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1. Cosmic-ray induced sputtering of interstellar formaldehyde ices

Author

Faure, M., Bacmann, A., Faure, A., Quirico, E., Boduch, P., Domaracka, A., and Rothard, H.

Subjects
Astrophysics - Astrophysics of Galaxies
Abstract

H2CO is a ubiquitous molecule in the ISM and in the gas phase of prestellar cores, and is likely present in ice mantles, but its main desorption mechanism is unknown. In this paper our aim is to quantify the desorption efficiency of H2CO upon cosmic-ray impact in order to determine whether cosmic-ray induced sputtering could account for the H2CO abundance observed in prestellar cores. Using a heavy-ion beam as a cosmic-ray analogue at the GANIL accelerator, we irradiated pure H2CO ice films at 10 K under high vacuum conditions and monitored the ice film evolution with infrared spectroscopy and the composition of the sputtered species in the gas phase using mass spectrometry. We derived both the effective and intact sputtering yield of pure H2CO ices. We find that H2CO easily polymerises under heavy-ion irradiation in the ice, and is also radiolysed into CO and CO2. In the gas phase, the dominant sputtered species is CO and intact H2CO is only a minor species. We determine an intact sputtering yield for pure H2CO ices $2.5\times 10^3$ molecules ion$^{-1}$ for an electronic stopping power of $S_e\sim2830$ eV ($10^{15}$ molecules cm$^{-2}$)$^{-1}$. The corresponding cosmic-ray sputtering rate is $\Gamma_\mathrm{CRD}=1.5\times 10^{18}\zeta$ molecules cm$^{-2}$ s$^{-1}$, where $\zeta$ is the rate of cosmic-ray ionisation of molecular hydrogen in the ISM. In the frame of a simple steady-state chemical model of freeze-out and non-thermal desorption, we find that this experimental cosmic-ray sputtering rate is too low (by an order of magnitude) to account for the observed H2CO gas-phase abundance we derived in the prestellar core L1689B. We find however that this abundance can be reproduced if we assume that H2CO diluted in CO or CO2 ices co-desorbs at the same sputtering rate as pure CO or pure CO2 ices., Comment: accepted by Astronomy and Astrophysics. 17 pages, 17 figures. Abridged abstract

Published
2024
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2. Bond breaking and making in mixed clusters of fullerene and coronene molecules following keV-ion impact

Author

Florin, Naemi, Domaracka, Alicja, Rousseau, Patrick, Gatchell, Michael, and Zettergren, Henning

Subjects
Physics - Chemical Physics, Physics - Atomic and Molecular Clusters
Abstract

We have performed classical molecular dynamics simulations of 3 keV Ar + $(\mathrm{C}_{24}\mathrm{H}_{12})_n(\mathrm{C}_{60})_{m}$ collisions where $(n,m)=(3,2), (1,4), (9,4)$ and $(2,11)$. The simulated mass spectra of covalently bound reaction products reproduce the main features of the corresponding experimental results reported by Domaracka et al., PCCP, 2018, 20, 15052. The present results support their conclusion that molecular growth is mainly driven by knockout where individual atoms are promptly removed in Rutherford type scattering processes. The so formed highly reactive fragments may then bind with neighboring molecules in the clusters producing a rich variety of growth products extending up to sizes containing several hundreds of atoms, and here we show examples of such structures. In addition, knocked out atoms may be absorbed such that e.g. hydrogenated coronene and fullerene molecules are formed., Comment: 7 pages, 7 figures

Published
2024

3. Ion beam processing of DNA origami nanostructures

Author

Leo Sala, Agnes Zerolová, Violaine Vizcaino, Alain Mery, Alicja Domaracka, Hermann Rothard, Philippe Boduch, Dominik Pinkas, and Jaroslav Kocišek

Subjects
dna nanotechnology, dna origami, fib, heavy ions, Technology, Chemical technology, TP1-1185, Science, Physics, QC1-999
Abstract

DNA origami nanostructures are emerging as a bottom-up nanopatterning approach. Direct combination of this approach with top-down nanotechnology, such as ion beams, has not been considered because of the soft nature of the DNA material. Here we demonstrate that the shape of 2D DNA origami nanostructures deposited on Si substrates is well preserved upon irradiation by ion beams, modeling ion implantation, lithography, and sputtering conditions. Structural changes in 2D DNA origami nanostructures deposited on Si are analyzed using AFM imaging. The observed effects on DNA origami include structure height decrease or increase upon fast heavy ion irradiation in vacuum and in air, respectively. Slow- and medium-energy heavy ion irradiation results in the cutting of the nanostructures or crater formation with ion-induced damage in the 10 nm range around the primary ion track. In all these cases, the designed shape of the 2D origami nanostructure remains unperturbed. Present stability and nature of damages on DNA origami nanostructures enable fusion of DNA origami advantages such as shape and positioning control into novel ion beam nanofabrication approaches.

Published
2024
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4. Non-thermal desorption of complex organic molecules: Cosmic-ray sputtering of CH3OH embedded in CO2 ice

Author

Dartois, E., Chabot, M., Bacmann, A., Boduch, P., Domaracka, A., and Rothard, H.

Subjects
Astrophysics - Astrophysics of Galaxies
Abstract

Methanol ice is embedded in interstellar ice mantles present in dense molecular clouds. We aim to measure the sputtering efficiencies starting from different ice mantles of varying compositions experimentally, in order to evaluate their potential impact on astrochemical models. The sputtering yields of complex organic molecules is of particular interest, since few mechanisms are efficient enough to induce a significant feedback to the gas phase. We irradiated methanol and carbon dioxide ice mixtures of varying ratios with swift heavy ions in the electronic sputtering regime. We monitored the evolution of the infrared spectra and the species released to the gas phase with a mass spectrometer. Methanol and 13C-methanol isotopologue were used to remove any ambiguity on the measured irradiation products. The sputtering of methanol embedded in carbon dioxide ice is an efficient process leading to the ejection of intact methanol in the gas phase. We establish that when methanol is embedded in a carbon-dioxide-rich mantle exposed to cosmic rays, a significant fraction is sputtered as intact molecules. The sputtered fraction follows the time-dependent bulk composition of the ice mantle, the latter evolving with time due to the radiolysis-induced evolution of the bulk. If methanol is embedded in a carbon dioxide ice matrix, as the analyses of the spectral shape of the CO2 bending mode observations in some lines of sight suggest, the overall methanol sputtering yield is higher than if embedded in a water ice mantle. The sputtering is increased by a factor close to the dominant ice matrix sputtering yield, which is about six times higher for pure carbon dioxide ice when compared to water ice. These experiments are further constraining the cosmic-ray-induced ice mantle sputtering mechanisms important role in the gas-phase release of complex organic molecules from the interstellar solid phase., Comment: arXiv admin note: text overlap with arXiv:1906.03084

Published
2020
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5. Non-thermal desorption of complex organic molecules

Author

Dartois, E., Chabot, M., Barkach, T. Id, Rothard, H., Augé, B., Agnihotri, A. N., Domaracka, A., and Boduch, P.

