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4. Highly hypofractionated schedules for localized prostate cancer: Recommendations of the GETUG radiation oncology group

Author

Lapierre, Ariane, Hennequin, Christophe, Beneux, Amandine, Belhomme, Sarah, Benziane Ouaritini, Nicolas, Biston, Marie-Claude, Crehange, Gilles, de Crevoisier, Renaud, Dumas, Jean-luc, Fawzi, Maher, Lisbona, Albert, Pasquier, David, Pelissier, Sandra, Graff-Cailleaud, Pierre, Pommier, Pascal, Sargos, Paul, Simon, Jean-Marc, Supiot, Stéphane, Tantot, Florence, and Chapet, Olivier

Published
2022
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5. Martian zeolites as a source of atmospheric methane

Author

Mousis, Olivier, Simon, Jean-Marc, Bellat, Jean-Pierre, Schmidt, Frédéric, Bouley, Sylvain, Chassefière, Eric, Sautter, Violaine, Quesnel, Yoann, Picaud, Sylvain, and Lectez, Sébastien

Subjects
Astrophysics - Earth and Planetary Astrophysics
Abstract

The origin of the martian methane is still poorly understood. A plausible explanation is that methane could have been produced either by hydrothermal alteration of basaltic crust or by serpentinization of ultramafic rocks producing hydrogen and reducing crustal carbon into methane. Once formed, methane storage on Mars is commonly associated with the presence of hidden clathrate reservoirs. Here, we alternatively suggest that chabazite and clinoptilolite, which belong to the family of zeolites, may form a plausible storage reservoir of methane in the martian subsurface. Because of the existence of many volcanic terrains, zeolites are expected to be widespread on Mars and their Global Equivalent Layer may range up to more than $\sim$1 km, according to the most optimistic estimates. If the martian methane present in chabazite and clinoptilolite is directly sourced from an abiotic source in the subsurface, the destabilization of a localized layer of a few millimeters per year may be sufficient to explain the current observations. The sporadic release of methane from these zeolites requires that they also remained isolated from the atmosphere during its evolution. The methane release over the ages could be due to several mechanisms such as impacts, seismic activity or erosion. If the methane outgassing from excavated chabazite and/or clinoptilolite prevails on Mars, then the presence of these zeolites around Gale Crater could explain the variation of methane level observed by Mars Science Laboratory., Comment: Accepted for publication in Icarus

Published
2016
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11. Circulating microvesicles correlate with radiation proctitis complication after radiotherapy

