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Using COSMO-SAC models in the mixing rules of the <i>translated-consistent</i> Peng-Robinson equation-of-state: a rigorous benchmarking across a broad and diverse database
No full textInternational audienceAmong the various continuum solvation models available, the COSMO-type ones are the most accurate option as they incorporate a robust statistical thermodynamic formulation combined with quantum-based calculations, ensuring a good level of accuracy and a high predictive power. Therefore, COSMO-type models offer an interesting alternative to group contribution-based approaches like UNIFAC, whose applicability relies on the availability of functional groups and their associated interaction parameters. When it comes to calculating thermodynamic data at low and high pressures, UNIFAC is typically used as the excess Gibbs energy model within the mixing rules of cubic equations of state, such as PSRK, VTPR, and UMR-PRU. In view of the advantages associated with the COSMO-based approach, this work aims to systematically analyze the use of COSMObased models within mixing rules of cubic equations of state. For this purpose, three versions of the COSMO-SAC model (COSMO-SAC 2002, 2010, and dsp) were implemented (and re-parameterized) alongside the translatedconsistent Peng-Robinson equation of state (tc-PR EoS) for a comprehensive benchmarking study based on a large and diverse experimental database of 160 binary mixtures. This database comprises data on vapor-liquid equilibria at both low and high pressures, as well as critical points and mixing properties, such as enthalpy and heat capacity. By combining the tc-PR EoS with more advanced COSMO-SAC models (2010 and dsp), it was possible to effectively represent the phase behavior of a wide range of mixtures, consistently reproducing complex phase diagrams at least from a qualitative point of view and, in many cases, also quantitatively.</div
Investigating the impact of an occupational therapy approach on occupational participation and engagement of people with disabilities in the Lebanese labor market: A single-case experimental design
No full textInternational audienceIntroduction: Work inclusion of people with disabilities (PWD) is a pivotal area of occupational therapy (OT). National and international legislation underlines the rights and duties of PWD concerning workplace inclusion. Despite legal frameworks promoting PWD rights in employment, significant barriers exist. Few studies have explored OT interventions in this context. This research aims to assess the impact of an OT-based job coaching intervention on PWDs’ participation and engagement in the Lebanese labor market. Method: Using an ABABA design, the study involved 27 sessions applying job coaching principles within an OT framework. Three employed individuals with disabilities, facing workplace challenges, participated. Baseline data included task execution speed and errors. Occupational participation and engagement were measured using the Model of Human Occupation Screening Tool. Results: OT-based job coaching effectively enhanced PWD’s participation and engagement, reducing task errors and execution time, thereby addressing some occupational challenges. Conclusion: Based on the outcomes of this study, integrating job coaching with OT approach may improve job performance for PWD. Future research should replicate these findings on a larger scale to validate their applicability in Lebanon and globally
Neurological and psychiatric issues in 187 adults with early-treated PKU: The ECOPHEN study
No full textInternational audienceIntroduction: Phenylketonuria (PKU) is an autosomal recessive disorder caused by mutations in the PAH gene leading to phenylalanine hydroxylase deficiency. This results in the accumulation of phenylalanine (Phe) in blood and brain, causing neurological and psychiatric impairments if untreated. Newborn screening (NBS) introduced in the 1960s enables early PKU diagnosis, allowing prompt dietary or sapropterin treatment. The long-term outcomes in adults with early-treated PKU, however, may include subtle neurocognitive deficits alongside somatic neurological and psychiatric complications, which remain incompletely characterized. Patients and methods: The ECOPHEN study was a French 5-year multicenter prospective cohort assessing neuropsychiatric disorders in adults with early-treated PKU. Results: Here are presented the data at inclusion. The study recruited 187 patients who were classified by PKU severity-classic, mild, or mild persistent hyperphenylalaninemia-and diet adherence status. Neurological history revealed symptoms in 11.2 % of patients, exclusively in classic PKU, including