Subjects
Astrophysics - Astrophysics of Galaxies
Abstract

The occurrence of complex organic molecules (COMs) in the gas phase at low temperature in the dense phases of the ISM suggests that a non-thermal desorption mechanism is at work because otherwise, COMs should condense within a short timescale onto dust grains. Vacuum ultraviolet photodesorption has been shown to be much less efficient for complex organic molecules, such as methanol, because mostly photoproducts are ejected. The induced photolysis competes with photodesorption for large COMs, considerably lowering the efficiency to desorb intact molecules. We investigate the sputtering efficiency of complex organic molecules that are observed either in the ice mantles of interstellar dense clouds directly by infrared spectroscopy (CH3OH), or that are observed in the gas phase by millimeter telescopes (CH3COOCH3) and that could be released from interstellar grain surfaces. We irradiated ice films containing complex organic molecules (methanol and methyl acetate) and water with swift heavy ions in the electronic sputtering regime. We monitored the infrared spectra of the film as well as the species released to the gas phase with a mass spectrometer. We demonstrate that when methanol or methyl acetate is embedded in a water-ice mantle exposed to cosmic rays, a large portion is sputtered as an intact molecule, with a sputtering yield close to that of the main water-ice matrix. This must be even more true for more volatile ice matrices, such as those that are embedded in carbon monoxide. Cosmic rays penetrating deep into dense clouds provide an efficient mechanism to desorb complex organic molecules. Compared to VUV photons induced by the interaction of cosmic rays, a large portion desorb as intact molecules with a proportion corresponding to the time-dependent bulk composition of the ice mantle, the latter evolving with time as a function of fluence due to the radiolysis of the bulk., Comment: Corrected a copy/paste typo in Table 2: The CO2 stretch A value is 7.6d-17 Gerakines et al. (1995), replacing 1.8d-17 D'Hendecourt & Allamandola (1986)

Published
2019

6. Cosmic ray sputtering yield of interstellar H2O ice mantles : Ice mantle thickness dependence

Author

Dartois, E., Chabot, M., Barkach, T. Id, Rothard, H., Augé, B., Agnihotri, A. N., Domaracka, A., and Boduch, P.

Subjects
Astrophysics - Astrophysics of Galaxies
Abstract

Interstellar grain mantles present in dense interstellar clouds are in constant exchange with the gas phase via accretion and desorption mechanisms such as UV, X-ray photodesorption, cosmic ray induced sputtering, grain thermal fluctuations, and chemical reaction energy release. The relative importance of the various desorption mechanisms is of uttermost importance for astrophysical models to constrain the chemical evolution in such high density dense cloud regions. In this experimental work we investigated the sputtering yield as a function of ice mantle thickness, exposed to Xe ions at 95MeV. The ion induced ice phase transformation and the sputtering yield were simultaneously monitored by IR spectroscopy and mass spec- trometry, respectively. The sputtering yield is constant above a characteristic ice layer thickness and starts to decrease below this thickness. An estimate of the sputtering depth corresponding to this length can be evaluated. In these experiments the measured desorption depth corresponds to 30 ice layers. Assuming an effective cylindrical shape for the volume of sputtered molecules, the aspect ratio is close to unity; in the semi-infinite ice film case this ratio is the diameter to height of the cylinder. This result shows that most ejected molecules arise from a rather compact volume. The measured infinite thickness sputtering yield for water ice mantles scales as the square of the ion electronic stopping power (Se). We expect that the desorption depth dependence varies with Se^a , where a=0.5. Astrophysical models should take into account the thickness dependence constraints of these ice mantles in the interface regions when ices are close to their extinction threshold. In the very dense cloud regions, most of the water ice mantles are above this limit for the bulk of the cosmic rays., Comment: 6 pages, 5 figures

Published
2018
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7. Thermal and energetic processing of astrophysical ice analogues rich in SO$_2$

Author

Kanuchova, Z., Boduch, Ph., Domaracka, A., Palumbo, M. E., Rothard, H., and Strazzulla, G.

Subjects
Astrophysics - Instrumentation and Methods for Astrophysics
Abstract

Sulfur is an abundant element in the cosmos and it is thus an important contributor to astrochemistry in the interstellar medium and in the Solar System. Astronomical observations of the gas and of the solid phases in the dense interstellar/circumstellar regions have evidenced that sulfur is underabundant. The hypothesis to explain such a circumstance is that it is incorporated in some species in the solid phase (i.e. as frozen gases and/or refractory solids) and/or in the gas phase, which for different reasons have not been observed so far. Here we wish to give a contribution to the field by studying the chemistry induced by thermal and energetic processing of frozen mixtures of sulfur dioxide (one of the most abundant sulfur-bearing molecules observed so far) and water. We present the results of a series of laboratory experiments concerning thermal processing of different H2O:SO2 mixtures and ion bombardment 30 keV He$^+$ of the same mixtures. We used in situ FTIR spectroscopy to investigate the induced effects. The results indicate that ionic species such as HSO$_{3}^{-}$, HSO$_{4}^{-}$, and S$_2$O$_{5}^{2-}$ are easily produced. Energetic processing also produces SO$_3$ polymers and a sulfurous refractory residue. The produced ionic species exhibit spectral features in a region that, in astronomical spectra of dense molecular clouds, is dominated by strong silicate absorption. However, such a dominant feature is associated with some spectral features, some of which have not yet been identified. We suggest adding the sulfur-bearing ionic species to the list of candidates to help explain some of those features.