Author

Ribault, Alexandre, Benadjaoud, Mohamed Amine, Squiban, Claire, Arnaud, Laurent, Judicone, Coralie, Leroyer, Aurélie, Rousseau, Alexandra, Huet, Christelle, Guha, Chandan, Benderitter, Marc, Lacroix, Romaric, Flamant, Stephane, Chen, Emily, Simon, Jean-Marc, Tamarat, Radia, Institut de Radioprotection et de Sûreté Nucléaire (IRSN), Hôpital de la Timone [CHU - APHM] (TIMONE), Centre recherche en CardioVasculaire et Nutrition = Center for CardioVascular and Nutrition research (C2VN), Aix Marseille Université (AMU)-Institut National de la Santé et de la Recherche Médicale (INSERM)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), Unité de Recherche Clinique de l’Est Parisien [CHU Saint-Antoine] (URC-EST), Centre Hospitalier National d'Ophtalmologie des Quinze-Vingts (CHNO)-CHU Tenon [AP-HP], Assistance publique - Hôpitaux de Paris (AP-HP) (AP-HP)-Sorbonne Université (SU)-Assistance publique - Hôpitaux de Paris (AP-HP) (AP-HP)-Sorbonne Université (SU)-CHU Trousseau [APHP], Assistance publique - Hôpitaux de Paris (AP-HP) (AP-HP)-Sorbonne Université (SU)-CHU Rothschild [AP-HP], Assistance publique - Hôpitaux de Paris (AP-HP) (AP-HP)-Sorbonne Université (SU)-CHU Saint-Antoine [AP-HP], Assistance publique - Hôpitaux de Paris (AP-HP) (AP-HP)-Sorbonne Université (SU)-Direction de la Recherche Clinique et de l'Innovation [AP-HP] (DRCI), Assistance publique - Hôpitaux de Paris (AP-HP) (AP-HP), Albert Einstein College of Medicine [New York], Columbia University Medical Center (CUMC), Columbia University [New York], Service d'Oncologie Radiothérapie [CHU Pitié Salpétrière], CHU Pitié-Salpêtrière [AP-HP], Assistance publique - Hôpitaux de Paris (AP-HP) (AP-HP)-Sorbonne Université (SU)-Assistance publique - Hôpitaux de Paris (AP-HP) (AP-HP)-Sorbonne Université (SU), Sorbonne Université (SU), INCa through PHRC AOM08324. EIC was supported by the National Institutes of Health (5P30CA013696-42, NIH/NCI and 2U19AI067773-11, NIH/NIAID), Cosenza, Bruno, Laboratoire de Radiobiologie des expositions médicales (IRSN/PSE-SANTE/SERAMED/LRMed), Service de recherche en radiobiologie et en médecine régénérative (IRSN/PSE-SANTE/SERAMED), Institut de Radioprotection et de Sûreté Nucléaire (IRSN)-Institut de Radioprotection et de Sûreté Nucléaire (IRSN), Centre d'investigation clinique Paris Est [CHU Pitié Salpêtrière] (CIC Paris-Est), Assistance publique - Hôpitaux de Paris (AP-HP) (AP-HP)-Institut National de la Santé et de la Recherche Médicale (INSERM)-CHU Pitié-Salpêtrière [AP-HP], Assistance publique - Hôpitaux de Paris (AP-HP) (AP-HP)-Sorbonne Université (SU)-Sorbonne Université (SU), Laboratoire de dosimétrie des rayonnements ionisants (IRSN/PSE-SANTE/SDOS/LDRI), Service de dosimétrie (IRSN/PSE-SANTE/SDOS), Pôle Santé Environnement - Direction Santé (IRSN/PSE-SANTE), Laboratoire de Radiobiologie des expositions accidentelles (IRSN/PSE-SANTE/SERAMED/LRAcc), and Assistance publique - Hôpitaux de Paris (AP-HP) (AP-HP)-Sorbonne Université (SU)

Subjects
[SDV] Life Sciences [q-bio], Multidisciplinary, [SDV]Life Sciences [q-bio]
Abstract

In a large retrospective study, we assessed the putative use of circulating microvesicles (MVs), as innovative biomarkers of radiation toxicity in a cohort of 208 patients with prostate adenocarcinoma overexposed to radiation. The level of platelet (P)-, monocyte (M)- and endothelial (E)-derived MVs were assessed by flow cytometry. Rectal bleeding toxicity scores were collected at the time of blood sampling and during the routine follow-up and were tested for association with MVs using a multivariate logistic regression. MVs dosimetric correlation was investigated using dose volume histograms information available for a subset of 36 patients. The number of PMVs was significantly increased in patients with highest toxicity grades compared to lower grades. Risk prediction analysis revealed that increased numbers of PMVs, and an increased amount of MMVs relative to EMVs, were associated with worst rectal bleeding grade compared to the time of blood sampling. Moreover, a significant correlation was found between PMV and MMV numbers, with the range of doses up to the median exposure (40 Gy) of bladder/rectum and anterior rectal wall, respectively. MVs could be considered as new biomarkers to improve the identification of patients with high toxicity grade and may be instrumental for the prognosis of radiation therapy complications.

Published
2022

16. New force field for GCMC simulations of D 2 /H 2 quantum sieving in pure silica zeolites

Author

Radola, Bastien, Giraudet, Maxence, Bezverkhyy, Igor, Simon, Jean Marc, Simon, Jean, Salazar, M., Macaud, Mathieu, Bellat, Jean Pierre, Laboratoire Interdisciplinaire Carnot de Bourgogne [Dijon] (LICB), and Université de Bourgogne (UB)-Université de Technologie de Belfort-Montbeliard (UTBM)-Centre National de la Recherche Scientifique (CNRS)

Subjects
Pore size, Materials science, General Physics and Astronomy, High loading, Thermodynamics, 02 engineering and technology, Atmospheric temperature range, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, Force field (chemistry), 0104 chemical sciences, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, Adsorption, [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph], Physical and Theoretical Chemistry, Molecular rearrangement, 0210 nano-technology, Zeolite, Quantum
Abstract

