamri Adoui, M. Capron, Bernd A. Huber, Normandie Université (NU), Centre de recherche sur les Ions, les MAtériaux et la Photonique (CIMAP - UMR 6252), Centre National de la Recherche Scientifique (CNRS)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Caen Normandie (UNICAEN), Universidad Autonoma de Madrid (UAM), Centre National de la Recherche Scientifique (CNRS), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Matériaux Avancés (IRMA), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS), and Universidad Autónoma de Madrid (UAM)
Subjects: Spectrometry, Mass, Electrospray Ionization, Reaction kinetics and dynamics, Science, General Physics and Astronomy, 02 engineering and technology, Molecular Dynamics Simulation, 010402 general chemistry, 01 natural sciences, Article, General Biochemistry, Genetics and Molecular Biology, Ion, Molecular dynamics, Fragmentation (mass spectrometry), Origin of life, Molecule, Peptide bond, Amino Acids, lcsh:Science, Ions, [PHYS]Physics [physics], chemistry.chemical_classification, Quantitative Biology::Biomolecules, Multidisciplinary, Tetrapeptide, Water, Dipeptides, General Chemistry, Astrobiology, 021001 nanoscience & nanotechnology, 0104 chemical sciences, Amino acid, Crystallography, chemistry, beta-Alanine, Mass spectrum, Thermodynamics, lcsh:Q, Peptides, 0210 nano-technology, Oligopeptides
Abstract: The formation of peptide bonds by energetic processing of amino acids is an important step towards the formation of biologically relevant molecules. As amino acids are present in space, scenarios have been developed to identify the roots of life on Earth, either by processes occurring in outer space or on Earth itself. We study the formation of peptide bonds in single collisions of low-energy He2+ ions (α-particles) with loosely bound clusters of β-alanine molecules at impact energies typical for solar wind. Experimental fragmentation mass spectra produced by collisions are compared with results of molecular dynamics simulations and an exhaustive exploration of potential energy surfaces. We show that peptide bonds are efficiently formed by water molecule emission, leading to the formation of up to tetrapeptide. The present results show that a plausible route to polypeptides formation in space is the collision of energetic ions with small clusters of amino acids., Formation of peptide bonds in cold gas-phase environments might represent a prebiotic synthesis route of polypeptides. Here, the authors show the formation of up to tetra-peptide species in the collision of He2+ ions, with kinetic energies typical for solar wind ions, with cold β-alanine clusters.
Published: 2020

14. Energetic Processing of Molecular and Metallic Nanoparticles by Ion Impact

Author: Patrick Rousseau, A. Domaracka, Arkadiusz Mika, and B.A. Huber
Subjects: Materials science, Nanotechnology, Metal nanoparticles, Ion
Published: 2020

15. Polypeptide formation in clusters of β-alanine amino acids by single ion impact

Author: Rousseau P., Piekarski D.G., Capron M., Domaracka A., Adoui L., Martín F., Alcamí M., Díaz-Tendero S., Huber B.A. and 'The experiments have been performed at the ARIBE facility, part of large-scale infrastructure GANIL. The research was conducted in the framework of the International Associated Laboratory (LIA) Fragmentation DYNAmics of complex MOlecular systems —DYNAMO, funded by the Centre National de la Recherche Scientifique (CNRS) and in the frame of the COST action CA18212 Molecular Dynamics in the GAS phase (MD-GAS). We further acknowledge the technical support by J.-M. Ramillon, C. Feierstein, and T. Been, and the contributions of B. Manil, V. Bernigaud, T. Schlathölter, R. Hoekstra, and S. Bari in earlier studies. The authors acknowledge the generous allocation of computer time at the Centro de Computación Científica at the Universidad Autónoma de Madrid (CCC-UAM). This work was partially supported by the MICINN—Spanish Ministry of Science and Innovation—projects FIS2016-77889-R and CTQ2016-76061-P, 'Severo Ochoa' Programme for Centres of Excellence in R & D (SEV-2016-0686) and 'María de Maeztu' Programme for Units of Excellence in R & D (CEX2018-000805-M).'
Published: 2020

16. Lights and shadows of NSAIDs in bone healing: the role of prostaglandins in bone metabolism

Author: Dariusz Kosson, Karolina Domaracka, and Barbara Lisowska
Subjects: 0301 basic medicine, Pharmaceutical Science, Inflammation, Review, Bone healing, Bone tissue, bone cells and metabolism, Bone and Bones, Dinoprostone, Bone remodeling, prostaglandins, 03 medical and health sciences, Osteogenesis, Osteoclast, Drug Discovery, Bone cell, medicine, Animals, Humans, Receptors, Prostaglandin E, Pharmacology, biology, Chemistry, Anti-Inflammatory Agents, Non-Steroidal, COX, Osteoblast, Cell biology, 030104 developmental biology, medicine.anatomical_structure, Prostaglandin-Endoperoxide Synthases, biology.protein, Bone Remodeling, Cyclooxygenase, medicine.symptom, Signal Transduction
Abstract: In this review, we discuss the current data about the anatomy and function of bone tissue with particular regard to influence of prostaglandins. Bone tissue dynamics are characterized by a constant remodeling process that involves all bone tissue cells. The communication between bone component cells and other organs is necessary for bone remodeling equilibrium and confirms the dynamic character of bone tissue. Remodeling is also a vital element of healing processes and in adapting bone tissue to stress responses. Therefore, in our review we present the role and significance of bone cells and signaling pathways enabling maintenance of bone homeostasis and remodeling process stability. Cyclooxygenase (COX) is a crucial enzyme in the production of prostaglandins and thromboxane. We focus on the role of COX isoenzymes with highlighting their connection with bone formation, resorption and repair. Prostaglandins are known as arachidonic acid metabolites acting through specific membrane receptors and play an important role in the regulation of osteoblast and osteoclast functions. Prostaglandin PGE2 with its four defined receptors (EP1R, EP2R, EP3R and EP4R) is crucial to maintain balanced bone turnover. Their stimulatory or inhibitory effects appear to depend on different structure-activity relations and signaling pathways. We have described the role of these receptors in bone metabolism and healing. We conclude that the activity of prostaglandins in bone tissue is defined by maintaining bone remodeling balance and its reactions to humoral mediators and mechanical stress. Most data confirm that among prostaglandins, PGE2 takes part in all processes of trauma response, including homeostasis, inflammation and healing, and plays a key role in bone physiology.
Published: 2018

