Papers by Michele Arcangelo Quinto
Physics in Medicine and Biology, 2015
Water versus DNA: new insights into proton track-structure modelling in radiobiology and radiothe... more Water versus DNA: new insights into proton track-structure modelling in radiobiology and radiotherapy View the table of contents for this issue, or go to the journal homepage for more 2015 Phys. Med. Biol. 60 7805

La reconstruction tomographique à partir de données de projections est un problème inverse largem... more La reconstruction tomographique à partir de données de projections est un problème inverse largement utilisé en imagerie médicale et de façon plus modeste pour le contrôle nondestructif. Avec un nombre suffisant de projections, les algorithmes analytiques permettentdes reconstructions rapides et précises. Toutefois, dans le cas d’un faible nombre de vues(imagerie faible dose) et/ou d’angle limité (contraintes spécifiques liées à l’installation), lesdonnées disponibles pour l’inversion ne sont pas complètes, le mauvais conditionnementdu problème s’accentue, et les résultats montrent des artefacts importants. Pour aborderces situations, une approche alternative consiste à discrétiser le problème de reconstruction,et à utiliser des algorithmes itératifs ou une formulation statistique du problème afinde calculer une estimation de l’objet inconnu. Ces méthodes sont classiquement basées surune discrétisation du volume en un ensemble de voxels, et fournissent des cartes 3D de ladensité de ...

Tomography reconstruction from projections data is an inverse problem widely used in the medical ... more Tomography reconstruction from projections data is an inverse problem widely used in the medical imaging field. With sufficiently large number of projections over the required angle, the FBP (filtered backprojection) algorithms allow fast and accurate reconstructions. However in the cases of limited views (lose dose imaging) and/or limited angle (specific constrains of the setup), the data available for inversion are not complete, the problem becomes more ill-conditioned, and the results show significant artifacts. In these situations, an alternative approach of reconstruction, based on a discrete model of the problem, consists in using an iterative algorithm or a statistical modelisation of the problem to compute an estimate of the unknown object. These methods are classicaly based on a volume discretization into a set of voxels and provide 3D maps of densities. Computation time and memory storage are their main disadvantages. Moreover, whatever the application, the volumes are seg...
X-Ray Spectrometry, 2019
The present work focuses on studying the contribution of the Auger electron emission in proton-in... more The present work focuses on studying the contribution of the Auger electron emission in proton-induced interactions in biological matter. The Monte Carlo track-structure code, TILDA-V, was then used for modeling the protons beams of 10 keV to 100 MeV in biological matter, namely, water vapor and hydrated DNA. The main ionizing processes are described by means of an extensive set of ab initio differential and total cross sections computed within a quantum-mechanical CDW-EIS approximation.

Radiation Physics and Chemistry, 2019
In radiobiology, predicting the evolution of irradiated biological matter is nowadays an active f... more In radiobiology, predicting the evolution of irradiated biological matter is nowadays an active field of research to identify DNA lesions or to adapt the radiotherapeutic protocols in radiation oncology. In this context, the numerical methods, based on Monte Carlo track-structure simulations, represent the most suitable and powerful tools for understanding the radiobiological damages induced by ionizing particles. In the present work, we report the theoretical differential and total cross sections, computed within the quantum mechanical continuum distorted wave-eikonal initial state (CDW-EIS) approach, for ion impact on water vapor and DNA nucleobases. These cross sections have been used to build up the input database for the homemade Monte Carlo track-structure TILDA-V. A comparison between the theoretical predictions and the available experimental data is presented. Micro-dosimetry results obtained with TILDA-V are also reported.

Journal of Physics B: Atomic, Molecular and Optical Physics, 2018
Electron capture from molecular targets impacted by swift ions, H+, He2+, Li3+ and C6+, is invest... more Electron capture from molecular targets impacted by swift ions, H+, He2+, Li3+ and C6+, is investigated in the framework of the quantum-mechanical continuum distorted wave-Eikonal initial state model. Biological molecules considered are nitrogen, methane, carbon monoxide, carbon dioxide and water. In particular, for water, the calculation of the corresponding cross sections plays a fundamental role for the determination of energy deposition in biological matter. A detailed analysis on the contributions coming from different molecular orbitals to total cross sections (TCS) are discriminated as well as those of capture to fundamental and excited projectile states. A good agreement with measurements is found for cases where experimental data exist. For other systems, the theoretical results here reported are useful for the prediction of the corresponding TCS.Fil: Quinto, M.A.. No especifica; ArgentinaFil: Montenegro, Pablo Raúl. No especifica; ArgentinaFil: Monti, Juan Manuel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Rosario. Instituto de Física de Rosario. Universidad Nacional de Rosario. Instituto de Física de Rosario; ArgentinaFil: Fojon, Omar Ariel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Rosario. Instituto de Física de Rosario. Universidad Nacional de Rosario. Instituto de Física de Rosario; ArgentinaFil: Rivarola, Roberto Daniel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Rosario. Instituto de Física de Rosario. Universidad Nacional de Rosario. Instituto de Física de Rosario; Argentin

