The Adsorption sur Solides Poreux (ASP) research team of the Universite de Bourgogne in France has many years of experience in the measurement of gas and vapor adsorption in nanoporous solids. For more than 40 years, it has acquired extensive adsorption data and developed its own adsorption database. This base contains more than 1000 adsorption equilibrium data sets (adsorption isotherms, isobars, and heats of adsorption) for 49 gases or vapors on adsorbents representing similar to 15 different classes of porous solids. This ASP database is now open free of charge to the scientific community. This article provides some basic thermodynamic definitions used in this database and presents the experimental techniques used. It also includes references to the adsorption data published to date and explains how to use the database.

This study aims to deepen the understanding of how oxygen transfers through wine bottle closures and their chemical reactivity and kinetics during storage. A miniaturized bottle system was designed to enable measurements with or without model wine. Different physical and chemical mechanisms, each with its own kinetics, were revealed through oxygen permeability measurements. Four main mechanisms were identified, each occurring over different timescales. In the first days of storage, rapid equilibrium is established between the gas and liquid phases of the model wine. During the early months, oxygen diffuses from the cork cells into the gas phase in the system. Phenolic compounds are then extracted from the cork and react with the oxygen released from the sealing system into the liquid phase, leading to a decrease in oxygen content over several months. Ultimately, long-term oxygen permeation through the closure results in a gradual, continuous increase in oxygen content within the mini-bottle system.

Computation of the excess entropy $ S<^>{\rm ex} $ Sex from the second-order density expansion of the entropy holds strictly for infinite systems in the limit of small densities. For the reliable and efficient computation of $ S<^>{\rm ex} $ Sex it is important to understand finite-size effects. Here, expressions to compute $ S<^>{\rm ex} $ Sex and Kirkwood-Buff (KB) integrals by integrating the Radial Distribution Function (RDF) in a finite volume are derived, from which $ S<^>{\rm ex} $ Sex and KB integrals in the thermodynamic limit are obtained. The scaling of these integrals with system size is studied. We show that the integrals of $ S<^>{\rm ex} $ Sex converge faster than KB integrals. We compute $ S<^>{\rm ex} $ Sex from Monte Carlo simulations using the Wang-Ram & iacute;rez-Dobnikar-Frenkel pair interaction potential by thermodynamic integration and by integration of the RDF. We show that $ S<^>{\rm ex} $ Sex computed by integrating the RDF is identical to that of $ S<^>{\rm ex} $ Sex computed from thermodynamic integration at low densities, provided the RDF is extrapolated to the thermodynamic limit. At higher densities, differences up to $ 20\% $ 20% are observed.

A new kinetic equation for the adsorption and desorption of H2 on graphite is derived based on the adsorption and desorption equilibrium rates obtained from the molecular dynamics. These rates are proportional to the activity in the gas and the adsorbed phase and thus do not obey Langmuir kinetics. The new equation offers a new route for understanding experimental results. It is used to simulate the kinetics under different thermodynamic conditions, both isothermal and non-isothermal. The characteristic times of adsorption and desorption are in good agreement with the data from the literature. The relation between the kinetics and the mass flow equation is discussed within the framework of the non-equilibrium thermodynamics of heterogeneous systems. Finally, expressions for the transport coefficients are proposed for both the transfer of mass and the coupling between the mass and heat fluxes.

Purpose/Objective(s) Few studies compared short-term androgen deprivation (STADT) with high-dose radiotherapy (STADT-RT) versus high-dose radiotherapy (RT) alone in localized prostate cancer. Materials/Methods The GETUG 14 study randomized 376 patients between RT (n=191) and STADT-RT (n=179). RT dose was 80 Gy in both arms and STADT was monthly triptorelin and daily flutamide for a total duration of 4 months, starting 2 months before irradiation. Disease-free survival (DFS) was the primary endpoint. Secondary endpoints were overall survival (OS), biochemical failure (BF), metastasis failure (MF), toxicity and quality of life. Results With a median follow-up of 84 months, five-year DFS was 76% in RT arm versus 84% in STADT-RT arm (hazard ratio [HR] = 0.64; [95% CI 0.43 - 0.89]; P = .02). ADT decreased BF (HR = 0.45; P = .001) and MF (HR = 0.5; P = .09) but not OS (HR = 1.22; P = .54). No difference was found in terms of gastrointestinal (26% of grade ≥2 in both arm, P = .97) and genito-urinary acute toxicity (39% for RT and 42% for STADT-RT, P = .55). Similarly, no difference was found in late toxicity and quality of life. Conclusion STADT improves disease-free survival in intermediate and high-risk prostate cancer patients receiving high dose (80 Gy) RT, without any deterioration in the safety profile.