Published
2017
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8. Ion-Induced Molecular Growth in Clusters of Small Hydrocarbon Chains

Author

Gatchell, Michael, Delaunay, Rudy, D'Angelo, Giovanna, Mika, Arkadiusz, Kulyk, Kostiantyn, Domaracka, Alicja, Rousseau, Patrick, Zettergren, Henning, Huber, Bernd A., and Cederquist, Henrik

Subjects
Physics - Atomic and Molecular Clusters
Abstract

We report on studies of collisions between 3 keV Ar$^+$ projectile ions and neutral targets of isolated 1,3-butadiene (C$_4$H$_6$) molecules and cold, loosely bound clusters of these molecules. We identify molecular growth processes within the molecular clusters that appears to be driven by knockout processes and that could result in the formation of (aromatic) ring structures. These types of reactions are not unique to specific projectile ions and target molecules, but will occur whenever atoms or ions with suitable masses and kinetic energies collide with aggregates of matter, such as carbonaceous grains in the interstellar medium or aerosol nanoparticles in the atmosphere., Comment: 8 pages, 6 figures, Accepted for publication in Physical Chemistry Chemical Physics 2017

Published
2017
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9. Sulfur Implantation into Water Ice with Propane: Implications for Organic Chemistry on the Surface of Europa

Author

Alexis Bouquet, Cíntia Aparecida Pires da Costa, Philippe Boduch, Hermann Rothard, Alicja Domaracka, Grégoire Danger, Isabelle Schmitz, Carlos Afonso, Philippe Schmitt-Kopplin, Vincent Hue, Tom A. Nordheim, Alexander Ruf, Fabrice Duvernay, Maryse Napoleoni, Nozair Khawaja, Frank Postberg, Thomas Javelle, Olivier Mousis, and Laura Isabel Tenelanda Osorio

Subjects
Astrochemistry, Radiation interactions (Ice), Europa, Galilean satellites, Astronomy, QB1-991
Abstract

We performed experiments of implantation of energetic sulfur ions (105 keV) into 2:1 water:propane ices at 80 K and analyzed the resulting refractory organic matter with ultrahigh-resolution mass spectrometry. Our goal was to characterize the organic matter processed in the surface conditions of Europa, where it would receive a heavy flux of energetic particles, including sulfur ions, and determine whether organosulfurs could be formed in these conditions, using the simplest alkane that can exist in solid form on Europa’s surface. We find that the produced organic matter contains a large variety of both aliphatic and aromatic compounds (several thousand unique formulae), including polycyclic aromatic hydrocarbons (PAHs), with masses up to 900 amu. A large number of aromatic hydrocarbons is found along with oxygenated, mostly aliphatic, compounds. Organosulfurs are found in both CHS and CHOS form, demonstrating they can be formed from any organic compound through sulfur implantation. These organosulfurs’ properties (aromaticity, mass) appear similar to the rest of the organic matter, albeit their low quantity does not allow for a thorough comparison. Our results have implications for the type of refractory organic matter that could be observed by the JUICE and Europa Clipper space missions and how the surface of Europa could generate complex organics, including PAHs and organosulfurs, that could then enrich the subsurface ocean. In particular, they indicate that a large diversity of organic matter, including organosulfurs, can be formed from simple precursors in a geologically short time frame under the ion flux that reaches Europa.

Published
2024
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10. A Comparison and Development of Municipal Waste Management in Three Countries, Slovakia, the Czech Republic and Poland, with an Emphasis on the Slovak Republic

Author

Lucia Domaracka, Simona Matuskova, Marcela Tausova, Barbara Kowal, and Katarina Culkova

Subjects
municipal waste, recycling rate, waste production, Engineering machinery, tools, and implements, TA213-215
Abstract

In this paper, we compare the development and possibilities for improvement of waste management in three countries: Slovakia, the Czech Republic, and Poland. Waste management is part of the circular economy. The circular economy is the basis for waste management today. This applies to municipal waste management, too. In this paper, we work with data available in the Eurostat database. We mainly deal with municipal waste in the three chosen countries. The output of this paper is an assessment of indicators such as recycling rates and waste production. The outputs are documented graphically.

Published
2023
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11. Heavy ion irradiation of crystalline water ice

Author

Dartois, E., Augé, B., Boduch, P., Brunetto, R., Chabot, M., Domaracka, A., Ding, J. J., Kamalou, O., Lv, X. Y., Rothard, H., da Silveira, E. F., and Thomas, J. C.

Subjects
Astrophysics - Astrophysics of Galaxies, Astrophysics - Earth and Planetary Astrophysics
Abstract

Under cosmic irradiation, the interstellar water ice mantles evolve towards a compact amorphous state. Crystalline ice amorphisation was previously monitored mainly in the keV to hundreds of keV ion energies. We experimentally investigate heavy ion irradiation amorphisation of crystalline ice, at high energies closer to true cosmic rays, and explore the water-ice sputtering yield. We irradiated thin crystalline ice films with MeV to GeV swift ion beams, produced at the GANIL accelerator. The ice infrared spectral evolution as a function of fluence is monitored with in-situ infrared spectroscopy (induced amorphisation of the initial crystalline state into a compact amorphous phase). The crystalline ice amorphisation cross-section is measured in the high electronic stopping-power range for different temperatures. At large fluence, the ice sputtering is measured on the infrared spectra, and the fitted sputtering-yield dependence, combined with previous measurements, is quadratic over three decades of electronic stopping power. The final state of cosmic ray irradiation for porous amorphous and crystalline ice, as monitored by infrared spectroscopy, is the same, but with a large difference in cross-section, hence in time scale in an astrophysical context. The cosmic ray water-ice sputtering rates compete with the UV photodesorption yields reported in the literature. The prevalence of direct cosmic ray sputtering over cosmic-ray induced photons photodesorption may be particularly true for ices strongly bonded to the ice mantles surfaces, such as hydrogen-bonded ice structures or more generally the so-called polar ices., Comment: 22pages, 11 figures, accepted in A&A

Published
2015
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14. Comparison of UV and high-energy ion irradiation of methanol:ammonia ice

Author

Caro, G. M. Munoz, Dartois, E., Boduch, P., Rothard, H., Domaracka, A., and Jimenez-Escobar, A.