Journal of Physics B: Atomic, Molecular and Optical Physics, 2018
Single- and multiple-electron removal processes (ionization, capture and transfer-ionization) fro... more Single- and multiple-electron removal processes (ionization, capture and transfer-ionization) from water molecules by the impact of protons have been studied. A prior version of the three-body continuum distorted wave-eikonal initial state (3B-CDW-EIS) approximation within the independent electron approximation is used to calculate transition probabilities as a function of the impact parameter and consequently pure and net absolute cross sections for the collisions under consideration. A unitarization procedure is employed to avoid possible overestimation of the 3B-CDW-EIS single-particle impact parameter probabilities at intermediate collision energies. Multiple-electron transitions are determined using a statistical multinomial distribution. A critical analysis of the validity of this type of distribution for describing pure single-electron processes is presented. The results are compared with other theoretical calculations and available experimental data at impact energies from 50 keV to 5 MeV. New physical insights into the reactions studied are introduced.
The European Physical Journal D, 2017
Abstract We report calculations on single differential and total cross sections for single ioniza... more Abstract We report calculations on single differential and total cross sections for single ionization and single electron capture from biological targets, namely, vapor water and DNA nucleobasese molecules, by bare projectile impact: H+, He2+, and C6+. They are performed within the Continuum Distorted Wave – Eikonal Initial State approximation and compared to several existing experimental data. This study is oriented to the obtention of a reliable set of theoretical data to be used as input in a Monte Carlo code destined to micro- and nano- dosimetry. Graphical abstract

The European Physical Journal D, 2017
Abstract We report here a theoretical study of the target orientation effect on the total cross s... more Abstract We report here a theoretical study of the target orientation effect on the total cross sections for the double ionization of methane molecules impacted by electrons. The theoretical description is performed within the first Born approximation. The initial state of the collisional system is composed of an electron projectile modeled by a plane wave and a molecular target described by a one-center wave function while the final state is constituted by a scattered electron described by a plane wave and two ejected electrons both represented by a Coulomb wave and coupled with a Gamow factor. Secondary electron energetic distributions and total cross sections are reported for particular target configurations. Strong orientation effects on the double-ionization process are pointed out in particular when scrutinized orbital by orbital. Graphical abstract
The European Physical Journal D, 2017
Abstract Understanding the radiation-induced effects at the cellular and subcellular levels remai... more Abstract Understanding the radiation-induced effects at the cellular and subcellular levels remains crucial for predicting the evolution of irradiated biological matter. In this context, Monte Carlo track-structure simulations have rapidly emerged among the most suitable and powerful tools. However, most existing Monte Carlo track-structure codes rely heavily on the use of semi-empirical cross sections as well as water as a surrogate for biological matter. In the current work, we report on the up-to-date version of our homemade Monte Carlo code TILDA-V – devoted to the modeling of the slowing-down of 10 keV–100 MeV protons in both water and DNA – where the main collisional processes are described by means of an extensive set of ab initio differential and total cross sections. Graphical abstract

Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 2017
The interest of the present work is focused on theoretical calculations of single electron ioniza... more The interest of the present work is focused on theoretical calculations of single electron ionization, single electron capture and transfer-ionization reactions of He targets interacting with bare ion beams. In order to investigate all these processes, the corresponding transition probabilities are determined in the framework of the prior-version of the three-body Continuum Distorted Wave-Eikonal Initial State model (3B-CDW-EIS). A theoretical description using a trinomial probability analysis based on 3B-CDW-EIS is also presented to analyze its limitations for the studied reactions. The cases of He 2+ and Li 3+ projectiles are considered at intermediate and high collision energies. A unitarization procedure is employed to avoid transition probabilities larger than one at intermediate velocities.
International Journal of Mass Spectrometry, 2016
Abstract We report in this work theoretical differential cross sections for the double ionization... more Abstract We report in this work theoretical differential cross sections for the double ionization of oriented methane molecular subshells, namely, the 1t2 and 2a1 levels, impacted by 1 keV electrons. The present calculations are provided within the first Born approximation with a target molecule described by means of a single-center wave function. A strong dependence of the fivefold differential cross sections versus the target orientation is observed in particular when the double ionization process is studied orbital by orbital. In all the kinematical conditions considered, we point out the signature of the well-known mechanisms involved in double ionization collisions.