17. Production of Hydronium Ion (H

Author: R, Martinez, A N, Agnihotri, Ph, Boduch, A, Domaracka, D, Fulvio, G, Muniz, M E, Palumbo, H, Rothard, and G, Strazzulla
Abstract: Water ice exists on many objects in space. The most abundant icy species, among them water, are present in the icy satellites of the outer Solar System giant planets. The nuclei of comets, which are mainly composed of water ice, give another example of its abundance. In the interstellar medium (ISM), ice mantles, formed by molecular species sticking on dust grains, consist mainly of water ice. All these objects are exposed to ionizing radiation like ions, UV photons, and electrons. Sputtering of atoms, molecules, ions, and radicals from icy surfaces may populate and maintain exospheres of icy objects in the Solar System. In other respects, ionized hydrides such as OH
Published: 2019

18. Fragmentation of Bi clusters by multiply charged ions

Author: Alicja Domaracka, Arkadiusz Mika, P. Rouseau, Bernd A. Huber, Centre de recherche sur les Ions, les MAtériaux et la Photonique (CIMAP - UMR 6252), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Matériaux Avancés (IRMA), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS), and Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)
Subjects: Physics, Fission, Nanoparticle, Trimer, Kinetic energy, 01 natural sciences, Molecular physics, 010305 fluids & plasmas, Ion, Metal, Semi-empirical mass formula, Fragmentation (mass spectrometry), visual_art, 0103 physical sciences, visual_art.visual_art_medium, [PHYS.COND]Physics [physics]/Condensed Matter [cond-mat], 010306 general physics
Abstract: We report on collisions of multiply charged ions with free Bi nanoparticles in the gas phase. The nanoparticles contain up to 650 Bi atoms corresponding to a diameter of 3.5 nm. The stability limit of multiply charged Bi clusters has been investigated yielding appearance sizes for Bi clusters in charge states up to $q=6$, which are in good agreement with predictions of the liquid drop model. This finding underlines the metallic character of the Bi particles. By coincidence measurements the correlation between the dominant fragments ${\mathrm{Bi}}^{+}$ and ${{\mathrm{Bi}}_{3}}^{+}$ and larger multiply charged residues has been determined. The comparison of the kinetic energies with $Q$-value calculations within the liquid drop model allowed identifying specific decay processes as two-body asymmetric fission or multifragmentation events. The higher kinetic energies of singly charged monomer ions compared to that of trimer ions are explained by a higher fissility of the decaying system. Correlation islands for small fragments indicate different decay mechanisms based on two-step processes where a third undetected fragment can be emitted in the first or the second step.
Published: 2019

19. Understanding the formation of metastable furan dication in collisions with ions

Author: Manuel Alcamí, Sergio Díaz-Tendero, Suvasthika Indrajith, Néstor F. Aguirre, Ewa Erdmann, Paola Bolognesi, Jacopo Chiarinelli, Patrick Rousseau, Lorenzo Avaldi, Marta Łabuda, Alicja Domaracka, and Bernd A. Huber
Subjects: History, chemistry.chemical_compound, chemistry, Furan, Metastability, Photochemistry, Computer Science Applications, Education, Dication, Ion
Abstract: Synopsis This work relies on complementary theoretical and experimental studies of the processes induced by ion-furan collisions. Results of the Molecular Dynamics simulations and exploration of the energy profiles combined with coincidence mass spectrometry provide complete picture of the fragmentation of furan dication.
Published: 2020

20. Energetic processing of hydrocarbons molecular species by ionizing radiation towards the formation of cyclic species

Author: Patrick Rousseau, J Kočišekt, Suvasthika Indrajith, Alicja Domaracka, Bernd A. Huber, Centre de recherche sur les Ions, les MAtériaux et la Photonique (CIMAP - UMR 6252), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Matériaux Avancés (IRMA), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), and Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)
Subjects: [PHYS]Physics [physics], History, Photon, Materials science, Electron, Molecular physics, Computer Science Applications, Education, Ion, Ionizing radiation
Abstract: Synopsis Here we report on experimental studies of the collisions between butadiene clusters and three different ionizing radiation sources: 70 eV electrons, 270 nm photons and 3 keV Ar+ ions. New molecular species are produced by growth mechanism inside of clusters.
Published: 2020

21. Ion-collision induced molecular growth in polycyclic aromatic hydrocarbon clusters: comparison of C16H10 structural isomers

Author: Arkadiusz Mika, Patrick Rousseau, Alicja Domaracka, R. Delaunay, Bernd A. Huber, Centre de recherche sur les Ions, les MAtériaux et la Photonique (CIMAP - UMR 6252), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS), Normandie Université (NU), Centre National de la Recherche Scientifique (CNRS), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Matériaux Avancés (IRMA), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), and Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)
Subjects: Fluoranthene, chemistry.chemical_classification, [PHYS.PHYS.PHYS-ATM-PH]Physics [physics]/Physics [physics]/Atomic and Molecular Clusters [physics.atm-clus], Optical physics, Polycyclic aromatic hydrocarbon, 02 engineering and technology, 010402 general chemistry, 021001 nanoscience & nanotechnology, Photochemistry, 01 natural sciences, Atomic and Molecular Physics, and Optics, 0104 chemical sciences, Ion, chemistry.chemical_compound, chemistry, Structural isomer, Cluster (physics), Pyrene, Molecule, [PHYS.ASTR]Physics [physics]/Astrophysics [astro-ph], 0210 nano-technology, ComputingMilieux_MISCELLANEOUS
Abstract: The interaction of 3 keV Ar+ ions with clusters of two structural isomers of C16H10 polycyclic aromatic hydrocarbons, namely fluoranthene and pyrene, has been studied. Following the collision with the atomic projectile, a rich molecular growth inside of the cluster is observed for both isomers. The observed growth processes include the hydrogenation of the parent molecule and the addition of CHx units. They are more important in the case of collisions with fluoranthene clusters, this can be explained by a more flexible carbon skeleton and lower reaction barriers. Moreover, the evolution of the hydrogenation with the size of the growth products gives information on the growth mechanisms.
Published: 2018