Subjects
Astrophysics - Solar and Stellar Astrophysics, Astrophysics - Earth and Planetary Astrophysics
Abstract

The main goal of this work is to compare the effects induced in ices of astrophysical relevance by high-energy ions, simulating cosmic rays, and by vacuum ultraviolet (UV) photons. This comparison relies on in situ infrared spectroscopy of irradiated CH3OH:NH3 ice. Swift heavy ions were provided by the GANIL accelerator. The source of UV was a microwave-stimulated hydrogen flow discharge lamp. The deposited energy doses were similar for ion beams and UV photons to allow a direct comparison. A variety of organic species was detected during irradiation and later during ice warm-up. These products are common to ion and UV irradiation for doses up to a few tens of eV per molecule. Only the relative abundance of the CO product, after ice irradiation, was clearly higher in the ion irradiation experiments. For some ice mixture compositions, the irradiation products formed depend only weakly on the type of irradiation, swift heavy ions, or UV photons. This simplifies the chemical modeling of energetic ice processing in space., Comment: 9 pages, 9 figures, 2 tables, accepted in A&A

Published
2014
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15. Polypeptide formation in clusters of β-alanine amino acids by single ion impact

Author

Patrick Rousseau, Dariusz G. Piekarski, Michael Capron, Alicja Domaracka, Lamri Adoui, Fernando Martín, Manuel Alcamí, Sergio Díaz-Tendero, and Bernd A. Huber

Subjects
Science
Abstract

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
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16. Formation of unsaturated hydrocarbons in interstellar ice analogs by cosmic rays

Author

Pilling, S., Andrade, D. P. P., da Silveira, E. F., Rothard, H., Domaracka, A., and Boduch, P.

Subjects
Astrophysics - Astrophysics of Galaxies, Astrophysics - Instrumentation and Methods for Astrophysics, Physics - Chemical Physics
Abstract

The formation of double and triple C-C bonds from the processing of pure c-C6H12 (cyclohexane) and mixed H2O:NH3:c-C6H12 (1:0.3:0.7) ices by highly-charged, and energetic ions (219 MeV O^{7+} and 632 MeV 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 accelerator GANIL (Grand Accel\'erat\'eur National d'Ions Lourds) in 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. Dissociation cross section of cyclohexane and its half-life in astrophysical environments were determined. A comparison between spectra of bombarded ices and young stellar sources indicates that the initial composition of grains in theses environments 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 products, 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 production of unsaturated hydrocarbons and possibly aromatic rings (via dehydrogenation processes) in interstellar ices induced by cosmic ray bombardment., Comment: 14 pages, 10 figures, 4 tables. Accepted to be published in MNRAS

Published
2012
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17. Radiolysis of H2O:CO2 ices by heavy energetic cosmic ray analogs

Author

Pilling, S., Duarte, E. Seperuelo, Domaracka, A., Rothard, H., Boduch, P., and da Silveira, E. F.

Subjects
Astrophysics - High Energy Astrophysical Phenomena
Abstract

An experimental study on the interaction of heavy, highly charged, and energetic ions (52 MeV Ni^13+) with pure H2O, pure CO2 and mixed H2O:CO2 astrophysical ice analogs is presented. This analysis aims to simulate the chemical and the physicochemical interactions induced by heavy cosmic rays inside dense and cold astrophysical environments such as molecular clouds or protostellar clouds. The measurements were performed at the heavy ion accelerator GANIL (Grand Accelerateur National d'Ions Lourds in Caen, France). The gas samples were deposited onto a CsI substrate at 13 K. In-situ analysis was performed by a Fourier transform infrared (FTIR) spectrometer at different fluences. Radiolysis yields of the produced species were quantified. The dissociation cross sections of pure H2O and CO2 ices are 1.1 and 1.9E-13 cm^2, respectively. In the case of mixed H2O:CO2 (10:1) the dissociation cross sections of both species are about 1E-13 cm^2. The measured sputtering yield of pure CO2 ice is 2.2E4 molec/ion. After a fluence of 2-3E12 ions/cm^2 the CO2/CO ratio becomes roughly constant (~0.1), independent of the of initial CO2/H2O ratio. A similar behavior is observed for the H2O2/H2O ratio which stabilizes at 0.01, independent of the initial H2O column density or relative abundance., Comment: 13 pages, 9 figures, 4 tables. Accepted to be published in Astronomy and Astrophysics

Published
2010
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18. Radiolysis of ammonia-containing ices by energetic, heavy and highly charged ions inside dense astrophysical environments

Author

Pilling, S., Duarte, E. Seperuelo, da Silveira, E. F., Balanzat, E., Rothard, H., Domaracka, A., and Boduch, P.

Subjects
Astrophysics - Instrumentation and Methods for Astrophysics, Astrophysics - High Energy Astrophysical Phenomena
Abstract

Deeply inside dense molecular clouds and protostellar disks, the interstellar ices are protected from stellar energetic UV photons. However, X-rays and energetic cosmic rays can penetrate inside these regions triggering chemical reactions, molecular dissociation and evaporation processes. We present experimental studies on the interaction of heavy, highly charged and energetic ions (46 MeV Ni^13+) with ammonia-containing ices in an attempt to simulate the physical chemistry induced by heavy ion cosmic rays inside dense astrophysical environments. The measurements were performed inside a high vacuum chamber coupled to the heavy ion accelerator GANIL (Grand Accelerateur National d'Ions Lourds) in Caen, France.\textit{In-situ} analysis is performed by a Fourier transform infrared spectrometer (FTIR) at different fluences. The averaged values for the dissociation cross section of water, ammonia and carbon monoxide due to heavy cosmic ray ion analogs are ~2x10^{-13}, 1.4x10^{-13} and 1.9x10^{-13} cm$^2$, respectively. In the presence of a typical heavy cosmic ray field, the estimated half life for the studied species is 2-3x10^6 years. The ice compaction (micropore collapse) due to heavy cosmic rays seems to be at least 3 orders of magnitude higher than the one promoted by (0.8 MeV) protons . In the case of the irradiated H2O:NH3:CO ice, the infrared spectrum at room temperature reveals five bands that were tentatively assigned to vibration modes of the zwitterionic glycine (+NH3CH2COO-)., Comment: Accepted to be published in Astronomy and Astrophysics; Number of pages: 12; Number of Figures: 7; Number of Tables: 5

Published
2009
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19. 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
COVID-19, pandemic, mining sector, initiatives and adaptation measures, economic situation, Technology
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
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20. Lights and shadows of NSAIDs in bone healing: the role of prostaglandins in bone metabolism

Author

Lisowska B, Kosson D, and Domaracka K

Subjects
bone cells and metabolism, COX, prostaglandines, Therapeutics. Pharmacology, RM1-950
Abstract

