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Sökning: WFRF:(Sinicropi A)

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1.
  • Coto, PB, et al. (författare)
  • Characterization of the conical intersection of the visual pigment rhodopsin at the CASPT2//CASSCF/AMBER level of theory
  • 2006
  • Ingår i: Molecular Physics. - : Informa UK Limited. - 1362-3028 .- 0026-8976. ; 104:5-7, s. 983-991
  • Tidskriftsartikel (refereegranskat)abstract
    • The branching plane associated with the conical intersection controlling the photochemical Z -> E isomerization reaction of rhodopsin has been mapped using a CASPT2//CASSCF/ AMBER quantum mechanics-molecular mechanics method. The nature of the derivative coupling and gradient difference vectors spanning the branching plane has been investigated, showing that the conical intersection is not only associated with the isomerization process but also to a charge transfer along the retinal backbone. Using a simple Landau-Zener model, the paper discusses the possible effects of the documented conical intersection topologies on the efficiency of the reactive process. It is argued that the peculiar shape of the conical intersection favours decay at structures that are geometrically displaced towards the photoproduct bathorhodopsin.
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2.
  • D'Ascenzi, F., et al. (författare)
  • Left atrial remodeling in patients undergoing transcatheter aortic valve implantation : a speckle tracking prospective study
  • 2013
  • Ingår i: European Heart Journal. - : Oxford University Press. - 0195-668X .- 1522-9645. ; 34:Supplement: 1, s. 338-338
  • Tidskriftsartikel (övrigt vetenskapligt/konstnärligt)abstract
    • Background: Aortic Stenosis (AS) results in several Left Ventricular (LV) disturbances as well as progressive Left Atrial (LA) enlargement and dysfunction. Transcatheter Aortic Valve Implantation (TAVI) reverses LV remodelling and improves overall systolic function but its effect on LA function remains undetermined. The aim of this prospective study was toinvestigate the effects of TAVI on LA structure and function.Material and methods: We studied thirty-two patients with severe symptomatic AS and high surgical risk who underwent TAVI, using standard and 2-dimensional speckle-tracking echocardiography before, at 40-day and at 3-month follow-up.Results: Following TAVI, mean transvalvular gradient reduced (p<0.001). Both LA mean area index and LA mean volume index decreased at 40-day (16.2±6.4 vs. 12.5±2.9 cm2/m2, and 47.3±12.0 vs. 42.8±12.5 mL/m2, respectively, p<0.05) and values remained unchanged at 3 months. The reduction of LA size was accompanied by a significant increase in global PALS (14.4±3.9% vs. 19.1±4.7%, p<0.001) and global PACS (8.4±2.5% vs. 11.0±4.1%, p<0.05) at 3-month. After the procedure, LA stiffness measurements decreased and became significant at 3-month follow up (p<0.001). Pre-procedural trans-aortic mean gradient and pre-procedural LA volume were identified as predictors of global PALSincrease (p<0.0001) while the delta drop in trans-aortic mean gradient as predictors of LA volume index reduction 3 months after TAVI (p<0.0001).Conclusion: TAVI is associated with significant recovery of LA structure and function suggesting a reverse cavity remodelling. Such functional recovery is determined by the severity of pre-procedural valve stenosis.
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