22. Insights into the dissociative ionization of glycine by PEPICO experiments

Author: Jacopo Chiarinelli, Alicja Domaracka, Lorenzo Avaldi, Feng Wang, Subhojyoti Chatterjee, Patrick Rousseau, Robert Richter, Paola Bolognesi, Mattea Carmen Castrovilli, Istituto di Struttura della Materia (CNR-ISM), Consiglio Nazionale delle Ricerche [Roma] (CNR), Centre de recherche sur les Ions, les MAtériaux et la Photonique (CIMAP - UMR 6252), Centre National de la Recherche Scientifique (CNRS)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Caen Normandie (UNICAEN), Normandie Université (NU), Centre National de la Recherche Scientifique (CNRS), Elettra Sincrotrone Trieste, Swinburne University of Technology [Melbourne], Eindhoven University of Technology [Eindhoven] (TU/e), National Research Council of Italy | Consiglio Nazionale delle Ricerche (CNR), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Matériaux Avancés (IRMA), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), and Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)
Subjects: General Physics and Astronomy, syncrotron radiation, 02 engineering and technology, Photon energy, 01 natural sciences, Ion, Fragmentation (mass spectrometry), Ionization, 0103 physical sciences, Physics::Atomic and Molecular Clusters, Molecular symmetry, Physical and Theoretical Chemistry, 010303 astronomy & astrophysics, Conformational isomerism, HOMO/LUMO, Lone pair, ComputingMilieux_MISCELLANEOUS, mass spectrometry, Quantitative Biology::Biomolecules, Chemistry, [PHYS.PHYS.PHYS-ATM-PH]Physics [physics]/Physics [physics]/Atomic and Molecular Clusters [physics.atm-clus], 021001 nanoscience & nanotechnology, PEPICO, 3. Good health, PES, Crystallography, [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph], 0210 nano-technology, glycine
Abstract: The fragmentation of glycine (NH2CH2COOH) has been studied by photoelectron-photoion coincidence, PEPICO, experiments at 60 eV photon energy. Glycine practically fragments at the ionization threshold, with the charge being on the H2NCH2+ moiety, due to ejection of an electron from the nitrogen lone pair of the highest occupied molecular orbital. To observe the formation of the complementary cation COOH+ further energy is needed. The flexibility with respect to rotation about the C-C, C-N and C-O bonds makes glycine exist in the gas phase in several conformers of both Cs and C1 point group symmetry in the neutral as well as ion states. The ionization can lead to stabilization of some conformations, rearrangements and, last but not least, H migration between the two moieties. The results of these experiments prove the sensitivity of PEPICO to pin point all these processes.
Published: 2018

23. Ion collision-induced chemistry in pure and mixed loosely bound clusters of coronene and C

Author: Alicja, Domaracka, Rudy, Delaunay, Arkadiusz, Mika, Michael, Gatchell, Henning, Zettergren, Henrik, Cederquist, Patrick, Rousseau, and Bernd A, Huber
Abstract: Ionization, fragmentation and molecular growth have been studied in collisions of 22.5 keV He2+- or 3 keV Ar+-projectiles with pure loosely bound clusters of coronene (C24H12) molecules or with loosely bound mixed C60-C24H12 clusters by using mass spectrometry. The heavier and slower Ar+ projectiles induce prompt knockout-fragmentation - C- and/or H-losses - from individual molecules and highly efficient secondary molecular growth reactions before the clusters disintegrate on picosecond timescales. The lighter and faster He2+ projectiles have a higher charge and the main reactions are then ionization by ions that are not penetrating the clusters. This leads mostly to cluster fragmentation without molecular growth. However, here penetrating collisions may also lead to molecular growth but to a much smaller extent than with 3 keV Ar+. Here we present fragmentation and molecular growth mass distributions with 1 mass unit resolution, which reveals that the same numbers of C- and H-atoms often participate in the formation and breaking of covalent bonds inside the clusters. We find that masses close to those with integer numbers of intact coronene molecules, or with integer numbers of both intact coronene and C60 molecules, are formed where often one or several H-atoms are missing or have been added on. We also find that super-hydrogenated coronene is formed inside the clusters.
Published: 2018

24. Unusual hydroxyl migration in the fragmentation of β-alanine dication in the gas phase

Author: Patrick Rousseau, Manuel Alcamí, Sylvain Maclot, Dariusz G. Piekarski, Sergio Díaz-Tendero, Alicja Domaracka, Lamri Adoui, R. Delaunay, Fernando Martín, Bernd A. Huber, Departamento de Qímica, Módulo 13, Universidad Autónoma de Madrid, Departamento de Qímica, Centre de recherche sur les Ions, les MAtériaux et la Photonique (CIMAP - UMR 6252), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Matériaux Avancés (IRMA), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS), and Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)
Subjects: General Physics and Astronomy, Collisions of ions and atomic/molecular targets, Molecular Dynamics Simulation, 010402 general chemistry, 01 natural sciences, Dissociation (chemistry), Ion, Molecular dynamics, chemistry.chemical_compound, Fragmentation (mass spectrometry), Fragmentation, Computational chemistry, Cations, Hydroxides, Molecule, Hydroxymethyl, Physics::Chemical Physics, Physical and Theoretical Chemistry, Biomolecules, 010405 organic chemistry, Chemistry, [PHYS.PHYS.PHYS-ATM-PH]Physics [physics]/Physics [physics]/Atomic and Molecular Clusters [physics.atm-clus], Coulomb explosion, Química, B-alanine, 0104 chemical sciences, Dication, Amino Acid, Gas, beta-Alanine, Gases, [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph]
Abstract: We present a combined experimental and theoretical study of the fragmentation of doubly positively charged b-alanine molecules in the gas phase. The dissociation of the produced dicationic molecules, induced by low-energy ion collisions, is analysed by coincidence mass spectrometric techniques; the coupling with ab initio molecular dynamics simulations allows rationalisation of the experimental observations. The present strategy gives deeper insights into the chemical mechanisms of multiply charged amino acids in the gas phase. In the case of the b-alanine dication, in addition to the expected Coulomb explosion and hydrogen migration processes, we have found evidence of hydroxyl-group migration, which leads to unusual fragmentation products, such as hydroxymethyl cation, and is necessary to explain some of the observed dominant channels, Financial support received from the CNRS PICS-05356 program, the ANR Programme Blanc PIBALE/ANR-09-BLAN-013001. Work was partially supported by the projects FIS2013-42002-R and CTQ2013-43698-P (MINECO), and NANOFRONTMAG (CAM). D.G.P. acknowledges the support of the Erasmus Mundus program of the European Union (FPA 2010-0147)
Published: 2015

25. Fragmentation of pure and hydrated clusters of 5Br-uracil by low energy carbon ions: observation of hydrated fragments