Barbara Lisowska,1 Dariusz Kosson,2 Karolina Domaracka3 1Department of Anesthesiology and Intensive Care, John Paul II Western Hospital in Grodzisk Mazowiecki, Grodzisk Mazowiecki, Poland; 2Division of Teaching, Department of Anaesthesiology and Intensive Care, Medical University of Warsaw, Warsaw, Poland; 3Department of Anaesthesiology and Intensive Care, Medical University of Warsaw, Warsaw, Poland 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. Keywords: bone cells and metabolism, COX, prostaglandins

Published
2018

21. Positives and negatives of nonsteroidal anti-inflammatory drugs in bone healing: the effects of these drugs on bone repair

Author

Lisowska B, Kosson D, and Domaracka K

Subjects
bone healing, NSAIDs, negative, positive effect, Therapeutics. Pharmacology, RM1-950
Abstract

Barbara Lisowska,1 Dariusz Kosson,2 Karolina Domaracka3 1Department of Anesthesiology and Intensive Care, John Paul II Western Hospital, Grodzisk Mazowiecki, Poland; 2Department of Anaesthesiology and Intensive Care, Medical University of Warsaw, Division of Teaching Warsaw, Warsaw, Poland; 3Department of Anaesthesiology and Intensive Care, Medical University of Warsaw, Warsaw, Poland Abstract: Tissue damage following injury triggers the processes of coagulation, inflammation and healing. In tissues surrounding the bone, the result of the healing process is a scar, while bone tissue has a unique ability to achieve shape, strength and pre-injury function. Bone healing is a process of regeneration rather than classic recovery. The result of this process is the formation of new, healthy bone tissue instead of a scar. Many factors can inhibit or impair the bone healing process, and their influence is critical during the stages of inflammation and angiogenesis and finally on the clinical outcome. Nonsteroidal anti-inflammatory drugs (NSAIDs) play an essential role associated with their analgesic potency and anti-inflammatory effects. NSAIDs are also the most often used drugs in patients who require pain control and inflammation reduction due to musculoskeletal diseases or injures. Although their analgesic effect is well documented, NSAIDs also interfere with bone healing; therefore, the relative benefits and disadvantages connected with their administration should be taken into consideration. Despite the negative effect, NSAIDs have beneficial properties, but their clinical benefits in relation to dose and time of use are still unclear. Therefore, in this review, we focus on bone healing with relation to the impact of NSAIDs. Keywords: bone healing, NSAIDs, negative, positive effect

Published
2018

24. A study of the valence photoelectron spectrum of uracil and mixed water-uracil clusters

Author

Giuseppe Mattioli, Lorenzo Avaldi, Paola Bolognesi, Annarita Casavola, Filippo Morini, Thomas Van Caekenberghe, John D. Bozek, Mattea C. Castrovilli, Jacopo Chiarinelli, Alicja Domaracka, Suvasthika Indrajith, Sylvain Maclot, Aleksandar R. Milosavljević, Chiara Nicolafrancesco, Christophe Nicolas, Patrick Rousseau, Morini, Filippo/0000-0001-9293-5791, Mattioli, Giuseppe, Avaldi, Lorenzo, Bolognesi, Paola, Casavola, Annarita, MORINI, Filippo, Van Caekenberghe, Thomas, Bozek, John D., Castrovilli, Mattea C., Chiarinelli, Jacopo, Domaracka, Alicja, Indrajith, Suvasthika, Maclot, Sylvain, Milosavljevic, Aleksandar R., Nicolafrancesco, Chiara, Nicolas, Christophe, Rousseau, Patrick, Istituto di Struttura della Materia (CNR-ISM), National Research Council of Italy | Consiglio Nazionale delle Ricerche (CNR), Hasselt University (UHasselt), Synchrotron SOLEIL (SSOLEIL), Centre National de la Recherche Scientifique (CNRS), 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), Matériaux, Défauts et IRradiations (MADIR), Institut Lumière Matière [Villeurbanne] (ILM), Université Claude Bernard Lyon 1 (UCBL), and Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)

Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, General Physics and Astronomy, Physical and Theoretical Chemistry
Abstract

The valence ionization of uracil and mixed water-uracil clusters has been studied experimentally and by ab initio calculations. In both measurements, the spectrum onset shows a red shift with respect to the uracil molecule, with the mixed cluster characterized by peculiar features unexplained by the sum of independent contributions of the water or uracil aggregation. To interpret and assign all the contributions, we performed a series of multi-level calculations, starting from an exploration of several cluster structures using automated conformer-search algorithms based on a tight-binding approach. Ionization energies have been assessed on smaller clusters via a comparison between accurate wavefunction-based approaches and cost-effective DFT-based simulations, the latter of which were applied to clusters up to 12 uracil and 36 water molecules. The results confirm that (i) the bottom-up approach based on a multilevel method [Mattioli et al. Phys. Chem. Chem. Phys. 23, 1859 (2021)] to the structure of neutral clusters of unknown experimental composition converges to precise structure-property relationships and (ii) the coexistence of pure and mixed clusters in the water-uracil samples. A natural bond orbital (NBO) analysis performed on a subset of clusters highlighted the special role of H-bonds in the formation of the aggregates. The NBO analysis yields second-order perturbative energy between the H-bond donor and acceptor orbitals correlated with the calculated ionization energies. This sheds light on the role of the oxygen lone-pairs of the uracil CO group in the formation of strong H-bonds, with a stronger directionality in mixed clusters, giving a quantitative explanation for the formation of core-shell structures. This article is based upon work from COST Action CA18212—Molecular Dynamics in the GAS phase (MD-GAS) supported by COST (European Cooperation in Science and Technology), and it was partially supported by the CNRS PICS Project BIFACE, the International Associated Laboratory “DYNAMO,” and the PRIN 20173B72NB “Predicting and controlling the fate of bio-molecules driven by extreme-ultraviolet radiation”. C.N. is co-funded by Région Normandie and Synchrotron SOLEIL. SOLEIL support is acknowledged under Project No. 20171346. A.C. acknowledges the access to the CINECA supercomputer facility via the ISCRA C HP10C652JX Grant. F.M. and T.V.C. acknowledge the VSC (Flemish Supercomputer Center), funded by the Research Foundation-Flanders (FWO) and the Flemish Government.

Published
2023
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25. A Comparison and Development of Municipal Waste Management in Three Countries, Slovakia, the Czech Republic and Poland, with an Emphasis on the Slovak Republic †.