International audience; We report a study on adsorption and coadsorption of H2 and D2 in FAU, MFI and CHA pure silica zeolites having different pore sizes and shapes. Adsorption capacities, selectivities, enthalpies and entropies are determined by combining experiments and GCMC simulations. We show that the force fields available in the literature cannot predict the adsorption equilibria below 77 K with sufficient accuracy. Here we propose a new force field adjusted by using our experimental data obtained for the pure silica MFI zeolite at 65 K and 77 K. With this new force field, it is possible to predict the adsorption and coadsorption equilibria on the three zeolite structures in a temperature range between 47 and 77 K with satisfactory precision. We corroborate that the step appearing on the single adsorption isotherms in CHA is the result of a molecular rearrangement of the adsorbed phase due to the apparition of a new adsorption site characterized by weaker interactions of H2 with the adsorbent. We conclude that the quantum sieving of H2 and D2 not only depends on the pore size but also on the pore shape, in particular, at high loading when the confinement effects become important.

Published
2020

17. Thermodynamic Analysis of Ar x Xe 1 - x Solid Solutions Based on Kirkwood–Buff Theory.

Author

Miyaji, Masafumi, Simon, Jean-Marc, and Krüger, Peter

Subjects
THERMODYNAMICS, GENERALIZATION, DISTRIBUTION (Probability theory), MONTE Carlo method, ISOTHERMAL compression, CHEMICAL precursors
Abstract

Kirkwood–Buff Integral (KBI) theory is an important method for the analysis of the structural and thermodynamic properties of liquid solutions. For solids, the calculation of KBIs has become possible only recently through the finite-volume generalisation of KBI theory, but it has so far only been applied to monoatomic crystals. Here, we show that KBI theory can be applied to solid mixtures and compute the KBIs of a Ar x Xe 1 − x solid solution, for 0 < x < 0.1 and temperature T = 84 − 86 K, from pair distribution functions obtained by Monte Carlo simulation. From the KBIs, the isothermal compressibility, partial molar volumes, and thermodynamic factors are calculated and found to be in good agreement with alternative theoretical methods. The analysis of the KBIs and the partial molar volumes give insight into the structure of the mixture. The KBI of Ar pairs is much larger than that of Xe pairs, which indicates the tendency of Ar impurities to accumulate. The evolution of the partial molar volumes with increasing Ar molar fraction x shows a transition at x ≈ 0.06 , which reflects the formation of Ar clusters, precursors of the Ar-rich liquid phase. The calculated thermodynamic factors show that the solid(Xe) phase becomes unstable at x ≈ 0.1 , indicating the start of the solid (Xe)–liquid (Ar) equilibrium. The chemical potentials of Ar and Xe are obtained from the thermodynamic factor by integration over ln x , and by fitting the data to the Margules equations, the activity coefficients can be estimated over the whole composition range. The present findings extend the domain of applicability of the KBI solution theory from liquids to solids. [ABSTRACT FROM AUTHOR]

Published
2022
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21. Kirkwood-Buff integrals from molecular simulation

Author

Dawass, N. (author), Krüger, Peter (author), Schnell, Sondre K. (author), Simon, Jean Marc (author), Vlugt, T.J.H. (author), Dawass, N. (author), Krüger, Peter (author), Schnell, Sondre K. (author), Simon, Jean Marc (author), and Vlugt, T.J.H. (author)

Abstract

The Kirkwood-Buff (KB) theory provides a rigorous framework to predict thermodynamic properties of isotropic liquids from the microscopic structure. Several thermodynamic quantities relate to KB integrals, such as partial molar volumes. KB integrals are expressed as integrals of RDFs over volume but can also be obtained from density fluctuations in the grand-canonical ensemble. Various methods have been proposed to estimate KB integrals from molecular simulation. In this work, we review the available methods to compute KB integrals from molecular simulations of finite systems, and particular attention is paid to finite-size effects. We also review various applications of KB integrals computed from simulations. These applications demonstrate the importance of computing KB integrals for relating findings of molecular simulation to macroscopic thermodynamic properties of isotropic liquids., Accepted Author Manuscript, Engineering Thermodynamics

Published
2019
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22. 10-Year Locoregional Control with Postoperative External Beam Radiotherapy in Patients with Locally Advanced High-Risk Non-Anaplastic Thyroid Carcinoma De Novo or at Relapse, a Propensity Score Analysis

Author

Servagi Vernat, Stéphanie, primary, Khalifa, Jonathan, additional, Sun, Xu-Shan, additional, Kammerer, Emmanuel, additional, Blais, Eivind, additional, Faivre, Jean-Christophe, additional, Sio, Terence Tai-Weng, additional, Pan, Jianji, additional, Qiu, Hao, additional, Bar-Sela, Gil, additional, Simon, Jean-Marc, additional, Salleron, Julia, additional, and Thariat, Juliette, additional