Author: Alicja Domaracka, Sylvain Maclot, Jaroslav Kočišek, Patrick Rousseau, Paola Bolognesi, R. Delaunay, Mattea Carmen Castrovilli, Bernd A. Huber, Lorenzo Avaldi, P. Markush, Antonella Cartoni, Istituto di Struttura della Materia (CNR-ISM), National Research Council of Italy | Consiglio Nazionale delle Ricerche (CNR), Centre de recherche sur les Ions, les MAtériaux et la Photonique (CIMAP - UMR 6252), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Matériaux Avancés (IRMA), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS), Normandie Université (NU), Department of Chemistry University 'La Sapienza', Università degli Studi di Roma 'La Sapienza' = Sapienza University [Rome] (UNIROMA), Centre National de la Recherche Scientifique (CNRS), J. Heyrovsky Institute of Physical Chemistry (JH-INST), Czech Academy of Sciences [Prague] (CAS), Consiglio Nazionale delle Ricerche [Roma] (CNR), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS), and Università degli Studi di Roma 'La Sapienza' = Sapienza University [Rome]
Subjects: collision-induced dissociation, gas-phase, halogenated pyrimidine, malignant glioma, Strong interaction, General Physics and Astronomy, 02 engineering and technology, 010402 general chemistry, 01 natural sciences, Ion, chemistry.chemical_compound, Low energy, Fragmentation (mass spectrometry), Cluster (physics), Molecule, Physical and Theoretical Chemistry, ComputingMilieux_MISCELLANEOUS, Chemistry, [PHYS.PHYS.PHYS-ATM-PH]Physics [physics]/Physics [physics]/Atomic and Molecular Clusters [physics.atm-clus], Uracil, 021001 nanoscience & nanotechnology, COLLISION-INDUCED DISSOCIATION, GAS-PHASE, HALOGENATED PYRIMIDINE, RADIATION-THERAPY, AUGER PROCESSES, X-RAYS, 5-BROMOURACIL, URACIL, 0104 chemical sciences, Crystallography, 13. Climate action, [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph], 0210 nano-technology
Abstract: [object Object]The fragmentation of the isolated 5-bromouracil (5BrU) molecule and pure and nano-hydrated 5BrU clusters induced by low energy C-12(4+) ions has been studied. A comparison indicates that the environment, on the one hand, protects the system against the complete break-up into small fragments, but, on the other hand, triggers 'new' pathways for fragmentation, for example the loss of the OH group. The most striking result is the observation of several series of hydrated fragments in the hydrated cluster case, with water molecules bound to hydrophilic sites of 5BrU. This highlights the strong interaction between 5BrU and water molecules and the blocking of specific fragmentation pathways, such as the loss of the BrC2H group for example.
Published: 2017

26. Radioresistance of Adenine to Cosmic Rays

Author: Alicja Domaracka, R. Martinez, B. Augé, Christian F Mejía, Hermann Rothard, Gabriel S. Vignoli Muniz, Philippe Boduch, Centre de recherche sur les Ions, les MAtériaux et la Photonique (CIMAP - UMR 6252), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS), Federal University of Amapà, Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Matériaux Avancés (IRMA), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), and Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)
Subjects: Astrochemistry, 010504 meteorology & atmospheric sciences, Spectrophotometry, Infrared, Cosmic ray, 01 natural sciences, Ionizing radiation, Nucleobase, Ion, 0103 physical sciences, Stopping power (particle radiation), Heavy Ions, Irradiation, Spectroscopy, 010303 astronomy & astrophysics, 0105 earth and related environmental sciences, [SDU.ASTR]Sciences of the Universe [physics]/Astrophysics [astro-ph], Chemistry, Adenine, Radiochemistry, Ice, Temperature, Water, Agricultural and Biological Sciences (miscellaneous), 13. Climate action, Space and Planetary Science, ddc:520, [PHYS.ASTR]Physics [physics]/Astrophysics [astro-ph], Cosmic Radiation
Abstract: International audience; The presence of nucleobases in carbonaceous meteorites on Earth is an indication of the existence of this class of molecules in outer space. However, space is permeated by ionizing radiation, which can have damaging effects on these molecules. Adenine is a purine nucleobase that amalgamates important biomolecules such as DNA, RNA, and ATP. Adenine has a unique importance in biochemistry and therefore life. The aim of this work was to study the effects of cosmic ray analogues on solid adenine and estimate its survival when exposed to corpuscular radiation.Adenine films were irradiated at GANIL (Caen, France) and GSI (Darmstadt, Germany) by 820 MeV Kr33+, 190 MeV Ca10+, 92 MeV Xe23+, and 12 MeV C4+ ion beams at low temperature. The evolution of adenine molecules under heavy ion irradiation was studied by IR absorption spectroscopy as a function of projectile fluence.It was found that the adenine destruction cross section (σd) follows an electronic stopping power (Se) power law under the form: CSen; C is a constant, and the exponential n is a dimensionless quantity. Using the equation above to fit our results, we determined σd = 4 × 10−17Se1.17, with Se in kiloelectronvolts per micrometer (keV μm−1). New IR absorption bands arise under irradiation of adenine and can be attributed to HCN, CN-, C2H4N4, CH3CN, and (CH3)3CNC.These findings may help to understand the stability and chemistry related to complex organic molecules in space. The half-life of solid adenine exposed to the simulated interstellar medium cosmic ray flux was estimated as (10 ± 8) × 106 years. Key Words: Heavy ions—Infrared spectroscopy—Astrochemistry—Cosmic rays—Nucleobases—Adenine. Astrobiology 17, 298–308.
Published: 2017

27. Production of doubly-charged highly reactive species from the long-chain amino acid GABA initiated by Ar

Author: Dariusz Grzegorz, Piekarski, Rudy, Delaunay, Arkadiusz, Mika, Sylvain, Maclot, Lamri, Adoui, Fernando, Martín, Manuel, Alcamí, Bernd A, Huber, Patrick, Rousseau, Sergio, Díaz-Tendero, and Alicja, Domaracka
Subjects: Ions, Spectrometry, Mass, Electrospray Ionization, Quantum Theory, Electrons, Gases, Argon, Molecular Dynamics Simulation, Reactive Oxygen Species, Reactive Nitrogen Species, gamma-Aminobutyric Acid
Abstract: We present a combined experimental and theoretical study of the fragmentation of multiply-charged γ-aminobutyric acid molecules (GABA
Published: 2017

28. Production of doubly-charged highly reactive species from the long-chain amino acid GABA initiated by Ar9+ ionization

Author: Piekarski D.G., Delaunay R., Mika A., Maclot S., Adoui L., Martín F., Alcamí M., Huber B.A., Rousseau P., Díaz-Tendero S., Domaracka A.
Published: 2017

29. Processing of low carbon content interstellar ice analogues by cosmic rays: implications for the chemistry around oxygen-rich stars