Author

Domaracka, Lucia, Matuskova, Simona, Tausova, Marcela, Kowal, Barbara, and Culkova, Katarina

Subjects
MUNICIPAL solid waste incinerator residues, WASTE management, CIRCULAR economy
Abstract

In this paper, we compare the development and possibilities for improvement of waste management in three countries: Slovakia, the Czech Republic, and Poland. Waste management is part of the circular economy. The circular economy is the basis for waste management today. This applies to municipal waste management, too. In this paper, we work with data available in the Eurostat database. We mainly deal with municipal waste in the three chosen countries. The output of this paper is an assessment of indicators such as recycling rates and waste production. The outputs are documented graphically. [ABSTRACT FROM AUTHOR]

Published
2023
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26. Formation of N–O–H bearing species in HNO3 and H2O icy samples by heavy-ion irradiation: an infrared spectroscopic study.

Author

de Barros, A L F, Bergantini, A, da Silveira, E F, Tozetti, S D, Rothard, H, Boduch, P, and Domaracka, A

Subjects
HEAVY ion accelerators, INFRARED spectroscopy, ION beams, NITROUS acid, INTERSTELLAR medium
Abstract

This article investigates the radiolysis of a mixture of nitric acid with water (HNO3:H2O) at 16 K in high-vacuum (residual pressure < 10−6 mbar). A nitric acid-water ice film was exposed to 40 MeV 58Ni11+ ion beam in a heavy ion accelerator facility in France. For this astrochemically- and atmospherically-relevant ice mixture of nitric acid and water, we analyze the possible formation and destruction processes of N–O bearing species, thus providing spectroscopic data in the infrared (IR) region for theoretical, laboratory and observational future studies. The irradiation synthetized 18 species which were posteriorly examined by infrared spectroscopy: N2O, NH3, NO, NO2 and H x N y O z molecules, such as hidroxylamine (NH2OH), nitrous acid (HONO) as well as other species with bonding N–O, N–H and H–O–N converting surface-adsorbed nitrogen oxides into astrochemically active NO x. The interaction of HNO3 and H2O originates H–N–O molecular complexes, which were investigated as particular cases of the hydrogen-bonded species formed by a more electronegative atom (N or O) interacts intra or intermolecularly with a donor atom (N or O) and observed in the interstellar medium with higher quantities or great abundances. The HNO3 and H2O destruction cross sections have been determined to be 8.5 × 10−13 and 1.2 × 10−13 cm2, respectively, for the mentioned experimental conditions. [ABSTRACT FROM AUTHOR]

Published
2023
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28. 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
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29. 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
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33. Efficient Use of Critical Raw Materials for Optimal Resource Management in EU Countries

Author

Lucia Domaracka, Simona Matuskova, Marcela Tausova, Andrea Senova, and Barbara Kowal

Subjects
raw material, gross domestic product, Renewable Energy, Sustainability and the Environment, SAS JMP software, Geography, Planning and Development, critical raw material, resources, Management, Monitoring, Policy and Law
Abstract

The European Commission has established a Critical Raw Materials List (CRM) for the European Union (EU), which is subject to regular review and updating. CRMs are needed in many key industries such as automotive, steel, aerospace, renewable energy, etc. To address this issue, we studied publicly available data from databases developed by the EU for monitoring the progress of individual countries in key areas for the development of society. The paper analyzes indicators of import reliance, net additions to stock, domestic material consumption (DMC), resource productivity, and circular material use rate. Prospective products and technologies, in electromobility, digitalization, Industry 4.0, and energy transformation, are changing and increasing the demand for raw materials. The aim of this article is to look at the ways forward in order to use critical raw materials as efficiently as possible while at the same time ensuring the optimal economy of the countries. From the sources and databases of data available for the EU, we analyzed a number of variables and suggested options for future developments in the efficient use of critical raw materials. We defined what we believed to be the optimal management means in relation to critical raw materials and worked backwards to find a path to efficient use of critical raw materials. Web of Science 14 11 art. no. 6554

Published
2022
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35. Chemical reactions in H2O:CO interstellar ice analogs promoted by energetic heavy ion irradiation

Author

A L F de Barros, C Mejía, E Seperuelo Duarte, A Domaracka, P Boduch, H Rothard, 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
methods and techniques, FTIR -Cosmic rays -interstellar Medium (ISM) -Trans Neptunian Objects, Space and Planetary Science, Astronomy and Astrophysics, [PHYS.ASTR]Physics [physics]/Astrophysics [astro-ph], astrochemistry -methods: laboratory:solid state -astronomical instrumentation
Abstract

H2O:CO, at concentrations of (3:2) and (10:1), was condensed on CsI substrate at 15 K and irradiated with 46-MeV 58Ni11 + ion beam. Radiolysis induced by fast heavy ions was analyzed by infrared spectroscopy (FTIR). The formation of nine molecular species: CO2, H2O2, HCOOH, HCO, H2CO, 13CO2, CH3OH, O3, and C3O2 was observed. For both concentrations, carbon dioxide (CO2), formaldehyde (H2CO), formic acid (HCOOH), and hydrogen peroxide (H2O2) are the most abundant products species, and tricarbon dioxide (C3O2) is much less abundant. Precursor destruction cross-sections and formation cross-sections of products are determined. The CO destruction cross-section for the (3:2) concentration is almost five times higher than that of water, while those for the (10:1) concentration are practically the same. Atomic sputtering yields are estimated for the two ice films, the total mass sputtered is approximately 2.5 × 106 u per impact. These results contribute to figure out the chemical pathways of compounds synthesized from the two most abundant organic species (H2O and CO) observed in the ices of grain mantles of the circumstellar envelopes and interstellar medium. In additional, the finding results reveal that molecular astronomical percentages are comparable to those obtained after 15 eV molec−1 of deposited dose in current experiments compared with the relative concentration of molecules in solid phase observed in MYSO, LYSO, BG Stars, and Comets.

