Jean Monnet University

Abstract Self-Trapped Excitons (STEs) govern the optical and electronic response of silica, yet their formation mechanisms remain unclear due to the interplay of electronic relaxation, lattice distortion, and defect generation. To investigate STE formation under ultrafast photoexcitation, we combine adiabatic and non-adiabatic time-dependent density functional theory calculations with surface-hopping dynamics. We show that when atomic movement is constrained, excited electrons relax primarily through internal conversion and intersystem crossing. In contrast, fully unconstrained structures undergo Si–O bond breaking that creates localized defect states within the bandgap. We identify a STE level at 2.74 eV with a relaxation rate consistent with experimentally observed photoluminescence. Non-adiabatic population dynamics reveals that relaxation proceeds predominantly along the S2 → S1 → GS pathway, with triplet channels contributing only under specific structural conditions. The relaxation time of 353 fs is consistent with the experimentally fitted electron trapping time. Moreover, we show that electron-phonon coupling plays a crucial role in STE formation.

Acknowledgements We thank all the local investigators and assistant personnel for their great effort. Furthermore, we thank all the POTTER-AF collaborators.

To assess the real-world efficacy and safety of recombinant factor IX albumin fusion protein (rIX-FP) in patients with hemophilia B (HB) in France. Data on dosing frequency, weekly consumption, and bleeds before-and-after switching to rIX-FP, were collected from December 2021 to February 2024. Annualized (spontaneous) bleeding rates [A(s)BRs] were calculated only in patients on prophylaxis with a follow-up ≥ 6 months. This interim analysis focused on 77 patients ≥ 12 years; 62 (81%) had severe HB. After switching to rIX-FP, the infusion interval was 14 (7-14) days. Weekly consumption was 43 (35.5-53) IU/kg. ABRs and AsBRs were 0.5 (0-1.9) and 0 (0-0.7) (n = 63) at 18.2 (12.3-21.9) months of follow-up. Prophylactic efficacy of rIX-FP was considered 'Excellent'/'Good' in 65/68 (95%) patients. Among the 43 patients previously treated with rFIXFc, 21 increased the infusion interval from 7 (7-11) days with rFIXFc to 14 (7-14) days with rIX-FP; 33/43 (77%) reduced weekly factor IX (FIX) consumption from 59.95 (46.35-77.93) to 42.5 (35.88-50.25) IU/kg. Patients maintained good protection against bleeds. This analysis confirmed that switching to rIX-FP allows for reducing injection frequency and FIX consumption while maintaining good bleed protection.

Regular physical activity (PA) reduces morbidity and mortality in prostate cancer. Prescribing PA in cancer is a necessary awareness but is a real challenge in the case of prostate cancer. Motivational peer support seems to be an innovative strategy for lifestyle change. Therefore, we developed the Acti-Pair programme and demonstrated its feasibility. We want to evaluate its effectiveness in promoting PA in patients with prostate cancer. The Acti-Pair 2 study is an interventional, comparative, multicentre, randomised, stepped-wedge cluster study. The control group will consist of patients being followed for prostate cancer and receiving advice and recommendations for PA during consultations to make patients more active in their daily lives (=usual practice, PA to be performed independently at home). The intervention group will consist of patients being followed up for prostate cancer and benefiting from the Acti-Pair programme, which combines three interventions: (1) motivational support from a peer; (2) construction of a personalised and realistic project and (3) support from health and adapted PA professionals. This study will assess the effectiveness, implementation and efficiency of the Acti-Pair programme. It will allow the identification of key success factors for implementing the Acti-Pair programme to prepare for its transferability. Trial registration number: Clinical trial, NCT05739565, registered on 20 February 2023, https://clinicaltrials.gov/study/NCT05739565.

The development of high-performance biomedical implants requires a deep understanding of the molecular interactions between water molecules and titanium (Ti) surfaces. In this study, fully atomistic molecular dynamics simulations were used to study the static and dynamic wetting behavior of water nanodroplets on both flat and femtosecond laser-induced nanotextured Ti surfaces. Our findings reveal a clear transition from Wenzel to Cassie–Baxter wetting states as surface roughness increases, significantly affecting droplet spreading. We also observe the damping of nanodroplet vibrations and a roughness-dependent shift toward hydrophobicity, driven by stronger atomic interactions between water molecules and surface atoms. Furthermore, the interaction energy between water droplets and nanotextured Ti surfaces decreases with increasing roughness, reinforcing the observed changes in wettability. The discrepancies observed between classical wetting models and nanoscale behavior emphasize the limitations of current theoretical approaches and the importance of developing more advanced models. This study provides valuable insights into optimizing Ti surface properties for improved implant performance through controlled wettability.

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