Published
2019
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24. Absence of correlation between radiation-induced CD8 T-lymphocyte apoptosis and sequelae in patients with prostate cancer accidentally overexposed to radiation

Author

Vogin, Guillaume, primary, Merlin, Jean-Louis, additional, Rousseau, Alexandra, additional, Peiffert, Didier, additional, Harlé, Alexandre, additional, Husson, Marie, additional, Hajj, Labib El, additional, Levitchi, Mihai, additional, Simon, Tabassome, additional, and Simon, Jean-Marc, additional

Published
2018
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26. Sticking probability on zeolites

Author

Simon, Jean-Marc, Bellat, Jean-Pierre, Vasenkov, Sergey, and Karger, Jorg

Subjects
Molecular dynamics -- Analysis, Nuclear magnetic resonance -- Analysis, Zeolites -- Research, Chemicals, plastics and rubber industries
Abstract

The pulsed field gradient NMR diffusion measurements and molecular dynamics simulations show that the typical values of sticking coefficient are close to one. The infrared (IR) uptake measurements indicate that the values of sticking coefficient have high orders of magnitude.

Published
2005

27. Thermal flux through a surface of n-octane. A non-equilibrium molecular dynamics study

Author

Simon, Jean-Marc, Kjelstrup, Signe, Bedeaux, Dick, and Hafskjold, Bjorn

Subjects
Chemistry, Physical and theoretical -- Analysis, Surface chemistry -- Analysis, Chemicals, plastics and rubber industries
Abstract

The theory of non-equilibrium thermodynamics is used to describe the behavior of n-octane at the interface between liquid and vapor. The results support the basic assumptions in non-equilibrium thermodynamics and helps in giving the linear flux force relations of transport with surface tension dependent transfer coefficients.

Published
2004

28. Marine Le Pen, au nom du père

Author

Simon, Jean-Marc, Simon, Jean-Marc, Simon, Jean-Marc, and Simon, Jean-Marc

Abstract

Marine Le Pen est un mystère. Un jour impeccable face aux caméras, peaufinant son image de présidentiable, et le lendemain, d’un mot, « occupation », prenant l’opinion à contre-pied, s’ouvrant à toutes les critiques, même si personne n’est dupe devant ce dérapage très contrôlé à vocation interne. D’aucuns voient en Marine Le Pen le clone parfait de son père. Pour d’autres, frontistes purs et durs, elle est au contraire l’incarnation d’un lepénisme light : un « marinisme » rompant avec les traditions du parti. Déjà, à l’appellation extrême droite, elle préfère « droite nationale, populaire et sociale ». Toutefois, ce marinisme ne saurait être vu comme une expression politique sortie du néant. Tant par filiation que par réaction, elle ne peut être elle-même que la fille, digne ou indigne, du lepénisme, avant d’être celle de Jean-Marie… Alors que le Front national voit disparaître les vieilles lunes de l’Anti-89, du vichysme et de l’Algérie française, Marine, « fille de 68 », drapée de républicanisme et de laïcité, pourrait bien scier quelques vieilles branches sur l’autel de sa « révolution patriotique ». En présentant ce qu’est le lepénisme, ce livre raconte l’irrésistible ascension d’une femme dont certains disent qu’elle est du même bois que son père. Au lecteur d’en juger.

Published
2011

31. Kinetics of adsorption of linear and branched C6 alkanes onto ZSM-5 zeolite - experiments and molecular simulations: Kinetics of adsorption of linear and branched C6 alkanes ontoZSM-5 zeolite - experiments and molecular simulations

Author

Université de Bourgogne, Universität Leipzig, Simon, Jean-Marc, Fardet-Lemaire, Edith, Bezverkhyy, Igor, Bellat, Jean-Pierre, Baras, Florence, Université de Bourgogne, Universität Leipzig, Simon, Jean-Marc, Fardet-Lemaire, Edith, Bezverkhyy, Igor, Bellat, Jean-Pierre, and Baras, Florence

Published
2016

33. Numerical evidence for the validity of the local equilibrium hypothesis - the n-octane vapor-liquid interface: Numerical evidence for the validity of the local equilibriumhypothesis - the n-octane vapor-liquid interface