Theranostics, 2016
PURPOSE: Radionuclide therapy is increasingly seen as a promising option to target minimal residu... more PURPOSE: Radionuclide therapy is increasingly seen as a promising option to target minimal residual disease. Copper-67, scandium-47 and terbium-161 have a medium-energy βemission which is similar to that of lutetium-177, but offer the advantage of having diagnostic partner isotopes suitable for pretreatment imaging. The aim of this study was to compare the efficacy of 67 Cu, 47 Sc and 161 Tb to irradiate small tumors. METHODS: The absorbed dose deriving from a homogeneous distribution of 67 Cu, 47 Sc or 161 Tb in water-density spheres was calculated with the Monte Carlo code CELLDOSE. The diameters of the spheres ranged from 5 mm to 10 µm, thus simulating micrometastases or single tumor cells. All electron emissions, including βspectra, Auger and conversion electrons were taken into account. Because these radionuclides differ in electron energy per decay, the simulations were run assuming that 1 MeV was released per µm 3 , which would result in a dose of 160 Gy if totally absorbed. RESULTS: The absorbed dose was similar for the three radionuclides in the 5-mm sphere (146-149 Gy), but decreased differently in smaller spheres. In particular, 161 Tb delivered higher doses compared to the other radionuclides. For instance, in the 100-µm sphere, the absorbed dose was 24.1 Gy with 67 Cu, 14.8 Gy with 47 Sc and 44.5 Gy with 161 Tb. Auger and conversion electrons accounted for 71% of 161 Tb dose. The largest dose differences were found in cell-sized spheres. In the 10-µm sphere, the dose delivered by 161 Tb was 4.1 times higher than that from 67 Cu and 8.1 times that from 47 Sc. CONCLUSION: 161 Tb can effectively irradiate small tumors thanks to its decay spectrum that combines medium-energy βemission and low-energy conversion and Auger electrons. Therefore 161 Tb might be a better candidate than 67 Cu and 47 Sc for treating minimal residual disease in a clinical setting.

Journal of nuclear medicine : official publication, Society of Nuclear Medicine, Jan 9, 2016
Radiopharmaceutical therapy, traditionally limited to refractory metastatic cancer, is being incr... more Radiopharmaceutical therapy, traditionally limited to refractory metastatic cancer, is being increasingly used at earlier stages, such as for treating minimal residual disease. The aim of this study was to compare the effectiveness of yttrium-90, lutetium-177, indium-111 and terbium-161 at irradiating "micrometastases". (90)Y and (177)Lu are widely used beta-emitting radionuclides. (161)Tb is a medium-energy beta-isotope, which is similar to (177)Lu but emits a higher percentage of conversion and Auger electrons. (111)In emits gamma photons, conversion and Auger electrons. We used the Monte Carlo code CELLDOSE to assess electron doses from a uniform distribution of (90)Y, (177)Lu, (111)In or (161)Tb in spheres with diameters ranging from 10mm to 10µm. Because these isotopes differ in electron energy per decay, the doses were compared assuming that 1 MeV was released per µm3, which would result in 160Gy if totally absorbed. In a 10-mm sphere, the doses delivered by (90)Y, (...
The European Physical Journal D, 2015
ABSTRACT
In this paper, we propose the use of the graphics processor unit (GPU) to accelerate a ray-tracin... more In this paper, we propose the use of the graphics processor unit (GPU) to accelerate a ray-tracing method in the framework of X-ray tomographic image reconstruction. We first describe an innovative iterative reconstruction method we have developed based on a tetrahedral volume with conjugate gradient. We do not use voxels here but instead tetrahedrons to increase the quality of reconstruction and the reduction of data as thus we need less resolution of the volume to fit the object reconstructed. This is an important point to use the GPU. We present here the algorithms adapted to the GPU and the results obtained compared to CPU.

Radiation Physics and Chemistry, 2015
The current work aims at providing an accurate description of the ion track-structure in poly-all... more The current work aims at providing an accurate description of the ion track-structure in poly-allyl dyglycol carbonate (PADC) by using an up-to-date Monte-Carlo code -called TILDA-V (a French acronym for Transport d'Ions Lourds Dans l'Aqua & Vivo). In this simulation the ion track-structure in PADC is mainly described in terms of ejected electrons with a particular attention done to the Low Energy Electrons (LEEs). After a brief reminder of the most important channels through which LEEs are prone to break a chemical bond, we will report on the simulated energetic distributions of LEEs along an ion track in PADC for particular incident energies located on both sides of the Bragg-peak position. Finally, based on the rare data dealing with LEEs interaction with polymers or organic molecules, we will emphasise the role played by the LEEs in the formation of a latent track in PADC, and more particularly the one played by the sub-ionization electrons.
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Papers by Michele Arcangelo Quinto