Author: A. L. F. de Barros, Ph. Boduch, Hermann Rothard, Sergio Pilling, Alicja Domaracka, E. F. da Silveira, Centro Federal de Educação Tecnológica Celso Suckow da Fonseca (Rio de Janeiro) ( CEFET/RJ), Pontifical Catholic University of Rio de Janeiro (PUC), Universidade do Vale do Paraíba (UNIVAP), Centre de recherche sur les Ions, les MAtériaux et la Photonique (CIMAP - UMR 6252), Centre National de la Recherche Scientifique (CNRS)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Caen Normandie (UNICAEN), Normandie Université (NU), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Matériaux Avancés (IRMA), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), and Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)
Subjects: Astrochemistry, 010504 meteorology & atmospheric sciences, Interstellar ice, chemistry.chemical_element, Astronomy, Astronomy and Astrophysics, Cosmic ray, 01 natural sciences, Astrobiology, Stars, chemistry, [SDU]Sciences of the Universe [physics], 13. Climate action, Space and Planetary Science, 0103 physical sciences, Oxygen rich, [PHYS.ASTR]Physics [physics]/Astrophysics [astro-ph], 010303 astronomy & astrophysics, Carbon, ComputingMilieux_MISCELLANEOUS, 0105 earth and related environmental sciences
Abstract: International audience
Published: 2014

30. Implantation of multiply charged sulfur ions in water ice

Author: S. Guillous, J. J. Ding, Alicja Domaracka, Giovanni Strazzulla, Hermann Rothard, Maria Elisabetta Palumbo, X. Y. Lv, Philippe Boduch, T. Langlinay, Centre de recherche sur les Ions, les MAtériaux et la Photonique (CIMAP - UMR 6252), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS), INAF - Osservatorio Astrofisico di Catania (OACT), Istituto Nazionale di Astrofisica (INAF), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Matériaux Avancés (IRMA), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), and Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)
Subjects: Range (particle radiation), Materials science, 010504 meteorology & atmospheric sciences, Ion beam, Analytical chemistry, chemistry.chemical_element, Astronomy and Astrophysics, Sulfuric acid, 01 natural sciences, 7. Clean energy, Sulfur, Ion, chemistry.chemical_compound, Ion implantation, chemistry, 13. Climate action, Space and Planetary Science, 0103 physical sciences, Irradiation, Atomic physics, Fourier transform infrared spectroscopy, [PHYS.ASTR]Physics [physics]/Astrophysics [astro-ph], 010303 astronomy & astrophysics, ComputingMilieux_MISCELLANEOUS, 0105 earth and related environmental sciences
Abstract: Sulfuric acid has been suggested to be present on the surface of the jovian moon Europa where it is mixed with the dominant water ice. The formation mechanism of sulfuric acid is still under discussion. We present new experimental results on the implantation of S q + ( q = 7, 9, 11) ions at an energy range between 35 and 176 keV in water ice at 80 K. Previous results on 200 keV S + implantation in H 2 O at 80 K have also been included in the data analysis. Experiments with multiply-charged ions at different energies are particularly relevant to simulate the complexity of the irradiation environment to which the surface of Europa is exposed being embedded in the jovian magnetosphere. The experiments were performed at the low energy ion beam facility ARIBE of GANIL in Caen (France). 35–176 keV S q + ( q = 7, 9, 11) ions were implanted in solid H 2 O layers which were frozen at 80 K. Fourier Transform Infrared Spectrometry (FTIR) was used to analyze the sample in the 5000–600 cm −1 (2–16.7 μm) region with a spectral resolution of 1 cm −1 . The results of our experiments indicate that implantation produces hydrated sulfuric acid with yields that increase with ion energy, from 0.12 molecules ion −1 for 35 keV ions to 0.64 molecules ion −1 for 200 keV ions. We have also searched for the production of SO 2 and H 2 S, but we were not able to find any evidence for their synthesis. We conclude that sulfur ion implantation is the dominant formation mechanism of hydrated sulfuric acid at Europa. The suggestion that the observed distribution of sulfuric acid on the surface is well correlated with the local flux of sulfur ions find a full explanation by present experimental data.
Published: 2013

31. Cosmic ray–ice interaction studied by radiolysis of 15 K methane ice with MeV O, Fe and Zn ions

Author: C. Mejía, Philippe Boduch, Alicja Domaracka, E. F. da Silveira, Hermann Rothard, Vinicius Bordalo, A. L. F. de Barros, Centro Federal de Educação Tecnológica Celso Suckow da Fonseca (Rio de Janeiro) ( CEFET/RJ), Pontifical Catholic University of Rio de Janeiro (PUC), Centre de recherche sur les Ions, les MAtériaux et la Photonique (CIMAP - UMR 6252), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Matériaux Avancés (IRMA), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), and Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)
Subjects: Astrochemistry, 010504 meteorology & atmospheric sciences, Infrared, Analytical chemistry, Cosmic ray, 7. Clean energy, 01 natural sciences, Methane, Ion, chemistry.chemical_compound, 0103 physical sciences, Spectroscopy, 010303 astronomy & astrophysics, ComputingMilieux_MISCELLANEOUS, 0105 earth and related environmental sciences, Physics, [SDU.ASTR]Sciences of the Universe [physics]/Astrophysics [astro-ph], Astronomy and Astrophysics, Interstellar medium, chemistry, [SDU]Sciences of the Universe [physics], 13. Climate action, Space and Planetary Science, Radiolysis, Atomic physics, [PHYS.ASTR]Physics [physics]/Astrophysics [astro-ph]
Abstract: Methane (CH4) ice is found in the interstellar medium and in several bodies of the Solar system, where it is commonly exposed to cosmic rays and stellar winds. The chemical, physical and structural effects induced by fast heavy ions in thin layers of pure CH4 ices at 15 K are analysed by mid-infrared spectroscopy (Fourier transform infrared). Different pure CH4 ice samples were irradiated with 6 MeV 16 O 2 + , 220 MeV 16 O 7 + , 267 MeV 56 Fe 22 + and 606 MeV 70 Zn 26 + ions at Grand Acc´´ National d’Ions Lourds/France. Results show that CnHm molecules, where n = 2–4 and m = 2(n − 1) to 2(n + 1) and radical species CH3 ,C 2H3 and C2H5 are formed. The destruction cross-sections of CH4 ice and the formation cross-sections of new molecules CnHm are reported. The extrapolation of current results allow us to estimate the half lives of CH4 ices in the interstellar medium and the Solar system (Earth orbit) as about 600 × 10 6 and 600 yr, respectively. This huge ratio strongly suggests that the vast majority of
Published: 2013

32. The irradiation of pure CH3OH and 1:1 mixture of NH3:CH3OH ices at 30K using low energy electrons

Author: Sylwia Ptasinska, Nigel J. Mason, Sohan Jheeta, Bhalamurugan Sivaraman, and Alicja Domaracka
Subjects: Formamide, Chemistry, Methyl formate, Formic acid, Inorganic chemistry, Formaldehyde, General Physics and Astronomy, Photochemistry, Isocyanic acid, Cyanate, chemistry.chemical_compound, Methanol, Physical and Theoretical Chemistry, Carbon monoxide
Abstract: The results of an experimental investigation of 1 keV electron irradiation of ices (deposited at 30 K) of (i) pure methanol and (ii) of a 1:1 mixture of NH3:CH3OH are reported. Molecular products formed within the ice were detected and monitored using FTIR spectroscopy. The products observed were methyl formate (H3COHCO), methane (CH4), hydroxymethyl (CH2OH), formamide (HCONH2), formic acid (HCOOH), formaldehyde (H2CO), formyl radical (HCO), cyanate ion (OCN−), isocyanic acid (HNCO), carbon monoxide (CO) and carbon dioxide (CO2). The consequences of these results for prebiotic chemistry in the interstellar medium and star forming regions are discussed.
Published: 2013

