42 research outputs found

    Post-COVID-19 interstitial lung disease: Insights from a machine learning radiographic model

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    IntroductionPost-acute sequelae of COVID-19 seem to be an emerging global crisis. Machine learning radiographic models have great potential for meticulous evaluation of post-COVID-19 interstitial lung disease (ILD).MethodsIn this multicenter, retrospective study, we included consecutive patients that had been evaluated 3 months following severe acute respiratory syndrome coronavirus 2 infection between 01/02/2021 and 12/5/2022. High-resolution computed tomography was evaluated through Imbio Lung Texture Analysis 2.1.ResultsTwo hundred thirty-two (n = 232) patients were analyzed. FVC% predicted was ≥80, between 60 and 79 and <60 in 74.2% (n = 172), 21.1% (n = 49), and 4.7% (n = 11) of the cohort, respectively. DLCO% predicted was ≥80, between 60 and 79 and <60 in 69.4% (n = 161), 15.5% (n = 36), and 15.1% (n = 35), respectively. Extent of ground glass opacities was ≥30% in 4.3% of patients (n = 10), between 5 and 29% in 48.7% of patients (n = 113) and <5% in 47.0% of patients (n = 109). The extent of reticulation was ≥30%, 5–29% and <5% in 1.3% (n = 3), 24.1% (n = 56), and 74.6% (n = 173) of the cohort, respectively. Patients (n = 13, 5.6%) with fibrotic lung disease and persistent functional impairment at the 6-month follow-up received antifibrotics and presented with an absolute change of +10.3 (p = 0.01) and +14.6 (p = 0.01) in FVC% predicted at 3 and 6 months after the initiation of antifibrotic.ConclusionPost-COVID-19-ILD represents an emerging entity. A substantial minority of patients presents with fibrotic lung disease and might experience benefit from antifibrotic initiation at the time point that fibrotic-like changes are “immature.” Machine learning radiographic models could be of major significance for accurate radiographic evaluation and subsequently for the guidance of therapeutic approaches

    Molecular dynamic simulation of microscopic structure and psysicochemical properties of elastometric polymers

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    The aim of this thesis is the development and the implementation of a new realistic united atom molecular model for the prediction of thermodynamic microscopic structure and transport properties of PDMS, PDMSM, PDMSTM, poly(DMSM-alt-DMSTM) and PIB. The motivation behind this work was the increased use of polymeric membranes in a wide range of applications and the investigation of polymers that reveal interesting transport properties. Force field development was based on quantum mechanics calculations and on literature volumetric data. Molecular Dynamics simulations were performed for the prediction of important properties of pure polymer melts at various conditions. In all cases very good agreement with experiments was observed. Extensive MD simulations were performed for the estimation of the diffusion coefficient of alkanes and binary alkane mixtures in PDMS. Furthermore, the effect of penetrant concentration on the diffusion value was examined.Η παρούσα διδακτορική διατριβή αποσκοπεί στην ανάπτυξη και στην εφαρμογή ενός νέου ρεαλιστικού μοριακού μοντέλου για την πρόβλεψη των θερμοδυναμικών, δομικών και ιδιοτήτων μεταφοράς τηγμάτων PDMS, PDMSM, PDMTH, poly(DMSM-alt-DMSTM) και PIB. Το κίνητρο που μας οδήγησε στη μελέτη αυτών των συστημάτων είναι αφενός ότι η επιστήμη των μεμβρανών είναι ένα επεκτεινόμενο πεδίο και αφετέρου διότι κρίθηκε σκόπιμο να μελετηθούν οι ιδιότητες υλικών που επιδεικνύουν υποσχόμενες ιδιότητες μεταφοράς. Η παραμετροποίηση του πεδίου δυνάμεων βασίσθηκε σε κβαντομηχανικούς υπολογισμούς και σε βιβλιογραφικά ογκομετρικά δεδομένα. Πραγματοποιήθηκαν εκτενείς προσομοιώσεις Μοριακής Δυναμικής για την πρόβλεψη σημαντικών ιδιοτήτων των καθαρών πολυμερικών τηγμάτων. Για όλα τα πολυμερή βρέθηκε καλή συμφωνία μεταξύ αποτελεσμάτων της προσομοίωσης και πειραματικών μετρήσεων. Για τον υπολογισμό του συντελεστή διάχυσης οι προσομοιώσει έγιναν στο NVT στατιστικό σύνολο. Επίσης, μελετήθηκε η εξάρτηση του συντελεστή διάχυσης από τη συγκέντρωση του διαχεόμενου μορίου και διενεργήθηκαν προσομοιώσεις μιγμάτων αλκανίων στο PDMS
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