Introduction Certains cancers thyroïdiens rares se manifestent de manière très agressive, nécessitant une prise en charge multidisciplinaire en urgence. Objectifs Depuis juillet 2023 à La Pitié-Salpêtrière, le parcours COMPACT (Coordination optimisée et multidisciplinaire du parcours de soins des cancers thyroïdiens Agressifs) a été mis en place avec quatre objectifs :– réduire les délais d’orientation ;– fluidifier en le formalisant le processus diagnostique hospitalier pour accélérer le début du traitement ;– intégrer précocement les soins de support et les soins palliatifs ;– faciliter la transition vers les soins ambulatoires et en ville. Méthodes Une équipe projet composée de professionnels hospitaliers et de ville a identifié 19 leviers d’action. Des réunions mensuelles et des séances de travail pour chaque levier ont été organisées. Résultats Nous avons mis en place :– une brochure d’accueil ;– des plages horaires dédiées pour les examens regroupés en séjours ambulatoires ;– un logigramme piloté par une infirmière ;– un plan personnalisé de soins ;– des questionnaires pour évaluer les besoins des patients.38 patients ont été inclus. Le délai médian entre le premier contact et la première consultation était de 2jours, et de 26jours entre la première consultation et le traitement. Discussion Nous montrons que la formalisation des étapes du parcours de soin d’une maladie rare, grave et urgente comme le cancer anaplasique permet d’améliorer la cohésion dans l’équipe et la qualité des soins.

Although thermodiffusion is generally much less efficient than diffusion for chemical species transport, this phenomenon can sometimes have a significant impact on natural or technological systems. More specifically, oxygen thermodiffusion is reported as a key mechanism for nuclear fuel evolution during high power transients in nuclear plant operation. To contribute to our understanding and characterization of this phenomenon, oxygen thermodiffusion in UO2 is simulated by molecular dynamics (MD) in order to evaluate the oxygen heat of transport. Specific formulae for the heat flux are derived to take into account the non-pairwise embedded atom model (EAM) term of the empirical potential used. No electronic defects are considered and a specific strategy is built to address this flaw, including the way to ensure electroneutrality with a background charge compensating for the deviation from stoichiometry. A specific thermodynamic model is designed, including the effect of the background charge and each point defect contribution. Five MD techniques are tested and compared, among which the Green-Kubo formalism and the imposed electric field give similar results. The results are interpreted in terms of the defect heats of transport whose combination yields the complete oxygen heat of transport, which is a function of the oxygen potential. The calculated ranges of the heats of transport for the oxygen vacancy and interstitial are [0.20,0.86] eV and [-3.75,-2.60] eV, respectively.

Purpose. - The aim of the present retrospective study was to report outcomes after hypofractionated stereotactic radiotherapy (HSRT) for resected brain metastases (BM). Patients and methods. - We reviewed results of patients with resected BM treated with postoperative HSRT (3 x 7.7 Gy to the prescription isodose 70%) between May 2013 and June 2020. Local control (LC), distant brain control (DBC), overall survival (OS), leptomeningeal disease relapse (LMDR), and radiation necrosis (RN) occurrence were reported. Results. - Twenty-two patients with 23 brain cavities were included. Karnofsky Performance status (KPS) was >= 70 in 77.3%. Median preoperative diameter was 37 mm [21.0-75.0] and median planning target volume (PTV) was 23 cm3 [9.9-61.6]. Median time from surgery to SRT was 69 days [7-101] and 48% of patients had a local relapse on pre-SRT imaging. Median follow-up was 17.5 months [1.6-95.9]. One and two-year LC rates were 60.9 and 52.2% respectively. One and 2-year DBC rates were 45.5 and 40.9%. Median OS was 16.5 months. Four patients (18.2%) presented LMDR during follow-up. RN occurred in 6 patients (27.2%). Three factors were associated with OS: ECOG-PS (P = 0.009), KPS (P = 0.04), cystic or solid nature of the metastasis before surgery (P = 0.037). Several factors were related to RN occurrence: PTV diameter and volume, Normal brain V21, V21 and V24 isodoses volumes. Conclusion. - HSRT is the most widely used scheme for larger brain cavities after surgery. The optimal dose and scheme remain to be defined as well as the optimal delay between postoperative SRT and surgery. Dose escalation may be necessary, especially in case of subtotal resection. (c) 2022 Societe franc,aise de radiotherapie oncologique (SFRO). Published by Elsevier Masson SAS. All rights reserved.