33. The role of the environment in the ion induced fragmentation of uracil

Author: Paola Bolognesi, Jaroslav Kočišek, R. Delaunay, Mattea Carmen Castrovilli, Sylvain Maclot, Bernd A. Huber, Patrick Rousseau, Pal Markush, Antonella Cartoni, Lorenzo Avaldi, Alicja Domaracka, CNR-ISM, Department of Chemistry University 'La Sapienza', Università degli Studi di Roma 'La Sapienza' = Sapienza University [Rome] (UNIROMA), Centre de recherche sur les Ions, les MAtériaux et la Photonique (CIMAP - UMR 6252), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Matériaux Avancés (IRMA), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS), Università degli Studi di Roma 'La Sapienza' = Sapienza University [Rome], and Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)
Subjects: physics and astronomy (all), physical and theoretical chemistry, electron attachment, photodissociation, attachment DEA, General Physics and Astronomy, Collisions of ions and atomic/molecular targets, 02 engineering and technology, 010402 general chemistry, 01 natural sciences, Ion, chemistry.chemical_compound, Fragmentation (mass spectrometry), Computational chemistry, Molecule, uracil, Physical and Theoretical Chemistry, [PHYS.PHYS.PHYS-ATM-PH]Physics [physics]/Physics [physics]/Atomic and Molecular Clusters [physics.atm-clus], Fragmentation dynamics, Uracil, 021001 nanoscience & nanotechnology, 0104 chemical sciences, chemistry, Biomolecular clusters, [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph], 0210 nano-technology
Abstract: International audience; The fragmentation of uracil molecules and pure and nano-hydrated uracil clusters by 12C4+ ion impact is investigated. This work focuses on the fragmentation behavior of complex systems and the effect of the environment. On the one hand, it is found that the environment in the form of surrounding uracil or water molecules has a significant influence on the fragmentation dynamics, providing an overall ‘protective’ effect, while on the other hand we observe the opening of specific fragmentation channels. In particular, we report on the first observation of a series of hydrated fragments. This indicates a strong interaction between uracil and water molecules, holding the water clusters bound to the observed molecular fragments.
Published: 2016

34. Determination of Energy-Transfer Distributions in Ionizing Ion-Molecule Collisions

Author: Maclot S., Delaunay R., Piekarski D.G., Domaracka A., Huber B.A., Adoui L., Martín F., Alcamí M., Avaldi L., Bolognesi P., Díaz-Tendero S., Rousseau P.
Published: 2016

35. Formation of unsaturated hydrocarbons in interstellar ice analogues by cosmic rays

Author: Diana P. P. Andrade, Philippe Boduch, Hermann Rothard, E. F. da Silveira, Sergio Pilling, and Alicja Domaracka
Subjects: Physics, Astrochemistry, Cyclohexane, Interstellar ice, Cyclohexene, Astronomy and Astrophysics, Aromaticity, 010402 general chemistry, Mass spectrometry, 01 natural sciences, 0104 chemical sciences, Ion, chemistry.chemical_compound, chemistry, Space and Planetary Science, Hexene, 0103 physical sciences, Physical chemistry, 010303 astronomy & astrophysics
Abstract: The formation of C=C and C≡C bonds from the processing of pure c-C6H12 (cyclo- hexane) and mixed H2O:NH3:c-C6H12 (1:0.3:0.7) ices by highly-charged, and energetic ions (219 MeV 16 O 7+ and 632 MeV 58 Ni 24+ ) is studied. The experiments simulate the physical chemistry induced by medium-mass and heavy-ion cosmic rays in interstellar ices analogs. The measurements were performed inside a high vacuum chamber at the heavy-ion acceler- ator GANIL (Grand Accelerateur National d'Ions Lourds) i n Caen, France. The gas samples were deposited onto a polished CsI substrate previously cooled to 13 K. In-situ analysis was performed by a Fourier transform infrared (FTIR) spectrometry at different ion fluences. Dis- sociation cross section of cyclohexane and its half-life in astrophysical environments were determined. A comparison between spectra of bombarded ices and young stellar sources in- dicates that the initial composition of grains in theses env ironments should contain a mixture of H2O, NH3, CO (or CO2), simple alkanes, and CH3OH. Several species containing double or triple bounds were identified in the radiochemical produc ts, such as hexene, cyclohexene, benzene, OCN − , CO, CO2, as well as several aliphatic and aromatic alkenes and alkynes. The results suggest an alternative scenario for the product ion of unsaturated hydrocarbons and possibly aromatic rings (via dehydrogenation processes) in interstellar ices induced by cosmic ray bombardment.
Published: 2012

36. Low-energy ions interacting with anthracene molecules and clusters

Author: J. Y. Chesnel, Henning Zettergren, Alicja Domaracka, Lamri Adoui, Patrick Rousseau, Henrik Cederquist, Jimmy Rangama, Anne I. S. Holm, Stefan Rosén, A. Méry, Bruno Manil, E. Lattouf, Henning T. Schmidt, Bernd A. Huber, R. Maisonny, Sylvain Maclot, M. Capron, H. A. B. Johansson, A. Ławicki, F. Seitz, Centre de recherche sur les Ions, les MAtériaux et la Photonique (CIMAP - UMR 6252), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Matériaux Avancés (IRMA), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS), Department of Physics [Stockholm], Stockholm University, Laboratoire de Physique des Lasers (LPL), Université Paris 13 (UP13)-Centre National de la Recherche Scientifique (CNRS), AlbaNova University Center, Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS), Centre National de la Recherche Scientifique (CNRS)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Caen Normandie (UNICAEN), and Normandie Université (NU)
Subjects: [PHYS]Physics [physics], Nuclear and High Energy Physics, Chemical ionization, Anthracene, Photochemistry, 01 natural sciences, 7. Clean energy, Molecular physics, Ion, chemistry.chemical_compound, Monomer, chemistry, Fragmentation (mass spectrometry), Ionization, 0103 physical sciences, Molecule, 010306 general physics, 010303 astronomy & astrophysics, Instrumentation, ComputingMilieux_MISCELLANEOUS, Electron ionization
Abstract: The interaction of slow ions ( v ∼ 0.4 a.u. ) with a small polycyclic aromatic hydrocarbon, namely anthracene (C 14 H 10 ), is studied in the gas-phase either with the isolated molecule or with a pure cluster target. We discuss the ionization and fragmentation of the molecule with respect to the projectile charge state, i.e. for singly charged He + ions and for multiply charged Xe 20+ ions. For the isolated C 14 H 10 , single or multiple ionization of the molecule occurs under ion impact. The (multi) cation relative yields are compared with those obtained by other ionization methods (electron and fs-laser). The molecular dissociation occurs by loss of hydrogen and small hydrocarbon molecules, leading to the formation of C n H x cations. The interaction of Xe 20+ with C 14 H 10 clusters gives surprising results, i.e. the emission of hotter monomer compared to the interaction with He + .
Published: 2012

