Simple scoring system to predict in-hospital mortality after surgery for infective endocarditis

BACKGROUND: Aspecific scoring systems are used to predict the risk of death postsurgery in patients with infective endocarditis (IE). The purpose of the present study was both to analyze the risk factors for in-hospital death, which complicates surgery for IE, and to create a mortality risk score based on the results of this analysis. METHODS AND RESULTS: Outcomes of 361 consecutive patients (mean age, 59.1\ub115.4 years) who had undergone surgery for IE in 8 European centers of cardiac surgery were recorded prospectively, and a risk factor analysis (multivariable logistic regression) for in-hospital death was performed. The discriminatory power of a new predictive scoring system was assessed with the receiver operating characteristic curve analysis. Score validation procedures were carried out. Fifty-six (15.5%) patients died postsurgery. BMI >27 kg/m2 (odds ratio [OR], 1.79; P=0.049), estimated glomerular filtration rate 55 mm Hg (OR, 1.78; P=0.032), and critical state (OR, 2.37; P=0.017) were independent predictors of in-hospital death. A scoring system was devised to predict in-hospital death postsurgery for IE (area under the receiver operating characteristic curve, 0.780; 95% CI, 0.734-0.822). The score performed better than 5 of 6 scoring systems for in-hospital death after cardiac surgery that were considered. CONCLUSIONS: A simple scoring system based on risk factors for in-hospital death was specifically created to predict mortality risk postsurgery in patients with IE

La Municipalité cantonale de La Bassée 15 Brumaire, an IV - 11 Prairial, an VIII (7 novembre 1795 - 30 mai 1800)

Houriez C. La Municipalité cantonale de La Bassée 15 Brumaire, an IV - 11 Prairial, an VIII (7 novembre 1795 - 30 mai 1800) . In: Revue du Nord, tome 23, n°90, mai 1937. pp. 81-95

Spectroscopy of H2 physisorbed on a Cu(100) surface

International audienceRotation and vibration energy levels of a H2 molecule physisorbed on a Cu(100) surface are calculated, using a 2D potential energy function determined with high level electronic calculations and a cluster model to represent the Cu surface

Spectroscopie de H2 sur une surface métallique

International audienceIl est montré qu'en combinant des calculs hautement corrélés (CCSD(T) approche) d'un cluster métallique sur lequel intéragit une molécule de H2, puis une description périodique décrivant cette même interaction, on peut construire un potentiel corrigé par la méthode de l'embedding ONIOM. Le potentiel ainsi corrigé est utilisé dans un calcul de spectroscopie montrant un excellent accord avec les données expérimentales

Physisorbed H2atCu(100) surface : potential and spectroscopy

International audienceUsing an embedding approach, a 2D potential energy function has been calculated to describe the physisorption interaction of H2 with a Cu(100) surface. For this purpose, a cluster model of the system calculated with highly correlated wavefunctions is combined with a periodic DFT method using vdW-DF2 functional. Rotational and vibrational energy levels of physisorbed H2, as well as D2 and HD, are calculated using the 2D embedding corrected potential energy function. The calculated transitions are in a very good agreement with EELS observations.This contribution proposes a combined approach: cluster, periodic, embedded, to describe the physisorption potential of H2 on a metallic surface. The accuracy of the shape of the potential is checked by a spectroscopic analysis which agrees with experiment

Importance of a Nonlocal Description of Electron-Electron Interactions in Modeling the Dissociative Adsorption of H-2 on Cu(100)

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Ro-vibrational spectroscopy in reduced dimensionality of physisorbed H2 molecules on a metallic surface (Ag, Cu)

International audienceRo-vibrational energy levels of a H2 molecule physisorbed on a metallic surface (Ag or Cu) Cu(100) are calculated, using a 5D or 2D potential energy function determined at different levels of approximation: periodic or cluster representation of the system, DFT or highly correlated wavefunction description

Spectroscopy of physisorbed molecules

International audienceRo-vibrational energy levels of H 2 molecules physisorbed on a metallic surface (Ag (111) or Cu(100)) are calculated, using a 5D or 2D potential energy function determined at different levels of approximation: periodic or cluster representation of the system, DFT or highly correlated wavefunction description. In the physisorption domain, the weak interactions between the H 2 molecules and the metallic surface are governed by van der Waals (vdW) forces and it is well known that standard exchange-correlation functionals provide a poor description of such dispersion interactions. However, recent studies have shown that sophisticated DFT approaches can give promising outcomes for such difficult cases and some data for physisorption energy can be used, as recently shown, to adjust new DFT functionals. In recent theoretical studies on the H 2 /Cu system [1] using an embedding approach of a cluster model consisting of 22 Cu atoms, it has been shown that the chemisorption of H 2 can be satisfactorily reproduced. On the contrary, the description of the physisorption domain is more delicate. A good test of the accuracy of the potential energy function in this domain is the comparison with ro-vibrational spectroscopic data with EELS experiments [2]. The large rotational constant of H 2 associated with the anharmonic and anisotropic van der Waals potentials, results in a coupling between the rotation of H 2 and the stretching along the physisorption well. Such data exist for H 2 on Cu(100) and on Ag(111). Highly correlated electronic calculations on the cluster model have been performed with the 2012.1 version of the MOLPRO code using the coupled cluster CCSD(T) method. The embedding method has been applied within the ONIOM approach. The periodic calculations have been performed with DFT approach within the VASP code and various functionals. In our calculations, the center of mass of the H 2 molecule has been moved on the surface in the periodic approach, otherwise it was kept on the Z axis on top of the central Cu/Ag atom and the interatomic distance H-H was kept at the equilibrium geometry of the H 2 molecule, 0.74 Å. The 2D potential energy cuts were obtained by varying only the Z distance and the angle between 0 and 90 degree. The 5D potential energy cutes include the X and Y coordinates on the surface and the angle (helicopter rotation of H 2 parallel to the surface)

Investigation of the thermophysical properties of binary system CO 2 and Hydro-fluoro-olefins

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