Published
2022
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36. 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
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38. Chemical reactions in H2O:CO interstellar ice analogs promoted by energetic heavy ion irradiation

Author

Barros, Ana, Mejia Guaman, Christian Fernando, Seperuelo Duarte, Eduardo, Domaracka, Alicja, Boduch, Philippe, Rothard, Hermann, Da Silveira, Enio Frota, Barros, Ana, Mejia Guaman, Christian Fernando, Seperuelo Duarte, Eduardo, Domaracka, Alicja, Boduch, Philippe, Rothard, Hermann, and Da Silveira, Enio Frota

Abstract

H2O:CO, at concentrations of (3:2) and (10:1), was condensed on CsI substrate at 15 K and irradiated with 46 MeV 58Ni11 + ion beam. Radiolysis induced by fast heavy ions was analyzed by infrared spectroscopy (FTIR). The formation of nine molecular species, CO2, H2O2, HCOOH, HCO, H2CO, 13CO2, CH3OH, O3 and C3O2 was observed. For both concentrations, carbon dioxide (CO2), formaldehyde (H2CO), formic acid (HCOOH), and hydrogen peroxide (H2O2) are the most abundant products species, and tricarbon dioxide (C3O2) is much less abundant. Precursor destruction cross sections and formation cross sections of products are determined. The CO destruction cross section for the (3:2) concentration is almost five times higher than that of water, while those for the (10:1) concentration are practically the same. Atomic sputtering yields are estimated for the two ice films, the total mass sputtered is approximately 2.5 × 106 u per impact. These results contribute to figure out the chemical pathways of compounds synthesized from the two most abundant organic species (H2O and CO) observed in the ices of grain mantles of the circumstellar envelopes and interstellar medium. In additional, the finding results reveal that molecular astronomical percentages are comparable to those obtained after 15 eV molec−1 of deposited dose in current experiments compared with the relative concentration of molecules in solid phase observed in MYSO, LYSO, BG Stars, and Comets.

Published
2022

39. 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
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41. Decomposition of the CO stretching vibration band of laboratory H2O-CO ices irradiated by heavy ions

Author

Hermann Rothard, E. F. da Silveira, A. L. F. de Barros, Alicja Domaracka, Ph. Boduch, E. Seperuelo Duarte, Instituto Federal de Educação, Ciência e Tecnologia do Rio de Janeiro, Centro Federal de Educação Tecnológica Celso Suckow da Fonseca (Rio de Janeiro) ( CEFET/RJ), Pontifical Catholic University of Rio de Janeiro (PUC), 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), Matériaux, Défauts et IRradiations (MADIR), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Université de Caen Normandie (UNICAEN), and Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)

Subjects
Physics, [PHYS]Physics [physics], 010504 meteorology & atmospheric sciences, solid state -ISM, 010308 nuclear & particles physics, molecules -infrared, Analytical chemistry, Astronomy and Astrophysics, Ice mantles, 01 natural sciences, Decomposition, Ion, Vibration, astrochemistry -solid state, 13. Climate action, Space and Planetary Science, general, 0103 physical sciences, Irradiation, volatile -methods, laboratory, ISM, 0105 earth and related environmental sciences
Abstract

H2O and CO molecules are the main constituents of the interstellar dust grain ice mantles. Infrared spectra of the ices in line of sights of young stellar objects and background stars have shown that the CO stretching vibration band can be decomposed into three main components: 2143, 2139 and 2136 cm−1, assigned to CO in different environment sites. The relative strengths between the components have been associated to an evolutionary track of the interstellar molecular clouds. H2O:CO (3:2) and (10:1) ices samples were irradiated by 0.79 MeV/u 58Ni13 + ions to simulate the effects produced by heavy ion cosmic rays in typical interstellar ices mixtures. The CO stretching vibration band is decomposed into six Gaussians functions (2150, 2144, 2141, 2138, 2136 and 2133 cm−1) and their integrated absorbances were measured as a function of fluence. The results have shown that, at the final fluence, the component 2138 cm−1 is the main component of the CO stretching vibration band. The component 2150 cm−1 disappears at the beginning of irradiation. Based on the present and previous results, a time scale for the components in the interstellar ices is proposed. For H2O:CO ice in the ISM it is predicted that, after 1 Myrs, the main components of the CO stretching vibration band are the 2138 cm−1 and 2141 cm−1, due to the CO monomers and dimers, respectively.

Published
2021
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44. Timing of charge migration in betaine by impact of fast atomic ions

Author

Rousseau, Patrick, primary, González-Vázquez, Jesús, additional, Piekarski, Dariusz G., additional, Kopyra, Janina, additional, Domaracka, Alicja, additional, Alcamí, Manuel, additional, Adoui, Lamri, additional, Huber, Bernd A., additional, Díaz-Tendero, Sergio, additional, and Martín, Fernando, additional

Published
2021
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45. Radiolysis of pyridine in solid water

Author

Philippe Boduch, Alicja Domaracka, Prudence C. J. Ada Bibang, Hermann Rothard, Aditya N. Agnihotri, Zuzana Kanuchova, 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), Astronomical Institute of the Slovak Academy of Sciences, Slovak Academy of Science [Bratislava] (SAS), 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
Materials science, Infrared spectroscopy, 010402 general chemistry, 01 natural sciences, Atomic and Molecular Physics, and Optics, 0104 chemical sciences, chemistry.chemical_compound, chemistry, 13. Climate action, Phase (matter), 0103 physical sciences, Pyridine, Radiolysis, Water environment, Physical chemistry, Molecule, Irradiation, Spectroscopy, 010303 astronomy & astrophysics, [CHIM.RADIO]Chemical Sciences/Radiochemistry
Abstract

We irradiated the complex organic molecule pyridine and mixtures of pyridine and water in the solid phase (thin icy films) at 12 K at different beam lines of the GANIL facility (ARIBE: 90 keV $$\hbox {O}^{\mathrm {6+}}$$ , SME: $$650\, \hbox {MeV Zn}^{\mathrm {26+}})$$ . The destruction of the initial molecule and the appearance of radiolytic products were followed by in-situ infrared absorption spectroscopy as a function of the projectile fluence with the CASIMIR experimental set-up of CIMAP. We measured the destruction cross section as a function of pyridine concentration. A clear dependence on the percentage of pyridine in $$\hbox {H}_{\mathrm {2}}\hbox {O}$$ was found: the destruction cross sections are significantly higher for small concentration, i.e. pure pyridine is more radioresistant than pyridine diluted in water ice at 12 K. Thus, the presence of water environment significantly modifies the radiation resistance of the initial complex organic molecules: it enhances radiosensitivity and destruction of pyridine, with implications for radiobiology and astrochemistry.