Author

Université de Bourgogne, Norwegian University of Science and Technology, Universität Leipzig, Simon, Jean-Marc, Kjelstrup, Signe, Bedeaux, Dick, Université de Bourgogne, Norwegian University of Science and Technology, Universität Leipzig, Simon, Jean-Marc, Kjelstrup, Signe, and Bedeaux, Dick

Published
2016

35. The coupled transport of heat and mass across a silicalite surface: non-equilibrium molecular dynamics simulations of n-butane

Author

Norwegian University of Science and Technology, CNRS- Université de Bourgogne, Universität Leipzig, Inzoli, Isabella, Kjelstrup, Signe, Bedeaux, Dick, Simon, Jean-Marc, Norwegian University of Science and Technology, CNRS- Université de Bourgogne, Universität Leipzig, Inzoli, Isabella, Kjelstrup, Signe, Bedeaux, Dick, and Simon, Jean-Marc

Published
2015

36. Direct calculation of the thermodynamic correction factor, gamma, from molecular dynamics simulations

Author

Delft University of Technology, CNRS-Université de Bourgogne, Norwegian University of Science and Technology, Universität Leipzig, Schnell, Sondre Kvalvåg, Vlugt, Thijs J. H., Simon, Jean-Marc, Kjelstrup, Signe, Bedeaux, Dick, Delft University of Technology, CNRS-Université de Bourgogne, Norwegian University of Science and Technology, Universität Leipzig, Schnell, Sondre Kvalvåg, Vlugt, Thijs J. H., Simon, Jean-Marc, Kjelstrup, Signe, and Bedeaux, Dick

Published
2015

37. Commensurate diffusion effects of n-heptane in silicalite-1

Author

CNRS-Université de Bourgogne, CINaM – CNRS, Universität Leipzig, Simon, Jean-Marc, Floquet, Nicole, Bellata, Jean-Pierre, Weber, Guy, CNRS-Université de Bourgogne, CINaM – CNRS, Universität Leipzig, Simon, Jean-Marc, Floquet, Nicole, Bellata, Jean-Pierre, and Weber, Guy

Published
2015

38. Oxygen diffusion through natural raw cork

Author

Université de Bourgogne, CNRS-Université de Bourgogne, Universität Leipzig, Lequin, Sonia, Bellatc, Jean-Pierre, Simon, Jean-Marc, Karboviak, Thomas, Brachais, Laurent, Chassagne, David, Université de Bourgogne, CNRS-Université de Bourgogne, Universität Leipzig, Lequin, Sonia, Bellatc, Jean-Pierre, Simon, Jean-Marc, Karboviak, Thomas, Brachais, Laurent, and Chassagne, David

Published
2015

42. Oxygen diffusion through natural raw cork

Author

Lequin, Sonia, Bellatc, Jean-Pierre, Simon, Jean-Marc, Karboviak, Thomas, Brachais, Laurent, Chassagne, David, Université de Bourgogne, CNRS-Université de Bourgogne, and Universität Leipzig

Subjects
diffusion, transport, ddc:530
Published
2011

45. Surface resistance to heat and mass transfer in a silicalite membrane. A Non-Equilibrium Molecular Dynamics study

Author

Inzoli, I., Simon, Jean-Marc, Kjelstrup, S., Chemistry department, Norwegian University of Science and Technology ( NTNU ), Norwegian University of Science and Technology [Trondheim] ( NTNU ), Laboratoire Interdisciplinaire Carnot de Bourgogne ( LICB ), Université de Bourgogne ( UB ) -Centre National de la Recherche Scientifique ( CNRS ), Department of Process and Energy, TU Delft, Delft University of Technology ( TU Delft ), Norwegian University of Science and Technology, CNRS-Université de Bourgogne, Universität Leipzig, Bellat, Jean Pierre, Department of Chemistry [Trondheim] (Chemistry NTNU), Norwegian University of Science and Technology [Trondheim] (NTNU), Norwegian University of Science and Technology (NTNU)-Norwegian University of Science and Technology (NTNU), Laboratoire Interdisciplinaire Carnot de Bourgogne (LICB), Université de Bourgogne (UB)-Centre National de la Recherche Scientifique (CNRS), and Delft University of Technology (TU Delft)

Subjects
[ PHYS.PHYS.PHYS-CHEM-PH ] Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph], diffusion, transport, ddc:530, [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph], [PHYS.PHYS.PHYS-CHEM-PH] Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph]
Published
2007

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