tremor, migraines, and balance disorders, without significant differences between diet groups. Neurological examination abnormalities predominantly included abnormal deep tendon reflexes in classic PKU patients. Psychiatric issues affected 25.7 % of patients across severity groups, mainly depressive episodes and anxiety, with no clear influence of diet adherence. Discussion/conclusion: The present study highlights neurological complications persisting despite early treatment, particularly in classic PKU. Diet adherence and current plasma Phe levels did not correlate significantly with neurological or psychiatric outcomes, possibly due to suboptimal metabolic control. Limitations included the cross-sectional design, absence of control group, and retrospective data collection. Overall, adults with early-treated PKU show a generally favorable outcome but remain at risk for neuropsychiatric manifestations, supporting the need for lifelong follow-up including neurologic and psychiatric evaluation
Demystifying Performer Attention: Handle Genome-Length Sequences Efficiently
No full texthttps://thekhair.github.io/This document provides a comprehensive tutorial on attention mechanisms, starting from the fundamental self-attention mechanism and progressing to the efficient Performer attention. We explain all mathematical concepts with clarity, using gene sequence analysis as a motivating example throughout. The document includes stepby-step explanations, comparative analyses, practical examples, and complete PyTorch implementation code for Performer attention. All concepts are presented in an accessible manner suitable for both beginners and experienced practitioners in machine learning and computational biology.This document provides a comprehensive tutorial on attention mechanisms, starting from the fundamental self-attention mechanism and progressing to the efficientPerformer attention. We explain all mathematical concepts with clarity, using gene sequence analysis as a motivating example throughout. The document includes step-by-step explanations, comparative analyses, practical examples, and complete PyTorch implementation code for Performer attention. All concepts are presented in an accessible manner suitable for both beginners and experienced practitioners in machine learning and computational biology
Correction: Tuning the electronic properties of Fe( ii )–NHC sensitizers with thienyl π-extended ligands
No full textInternational audienceCorrection for ‘Tuning the electronic properties of Fe( ii )–NHC sensitizers with thienyl π-extended ligands’ by Nour Shalhoub et al. , Dalton Trans. , 2025, 54 , 17662–17673, https://doi.org/10.1039/d5dt02301g
Changement du prénom d’un enfant en bas âge : quel usage pour un intérêt légitime ?
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Executive Summary of the KDIGO 2026 Clinical Practice Guideline for the Management of Anemia in Chronic Kidney Disease (CKD)
No full textInternational audienceThe Kidney Disease: Improving Global Outcomes (KDIGO) 2026 Clinical Practice Guideline for the Management of Anemia in Chronic Kidney Disease (CKD) represents an update to the guideline published in 2012. Its scope includes diagnosis and evaluation of anemia; use of iron to treat iron deficiency and anemia in CKD; use of erythropoiesis-stimulating agents and hypoxia-inducible factor-prolyl hydroxylase inhibitors to treat anemia in CKD; and red blood cell transfusions to treat anemia in CKD. The guideline has been developed with patient partners, healthcare providers, and researchers around the world, with the goal to generate a useful resource for healthcare providers and patients by providing actionable recommendations. The development of this guideline followed an explicit process of evidence review and appraisal based on systematic reviews. The certainty of evidence and strength of recommendations follows the Grading of Recommendations Assessment, Development, and Evaluation (GRADE) approach. The guideline also provides practice points that provide clinical advice but are not supported by a systematic review. Limitations of the evidence are discussed. Research recommendations to address gaps in knowledge, and implications for policy and payment, are provided. The guideline targets a broad audience of healthcare providers, affected individuals, and stakeholders involved in the various aspects of anemia and CKD care.</div
How to parameterise the association term in SAFT models? Insights from the I-PC-SAFT Equation of State