A healthy breath is mainly composed of water, carbon dioxide, molecular nitrogen, and oxygen and it contains many species, in small quantities, which are related to the ambient atmosphere and the metabolism. The breath of a person affected by lung cancer presents a concentration of 1-propanol higher than usual. In this context, the development of specific sensors to detect 1-propanol from breath is of high interest. The amount of propanol usually detected on the breath is of few ppb; this small quantity is a handicap for a reliable diagnostic. This limitation can be overcome if the sensor is equipped with a pre-concentrator. Our studies aim to provide an efficient material playing this role. This will contribute to the development of reliable and easy to use lung cancer detectors. For this, we investigate the properties of a few hydrophobic porous materials (chabazite, silicalite-1, and dealuminated faujasite). Hydrophobic structures are used to avoid saturation of materials by the water present in the exhaled breath. Our experimental and simulation results suggest that silicalite -1 (MFI) is the most suitable structure to be used as a pre-concentrator.

The unique properties of zeolites make them an interesting material to be used in separation processes. The possibility of tailoring some of their characteristics, like the Si/Al ratio, allows optimizing their synthesis for a given task. Concerning the adsorption of toluene by faujasites an understanding of the effect of cations is necessary to foster the elaboration of new materials, which can capture molecules with a high degree of selectivity and sensitivity. Undoubtedly, this knowledge is relevant for a wide range of applications going from the elaboration of technologies for improving the air-quality to diagnostic procedures to prevent health risks. The studies reported here using Grand Canonical Monte Carlo simulations elucidate the role of Na-cations in the adsorption of toluene by faujasites with different Si/Al ratios. They detail how the location of the cations inhibits or enhances the adsorption. The cations located at site II are shown to be those enhancing the adsorption of toluene on faujasites. Interestingly, the cations located at site III generate a hindrance at high loading. This becomes an impediment for the organization of toluene molecules inside faujasites.

Radiation therapy (RT) is one of the main treatments administered to patients with cancer. The development of technology has improved RT accuracy by allowing more precise delivery of high doses to the target volumes with reduced exposure of healthy tissue. Life expectancy has increased due to these therapeutic advancements and the patients' quality of life remains a major concern. The adverse events related to RT are quite various and most likely will impair essential neurological functions, e.g. cognitive status. This literature review aims to describe the physiopathological processes, the neurological symptoms as well as the local modifications observed in magnetic resonance imaging following RT. The specific therapeutic options and preventive actions will also be discussed.

Purpose/Objective(s) Organs at risk annotation is a strong bottleneck of Magnetic resonance imaging guided radiotherapy (MRgRT) in the context of adaptive treatment. It is a time-consuming task that reduces patient throughput (20% of the fraction duration dedicated to contouring) while suffering standardization and reproducibility across physicians, hampering the accuracy of high precision MRgRT and diminishing its adoption potential. AI-contouring becomes a game changer in radiation oncology since it is able within seconds to provide a full OAR delineation that could be close to clinical acceptance with little modifications. The aim of this study is to evaluate the performance of AI-contouring within a multi-centric cohort for patients with pelvic / abdominal tumors treated with low field (0.35T) MRgRT. Materials/Methods In the context of this study, a CE/FDA cleared anatomically preserving ensemble deep-learning architecture contouring solution was considered. The adopted solution was trained using more than 350 0.35T MR fully annotated pelvic cases according to the ESTRO guidelines and 270 annotated abdomen fractions samples. A retrospective cohort involving 42 test cases coming from seven different institutions (US: 1, EU: 5, AS: 1) was considered. The clinical delineations used for treatment planning from expert physicians/medical physicists were associated with these cases. Results It appears that treatment practices can be very different between institutions since the use of OAR constraints were far from being uniformly adopted. Bladder & liver dosimetry constraints were the most frequently used (100% & 90%) while abdominal aorta and seminal vesicle were the least adopted (24% & 15%). The average DSC between Clinical experts and AI annotations was 78% across all structures. Bladder and left/right kidney were the structures for which the highest DSC were observed (93%, 91% & 90%), while penile bulb and duodenum were the ones with the lowest agreement (54% & 59%). AI solutions seem to have important discrepancies with clinical contours in organs on which either the volume is small or there are practice-related uncertainties with respect to the definition of beginning and the end of the structure. For quantitative evaluation, dice similarity coefficients (DSC) and 95% Hausdorff distances (HD95) were calculated. Conclusion This retrospective multi-centric study demonstrates that AI-driven contours could be a reliable alternative to clinical contours offering performance that appears to be close to the human expert for many of the structures while increasing throughput and offering automatization & standardization.