Published
2021
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47. 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
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48. 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

49. Roadmap on dynamics of molecules and clusters in the gas phase

Author

Claire Romanzin, Alicja Domaracka, S. D. Tošić, Michael Gatchell, Jaroslav Kočišek, Simon Albertini, Mattea Carmen Castrovilli, Steen Brøndsted Nielsen, Ewa Erdmann, Janina Kopyra, Sylvain Maclot, Daniela Ascenzi, Amanda L. Steber, Klavs Hansen, Marta Łabuda, Christophe Jouvet, Lars H. Andersen, Dariusz G. Piekarski, Manuel Alcamí, Alicia Palacios, Sergio Díaz-Tendero, Henrik Cederquist, Elisabeth Gruber, Lorenzo Avaldi, Paola Bolognesi, Per Johnsson, Yoni Toker, Shirin Faraji, Oded Heber, Annemieke Petrignani, Christina Kjær, A. Candian, Aleksandar R. Milosavljević, Jennifer A. Noble, Paulo Limão-Vieira, Patrick Rousseau, Henning T. Schmidt, Eduardo Carrascosa, Juraj Fedor, Denis S. Tikhonov, Thomas Schlathölter, James N. Bull, Sadia Bari, Henning Zettergren, Department of Physics [Stockholm], Stockholm University, 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), Zernike Institute for Advanced Materials, University of Groningen [Groningen], Istituto di Struttura della Materia (CNR-ISM), National Research Council of Italy | Consiglio Nazionale delle Ricerche (CNR), Departamento de Química, Módulo 13, Universidad Autónoma de Madrid, 28049 Madrid (Spain), Department of Theoretical Physics and Quantum Information (DTPQI), ‎ Gdansk University of technology, Institute of Physics [Belgrade], University of Belgrade [Belgrade], Department of Physics (Göthenburg), University of Gothenburg (GU), Department of Physics, Mathematical Physics [Lund], Lund University [Lund], Deutsches Elektronen-Synchrotron [Hamburg] (DESY), Synchrotron SOLEIL (SSOLEIL), Centre National de la Recherche Scientifique (CNRS), Departamento de Química, Modulo 13, Universidad Autónoma de Madrid, Universidad Autónoma de Madrid (UAM), Institute of Physical Chemistry [Warsaw], Polish Academy of Sciences, Department III, Normandie Université (NU), Department of Physics (DPUT), University of Trento [Trento], Institut de Chimie Physique (ICP), Institut de Chimie du CNRS (INC)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS), Siedlce University of Natural Sciences and Humanities, Centro de Física e Investigação Tecnológica [Lisboa] (CEFITEC), Departamento de Fìsica [Lisboa] (DF), Faculdade de Ciências e Tecnologia = School of Science & Technology (FCT NOVA), Universidade Nova de Lisboa = NOVA University Lisbon (NOVA)-Universidade Nova de Lisboa = NOVA University Lisbon (NOVA)-Faculdade de Ciências e Tecnologia = School of Science & Technology (FCT NOVA), Universidade Nova de Lisboa = NOVA University Lisbon (NOVA)-Universidade Nova de Lisboa = NOVA University Lisbon (NOVA), J. Heyrovský Institute of Physical Chemistry of the ASCR, Czech Academy of Sciences [Prague] (CAS), Institut für Ionenphysik und Angewandte Physik - Institute for Ion Physics and Applied Physics [Innsbruck], Leopold Franzens Universität Innsbruck - University of Innsbruck, Department of Physics and Astronomy [Aarhus], Aarhus University [Aarhus], Department of Particle Physics, Weizmann Institute of Science, Ajo, Bar-Ilan University [Israël], Tianjin University of Science and Technology (TUST), Physique des interactions ioniques et moléculaires (PIIM), Aix Marseille Université (AMU)-Centre National de la Recherche Scientifique (CNRS), Ecole Polytechnique Fédérale de Lausanne (EPFL), University of East Anglia [Norwich] (UEA), van ‘t Hoff Institute for Molecular Sciences, Universiteit van Amsterdam (UvA), DF – Departamento de Física, CeFITec – Centro de Física e Investigação Tecnológica, UAM. Departamento de Química, Molecular Processes Modeling Group, 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), Consiglio Nazionale delle Ricerche [Roma] (CNR), Universidad Autonoma de Madrid (UAM), School of Chemistry, University of East Anglia, Norwich Research Park, Norwich NR4 7TJ, United Kingdom, Van't Hoff Institute for Molecular Sciences, University of Amsterdam [Amsterdam] (UvA), 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)-Aix Marseille Université (AMU), Quantum interactions and structural dynamics, and Theoretical Chemistry

Subjects
ab-initio, Astrochemistry, cold ion spectroscopy, COLD ION SPECTROSCOPY, storage-ring, Clusters in the Gas Phase, Nanotechnology, 02 engineering and technology, Physics, Atomic, Molecular & Chemical, 010402 general chemistry, 01 natural sciences, Gas phase, POLYCYCLIC AROMATIC-HYDROCARBONS, resolved photoelectron-spectroscopy, fragmentation dynamics, Molecule, ddc:530, STORAGE-RING, THERMIONIC EMISSION, AB-INITIO, Physics, polycyclic aromatic-hydrocarbons, Science & Technology, low-energy electrons, LOW-ENERGY ELECTRONS, FRAGMENTATION DYNAMICS, RESOLVED PHOTOELECTRON-SPECTROSCOPY, [PHYS.PHYS.PHYS-ATM-PH]Physics [physics]/Physics [physics]/Atomic and Molecular Clusters [physics.atm-clus], Optics, SUPERFLUID-HELIUM DROPLETS, MASS-SPECTROMETRY, Química, mass-spectrometry, 021001 nanoscience & nanotechnology, Atomic and Molecular Physics, and Optics, 0104 chemical sciences, Dynamics of Molecules, superfluid-helium droplets, Physical Sciences, thermionic emission, [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph], 0210 nano-technology
Abstract

The European physical journal / D 75(5), 152 (2021). doi:10.1140/epjd/s10053-021-00155-y, This roadmap article highlights recent advances, challenges and future prospects in studies of the dynamics of molecules and clusters in the gas phase. It comprises nineteen contributions by scientists with leading expertise in complementary experimental and theoretical techniques to probe the dynamics on timescales spanning twenty order of magnitudes, from attoseconds to minutes and beyond, and for systems ranging in complexity from the smallest (diatomic) molecules to clusters and nanoparticles. Combining some of these techniques opens up new avenues to unravel hitherto unexplored reaction pathways and mechanisms, and to establish their significance in, e.g. radiotherapy and radiation damage on the nanoscale, astrophysics, astrochemistry and atmospheric science., Published by Springer, Heidelberg

Published
2021
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50. 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
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