37. Radiolysis of frozen methanol by heavy cosmic ray and energetic solar particle analogues

Author: E. F. da Silveira, Alicja Domaracka, Philippe Boduch, Diana P. P. Andrade, Hermann Rothard, and A. L. F. de Barros
Subjects: Physics, Astrochemistry, Ion beam, Hydrogen, Analytical chemistry, chemistry.chemical_element, Infrared spectroscopy, Astronomy and Astrophysics, Dissociation (chemistry), Ion, chemistry, Space and Planetary Science, Radiolysis, Astrophysics::Earth and Planetary Astrophysics, Irradiation, Atomic physics, Astrophysics::Galaxy Astrophysics
Abstract: The chemical and physical effects induced by fast heavy ion irradiation on frozen pure methanol (CH3OH) at 15 K were studied. These energetic ions can simulate the energy transfer processes that occur by cosmic ray irradiation of interstellar ices, comets and icy Solar system bodies. The analysis was made by infrared spectroscopy (Fourier transform infrared) before and after irradiation, with 16-MeV 16O5+, 220-MeV 16O7+, 606-MeV 65Zn20+ and 774-MeV 86Kr31+ ion beams. Integrated values of the absorbance of the main methanol bands were determined. The induced CH3OH dissociation gives rise to the formation of molecular species, particularly H2CO, CH2OH, CH4, CO, CO2, HCO and HCOOCH3. Their formation and dissociation cross-sections were determined. H2CO and CH4 molecules are in general the most abundant new products of the four beams analysed. Except for the HCO and CH2OH species, cross-sections increased with the electronic stopping power, roughly as σ∼S3/2e. The G values for CH3OH destruction by fast heavy ion irradiation with Zn and Kr beams were found to be considerably larger than those for oxygen, helium or hydrogen. As an astrophysical implication, the S3/2e power law should be very helpful for predicting the CH3OH formation and dissociation cross-sections for other ion beam projectiles and energies. As astrophysical point of view, the analysis of the predictions reveals the unexpected importance of iron and some other heavy ion constituents of cosmic rays in astrochemistry.
Published: 2011

38. Destruction of CO ice and formation of new molecules by irradiation with 28keV O6+ ions

Author: Philippe Boduch, Alicja Domaracka, E. F. da Silveira, E. Seperuelo Duarte, A. L. F. de Barros, L. S. Farenzena, and Hermann Rothard
Subjects: Nuclear and High Energy Physics, Astrochemistry, Sputtering, Chemistry, Analytical chemistry, Molecule, Astrophysics::Earth and Planetary Astrophysics, Irradiation, Fourier transform infrared spectroscopy, Instrumentation, Fluence, Dissociation (chemistry), Ion
Abstract: The effect of solar wind on cometary ice was studied by using oxygen ions with energy near to that corresponding to their maximum abundance in space for bombarding CO ice. This gas was condensed on a CsI substrate at 14 K and irradiated by 28 keV 18O6+ ions up to a final fluence of 1.3 × 1016 cm−2. We have used a methodology in which the sputtering yields, the destruction rate of CO, and the rate of formation of new molecular species are determined by Fourier transform infrared spectroscopy (FTIR). In the current experiment, the condensation of a thin water ice film has prevented the CO sputtering. Quantities such as the dissociation yield, Yd (the number of ice molecules destroyed or dissociated per projectile impact), and the formation yield, Yf (the number of daughter molecules of a given species formed per projectile) are found to be more appropriate and useful than using an integrated or average cross section, since the projectiles are slowing down in the ice from their initial energy until zero velocity (implantation).
Published: 2011

39. Infrared study of astrophysical ice analogues irradiated by swift nickel ions

Author: E. F. da Silveira, Alicja Domaracka, Emmanuel Dartois, L. S. Farenzena, Sergio Pilling, Ph. Boduch, J.M. Ramillon, Hermann Rothard, and E. Seperuelo Duarte
Subjects: Physics, Nuclear and High Energy Physics, Solar System, Range (particle radiation), Infrared, Cosmic ray, Ion, Interstellar medium, Sputtering, Astrophysics::Earth and Planetary Astrophysics, Irradiation, Atomic physics, Nuclear Experiment, Instrumentation, Physics::Atmospheric and Oceanic Physics
Abstract: Water, carbon oxide, carbon dioxide, and ammonia ices are known to be pervasive constituents of the solar system and the interstellar medium. These ices and ice-covered surfaces are exposed to bombardment by energetic projectiles like photons, electrons, and ions. Laboratory experiments have been carried out to study the effects of such irradiation. However, there is a clear lack of information about the interaction of heavy ion components of solar/stellar wind and galactic cosmic rays (e.g. Fe) with ices in the keV to GeV energy range. The objective of this work is to study the effects produced in astrophysical ices by highly charged nickel ions at relatively high energy (∼50–500 MeV) in the electronic energy loss regime, and to compare them with those produced by protons, photons, and electrons. Our results for CO 2 and CO indicate that sputtering induced by heavy ions can be an important mechanism to desorb molecules in astrophysical environments.
Published: 2010