The Kirkwood-Buff theory is a cornerstone of the statistical mechanics of liquids and solutions. It relates volume integrals over the radial distribution function, so-called Kirkwood-Buff integrals (KBIs), to particle number fluctuations and thereby to various macroscopic thermodynamic quantities such as the isothermal compressibility and partial molar volumes. Recently, the field has seen a strong revival with breakthroughs in the numerical computation of KBIs and applications to complex systems such as bio-molecules. One of the main emergent results is the possibility to use the finite volume KBIs as a tool to access finite volume thermodynamic quantities. The purpose of this Perspective is to shed new light on the latest developments and discuss future avenues.

Salvage cervical radiation therapy was associated with a locoregional control of 66.7% at 2years with a reasonable toxicity rate. Carboplatin association with radiation therapy did not improve locoregional control nor overall survival in comparison with radiotherapy alone.

Purpose. - Radiation therapy is often the last resource treatment for cervical relapse in iodine refractory differentiated thyroid cancer. We present locoregional control data in patients with cervical relapse treated with curative intent radiation therapy with or without concomitant carboplatin. Material and methods. - This monocentric retrospective study gathered data on patients with differentiated thyroid carcinoma - vesicular or papillary - in relapse after thyroidectomy who received a curative intent cervical radiation therapy. Locoregional progression free survival (LRPFS), progression free survival (PFS), overall survival (OS) were gathered as well as acute and chronic adverse events assessed with the CTCAE v4. Results. - Thirty-nine patients were consecutively included between 2005 and 2019. The median followup was 36.6 months. Fifteen patients (38%) had a locoregional relapse, locoregional control at 2 years was 66.7%. The median LRPFS was 48 months [32.9 -not reached] and the median overall survival 49 months [38.8 -not reached]. In multivariate analysis, initial incomplete resection was associated with poorer OS (HR: 24.39 [3.57-166.78], P = 0.00113) and LRPFS (HR: 33.91 [4.46-257.61], P= 0.00066), extra nodal spread was associated with poorer LRPFS (HR: 13.45 [1.81-99,76], P= 0.011). ECOG performance status was associated with OS (HR: 5.11 [1.57-16.66], P = 0.00688). Carboplatin association with radiation therapy was not associated with improved survivals (OS: P = 0.34, LRPFS: P = 0.84). The rate of acute grade 3 toxicities was 14%. Conclusion. - Salvage cervical radiation therapy was associated with a locoregional control of 66.7% at 2 years with a reasonable toxicity rate. Carboplatin association with radiation therapy did not improve locoregional control nor overall survival in comparison with radiotherapy alone. (c) 2021 Published by Elsevier Masson SAS on behalf of Societe francaise de radiotherapie oncologique (SFRO).

ABSTRACT In this paper, we characterise the adsorption of ethylene, propanol and hexanal molecules on crystalline ice by grand canonical Monte Carlo simulations performed at 236 K, a temperature which is typical of some Enceladus’ environments. We show that at low coverage of the ice surface, the adsorption of propanol and hexanal is driven by the interaction of these molecules with the ice phase and, as a consequence, the adsorbed molecules lie more or less parallel to the ice surface. On the other hand, upon saturation, the adsorbate–adsorbate interactions become more and more important and the molecules tend to become tilted with respect to the surface, the aliphatic chain pointing towards the gas phase, while the polar head of propanol and hexanal molecules always stays attached to the ice surface, irrespective of the coverage. By contrast, the ethylene molecules do not show any strong affinity for the ice surface because of the corresponding weak binding energy. These results are in good agreement with the major features provided by the available experiments on similar systems.