No full textInternational audienceAn extended version of the I-PC-SAFT equation of state (EoS) which incorporates the association term is presented, and a parameterisation protocol is proposed for water and three well-known homologous series of selfassociating compounds: linear alcohols (from C 1 to C 18 , except C 14 ), linear carboxylic acids (from C 2 to C 17 ) and linear amines (from C 1 to C 12 ). The protocol follows the same constraints used in the original non-associative I-PC-SAFT (NonA-I-PC-SAFT), i.e., an exact reproduction of the critical temperature and pressure, acentric factor as well as the saturated liquid density at a reduced temperature of 0.8. Seven (1A, 2A, 2B, 3A, 3B, 4A and 4B) and eight classical association schemes (1A, 2A, 2B, 3A, 3B, 4A, 4B and 4C) were examined for the three homologous series and water respectively, in addition to the reference variant without the association term (NonA-I-PC-SAFT). For each component, the optimal reduced association parameters ( κAB, εAB /ε) ) were determined by minimising an objective function that prioritises the vapour pressure, followed by liquid density and finally thermal properties. Compared to the NonA-I-PC-SAFT EoS, the association term substantially improved predictions for strongly associating fluids. For alcohols, the mean absolute percentage error (MAPE) in vapour pressures decreases from ~15 % to ~2 %, heat capacity and heat of vaporisation errors decrease from ~16 % and ~10 % to <5 %. Similar improvements are observed for carboxylic acids: from ~8 % to less than ~1 % for the vapour pressures, from ~14 % to 9 % for the heat of vaporisation, while the errors of the heat capacities were barely reduced from ~8 % to ~7 %. For water, the association term reduces MAPE for vapour pressures from ~5 % to ~1 %, for heat of vaporisation from ~4 % to ~2 % and for heat capacity from ~24 % to ~4 %. In contrast, minimal improvements are observed for the amines that are weakly associating. The liquid densities errors remained close to ~5 % for all systems.In the case of alcohols, amines and water, all association schemes gave comparable results. The optimal association scheme was found to be 2B for both amines and alcohols, 1A for the acids and 4B for water. These results demonstrate that the association term is essential for strongly associating alcohols, carboxylic acids and water, whilst the NonA-I-PC-SAFT EoS offers a simpler alternative for amines without significantly compromising the accuracy of the predictions
Modeling permeability of fibrous filters combining submicron and micron fibers in slip flow regime
No full textInternational audienceA C TFibrous media are essential in aerosol filtration due to their ability to balance filtration efficiency, pressure drop, and dust holding capacity. Their performance depends on structural parameters such as fiber diameter, packing density, and thickness and the most efficient filters often include submicron or nanofibers. However, predicting pressure drop remains challenging, particularly due to slip flow effects at small scales. Existing models rarely account for both slip effects and fiber size distribution. This study extends a model originally developed for micronic fibers to submicron fibers, incorporating both the influence of slip effects and fiber size distribution. In order to overcome uncertainties in determining the structural parameters of fibrous media, the model was initially validated on numerically generated fibrous structures.This broader-scope model, when compared with other models from the literature, exhibits an improved predictive accuracy (within ± 10 %) for permeability values obtained from numerical simulations on both monomodal (219 cases) and polymodal (183 cases) fibrous structures, covering a packing density range from 0.1 % to 50 % and a fiber diameter range from 0.03 to 20 µm, leading to fiber Knudsen numbers between 0.007 and 4. An experimental validation was also performed on five commercial fibrous media and on data from the literature.</div
Prevention of hypoacusis after radiochemotherapy for head and neck squamous cell carcinoma
No full textInternational audienceObjective: Treatment of head and neck cancers is based on many schemes, and in the case of radiochemotherapy, the main side effect impacting a patient's quality of life is hypoacusis. Its prevention and analysis are consequently essential.Methods: A total of 118 patients who underwent chemotherapy and/or radiotherapy received follow-up care with audiometric tests. Corticosteroid therapy began during the treatment.Results: At the end of the radiochemotherapy cycles and after corticosteroid therapy, 58 % of patients recovered 40 dB on average, and 42 % achieved total resolution of hypoacusis.Conclusion: Prevention of the side effects of anticancer therapies is a major issue, and our study revealed the potential ability of corticosteroids to act as otoprotective drugs