40. A tandem mass spectrometer for crossed-beam irradiation of mass-selected molecular systems by keV atomic ions

Author: Jean-Christophe Poully, Alicja Domaracka, Patrick Rousseau, Lamri Adoui, Bernd A. Huber, Mathieu Lalande, Jimmy Rangama, Jean-Yves Chesnel, Sylvain Maclot, Violaine Vizcaino, A. Méry, Lucas Schwob, Centre de recherche sur les Ions, les MAtériaux et la Photonique (CIMAP - UMR 6252), Centre National de la Recherche Scientifique (CNRS)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Caen Normandie (UNICAEN), Normandie Université (NU), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Matériaux Avancés (IRMA), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), and Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)
Subjects: Spectrometry, Mass, Electrospray Ionization, Materials science, Ion beam, Electrospray ionization, Electrons, 02 engineering and technology, 010402 general chemistry, Mass spectrometry, Helium, Proof of Concept Study, 01 natural sciences, Ion, Fragmentation (mass spectrometry), Tandem Mass Spectrometry, Physics::Plasma Physics, Ionization, [PHYS.PHYS.PHYS-INS-DET]Physics [physics]/Physics [physics]/Instrumentation and Detectors [physics.ins-det], Instrumentation, ComputingMilieux_MISCELLANEOUS, Ions, [PHYS.PHYS.PHYS-ATM-PH]Physics [physics]/Physics [physics]/Atomic and Molecular Clusters [physics.atm-clus], Equipment Design, equipment and supplies, 021001 nanoscience & nanotechnology, Ion source, 0104 chemical sciences, Kinetics, [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph], Gases, Ion trap, Atomic physics, 0210 nano-technology, Enkephalin, Leucine
Abstract: In the present paper, we describe a new home-built crossed-beam apparatus devoted to ion-induced ionization and fragmentation of isolated biologically relevant molecular systems. The biomolecular ions are produced by an electrospray ionization source, mass-over-charge selected, accumulated in a 3D ion trap, and then guided to the extraction region of an orthogonal time-of-flight mass spectrometer. Here, the target molecular ions interact with a keV atomic ion beam produced by an electron cyclotron resonance ion source. Cationic products from the collision are detected on a position sensitive detector and analyzed by time-of-flight mass spectrometry. A detailed description of the operation of the setup is given, and early results from irradiation of a protonated pentapeptide (leucine-enkephalin) by a 7 keV He+ ion beam are presented as a proof-of-principle.
Published: 2018

41. Chemistry induced by low-energy electrons in condensed multilayers of pure small organic acids

Author: Isabel Martin, A. Lafosse, A. Domaracka, M. Bertin, Roger Azria, and Eugen Illenberger
Subjects: chemistry.chemical_classification, Range (particle radiation), Decarboxylation, Formic acid, Carboxylic acid, High resolution electron energy loss spectroscopy, Condensed Matter Physics, Photochemistry, Ion, chemistry.chemical_compound, chemistry, Trifluoroacetic acid, Irradiation, Physical and Theoretical Chemistry, Instrumentation, Spectroscopy
Abstract: Electron-induced decarboxylation in condensed films of formic acid HCOOH, partially deuterated acetic acid CH3COOD and trifluoroacetic acid CF3COOH, has been studied in the energy range 0.7–20 eV by high resolution electron energy loss spectroscopy (HREELS). The yield of carbon dioxide formation shows a peak around 1 eV irradiation energy associated with a resonant mechanism involving the transient negative ion [RCOOH] #− and an essentially non-resonant contribution increasing with irradiation energy above an onset located in the range 6–9 eV, depending on the carboxylic acid under consideration. The remarkable point of this study is that it is possible to selectively control the decarboxylation reaction by tuning the electron energy of irradiation.
Published: 2008

42. BENEFITS OF BROWNFIELDS REVITALISATION IN PROMOTING TOURISM DEVELOPMENT IN SLOVAKIA � A CASE STUDY

Author: Lucia Domaracka
Subjects: Geography, Environmental planning, Tourism
Published: 2015

43. Slow ion interaction with N-methylglycine and N-acetylglycine

Author: Kocisek J., Tendero S.D., Piekarskh D.G., Delaunay R., Huber B.A., Adoui L., Alcami M., Martín F., Rousseau P., Domaracka A., Kopyra J.
Published: 2015

44. Charge and energy flows in ionised thymidine

Author: Paola Bolognesi, Sylvain Maclot, Alicja Domaracka, Lamri Adoui, Lorenzo Avaldi, Dariusz G. Piekarski, Sergio Díaz-Tendero, Fernando Martín, R. Delaunay, M Alcamf, Patrick Rousseau, Bernd A. Huber, and UAM. Departamento de Química
Subjects: Ionization, History, Photon, Energy flow, Chemistry, Fragmentation dynamics, Química, Condensed matter physics, Quantum chemistry, Electron spectroscopy, Charged particle, Computer Science Applications, Education, Ion, Heavy Particle - Condensed Matter and Large Cluster / Molecule and Small Cluster, Gasphase, Fragmentation (mass spectrometry), Energy transfer, Atomic physics, Excitation
Abstract: We present a combined experimental and theoretical study of the ionisation and fragmentation of the nucleoside thymidine in the gas phase. Two sources of ionisation/excitation are used, namely UV photons and low-energy multiply charged ions, associated with coincidences measurements, respectively photoelec- tron/photofragment (PEPICO) and fragment/fragment. Coupling these experiments with quantum chemistry calculations, we obtain a complete picture of the fragmentation dynamics, in particular the charge and energy transfers within the molecular edifice.
Published: 2015

45. Molecular growth inside of polycyclic aromatic hydrocarbon clusters induced by ion collisions

Author: Delaunay R., Gatchell M., Rousseau P., Domaracka A., MacLot S., Wang Y., Stockett M.H., Chen T., Adoui L., Alcamí M., Martín F., Zettergren H., Cederquist H., Huber B.A.
Published: 2015

46. Charge and energy flows in ionised thymidine

Author: Maclot S., Delaunay R., Piekarski D.G., Domaracka A., Huber B.A., Adoui L., Martin F., Alcamf M., Avaldi L., Bolognesi P., Diaz-Tendero S., Rousseau P.
Published: 2015

47. Fusion reaction dynamics of fullerene molecules

Author: Wang Y., Gatchell M., Zettergren H., Rousseau P., Chen T., Stockett M.H., Domaracka A., Adoui L., Huber B.A., Cederquist H., Alcamí M., Martín F.
Published: 2015

48. N-Acetylglycine Cation Tautomerization Enabled by the Peptide Bond

Author: Kocisek J., Piekarski D.G., Delaunay R., Huber B.A., Adoui L., Martín F., Alcamí M., Rousseau P., Domaracka A., Kopyra J., Díaz-Tendero S.
Published: 2015

49. Molecular dynamics studies of impulse driven reactions in molecules and molecular clusters

Author: Gatchell M., Delaunay R., Stockett M.H., Rousseau P., Domaracka A., Wang Y., Chen T., Adoui L., Alcamí M., Martín F., Schmidt H.T., Hubert B.A., Zettergren H., Cederquist H.
Published: 2015

50. Unusual hydrogen and hydroxyl migration in the fragmentation of excited doubly-positively-charged amino acids in the gas phase

Author: Díaz-Tendero S., Piekarski D.G., Alcamí M., Martín F., Maclot S., Delaunay R., Domaracka A., Rousseau P., Adoui L., Huber B.A.
Published: 2015

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