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 ArxXe1−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 lnx, 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.

Purpose. - Management of inter- and intra-fraction movements of target volumes and organs at risk (OARs) during radiotherapy is essential. While there is little OAR or target volume movement, the movements and orientation of the eyes can be significant during radiotherapy and they can affect the position of the optic nerve. The objective of the present study was to assess the variations of the optic nerve position due to gaze direction and to discuss their clinical consequences on the radiation treatment of intraorbital tumors.Material and methods. - Three patients without a history of oculomotor nerve palsy underwent six CT acquisitions with a thermoplastic mask: eyes open with different gaze directions (straight ahead, left, right, up, down) and eyes closed. The acquisition with the straight-ahead gaze was chosen as the reference position. Left and right optic nerves were segmented on the six acquisitions, and total volumes and maximum amplitude motions were calculated in three dimensions.Results. - Maximum differences were observed while looking left and up, with a median maximum amplitude of 5 and 6 mm [range: 2-7 mm], respectively. These motions induced a position variation of more than 50% of the volume of the optic nerve (compared to the reference position). Greater variations of motion were observed for the anterior portion of the nerve. The gaze position with the fewest variations compared to the reference position was eyes closed. Conclusion. - Optic nerve positions vary significantly due to the gaze direction, especially for the anterior portion of the nerve. These variations should be taken into account for the treatment of small intraorbital tumors involving the anterior third of the optic nerve.(c) 2022 Societe franc , aise de radiotherapie oncologique (SFRO). Published by Elsevier Masson SAS. All rights reserved.

La question éthique est une thématique émergente et peu explorée dans le monde de la radiothérapie. L’objectif de notre travail était de préciser le questionnement éthique en radiothérapie dans une approche multiprofessionnelle. Une étude multicentrique a été réalisée dans 22 départements de radiothérapie français, à partir d’un questionnaire Google Form (dix questions) soumis aux oncologues radiothérapeutes, manipulateurs d’électroradiologie, physiciens médicaux, assistantes médicales et cadres. Le questionnaire visait à mieux comprendre la fréquence et la nature du questionnement éthique dans les départements de radiothérapie, ainsi que le besoin de formation. Un total de 200 personnes a répondu aux questionnaires, se répartissant en : oncologues radiothérapeutes (37 %), manipulateurs d’électroradiologie (37 %), physiciens médicaux (12,5 %), assistantes médicales (10 %) et cadres (3,5 %). Le nombre moyen d’années d’expérience en radiothérapie était de 12 ans (extrêmes : 6 mois - 40 ans). En termes de fréquence dans la pratique de radiothérapie, la question éthique se posait : fréquemment (plus d’une fois par mois ; 52,5 %), rarement (entre trois et dix fois par an ; 35,5 %), exceptionnellement (moins de deux fois par an ; 9,5 %) et jamais (2,5 %). En termes de nature, la question éthique concernait : la compréhension et/ou l’acceptation du traitement par les patients (71 %), les objectifs attendus du traitement (65 %), la lourdeur technique et organisationnelle du traitement (62 %) et le coût du traitement (13 %). Une spécificité de la question éthique en radiothérapie était reconnue pour 64 % des personnels. Les questions éthiques étaient effectivement discutées dans les départements de radiothérapie : jamais (18,5 %), parfois (47,5 %), souvent (10,5 %) et ne se prononce pas (18,5 %). Les questions d’éthique étaient considérées comme suffisamment discutées dans ces départements : non (47,5 %), oui (14 %) et ne se prononce pas (38,5 %). Seuls 17 % des personnels ont déjà eu une formation en éthique médicale. Le besoin de formation spécifique était ressenti par 83,5 % des personnels n’ayant jamais eu de formation. La question éthique se pose effectivement assez fréquemment et spécifiquement en radiothérapie, avec un sentiment d’insuffisance à la fois de discussion dans les départements et de formation. Les questions principales d’éthique concernent la compréhension du traitement par les patients, ses objectifs et la lourdeur de ceux-ci.