Van der Waals induced polarization of molecules adsorbed on small metallic spheres : anisotropy and nonlocality effects

The calculation of Van der Waals induced polarization of molecules interacting with small metallic spheres is based on the spherical-tensor theory by using the response field susceptibility of the sphere. The first Euler angle appearing in the expression giving this polarization exhibits the anisotropy of the molecule. In order to illustrate the non locality and anisotropy effects as well as the importance of the metallic sphere curvature on the induced polarization magnitudes, we present numerical results for typical systems (HF, HCl) on (Ag, Al and Cu).The calculation of Van der Waals induced polarization of molecules interacting with small metallic spheres is based on the spherical-tensor theory by using the response field susceptibility of the sphere. The first Euler angle appearing in the expression giving this polarization exhibits the anisotropy of the molecule. In order to illustrate the non locality and anisotropy effects as well as the importance of the metallic sphere curvature on the induced polarization magnitudes, we present numerical results for typical systems (HF, HCl) on (Ag, Al and Cu)

Reponses Of A Metallic Bubble: A Self-Consistent Calculation Including Correlation And Exchange Effects

The Van der Waals energy of molecules interacting with metallic bubbles is determined from spherical-tensor theory by using the response field susceptibility of the spherical bubble. The correlation and exchange effects of the electron response inside the metal are included by using the local density approximation (LDA). The dependence of the Van der Waals energy on the first Euler angle is manifestation of the anisotropy of the interaction. In order to illustrate the non-locality and the correlation and exchange effects as well as the importance of the spherical bubble curvature and anisotropy of the interaction on the potential magnitudes, we present numerical results for typical systems (HF,HCl) molecules on (Ag,Al) surfaces.The Van der Waals energy of molecules interacting with metallic bubbles is determined from spherical-tensor theory by using the response field susceptibility of the spherical bubble. The correlation and exchange effects of the electron response inside the metal are included by using the local density approximation (LDA). The dependence of the Van der Waals energy on the first Euler angle is manifestation of the anisotropy of the interaction. In order to illustrate the non-locality and the correlation and exchange effects as well as the importance of the spherical bubble curvature and anisotropy of the interaction on the potential magnitudes, we present numerical results for typical systems (HF,HCl) molecules on (Ag,Al) surfaces

Deep vein thrombosis risk stratification in intensive care unit patients: a pressing need

Background: Risk stratification of deep vein thrombosis in patients admitted to ICU and incorporating DVT risk assessment score as a regular practice were the aim of the present study.Methods: This study was carried out in 67 patients admitted in ICU >18 years of age, over one year. Patients with confirmed DVT, <48 hours of stay, thrombocytopenia, diagnosed coagulation disorders, those who have received DVT prophylaxis in last 1 month and those with active bleeding were excluded. It was a cross sectional observational study. A SMART assessment score and pretest probability scoring card was used. Mechanical or pharmacological prophylaxis was given to those with moderate and high risk for DVT.Results: As per SMART assessment score 4.5%, 41.8%, 6% and 23.9% had no, moderate, high and highest risk of developing DVT. As per the pretest probability scores 76%, 20.9% and 3% were in low, moderate and high-risk group. Both scoring systems are comparable (p=0.001). There was significant association between paralysis (p value was 0.003), central venous access (p value was 0.006), patient bed ridden for >72 hours (p value was 0.009) and risk group.Conclusions: Prolonged bed rest, paralysis and central venous access are the most important contributing conditions for high risk of DVT. Risk stratification should be routinely performed in ICU.  SMART assessment tool and pre-test probability scores are both equally efficacious in identifying high risk patients for DVT. Both mechanical and pharmacological means of DVT prophylaxis are equally effective in preventing DVT

Self-consistent study of the electromagnetic coupling between a thin probe tip and a surface: implication for atomic-force and near-field microscopy

International audienceA self-consistent formalism based on the use of response functions is developed in order to describe the dispersion equation governing the electromagnetic coupling between a dielectric tip of arbitrary shape and a rough surface. An advantage of such a calculation lies in the possibility of simulating dielectric tips without introducing boundary conditions at the surface of the detector. Connecting with atomic-force microscopy (AFM) and near-field detection with nanometer-size probe will be discussed in this context

NEW CALCULATIONS AND HIGH-TEMPERATURE MEASUREMENTS OF H2OH_{2}O COLLISIONAL-BROADENING

$^{1}$ B. Labani, J. Bonamy, D. Robert, J. M. Hartmann, and J. Taine, in press at J. Chem. Phys. Address of Hartmann and Taine: Labortioire d'Energ\'{e}tique Mol\'{e}culaire et Macroscopique, Combustion, Ecole Centralc des Arts et Manufactures, Grande voie des vignes, 92295 Chatenay-Malabry, France. Address of Bonamy, Labani and Robert: Laboratoire de Physique mol\'{e}culaire, Facult\'{e} des Sciences et Techniques. 25030 Besan\'con Cedex, France.Author Institution:Comparisons between available room temperature infrared experimental $H_{2}O$ line-widths and results of a recent semi-classical $model^{1}$ developped by the authors are presented. The latter, contrarily to these generally used up to now for $H_{2}O$ collisional-broadening, provides a satisfactory treatment of close collisions through modelings of both trajectory modifications and short-range potential contributions; these improvements are demonstrated by the accurate results obtained for $N_{2}$-broadening of high rotational quantum number lines and for the broadenings associated to weakly $(O_{2})$ or non-polar (Ar) perturbers. Accurate diode-laser measurements of $H_{2}O$ infrared line-parameters in the 400-900 K temperature range are also presented. The measured self- and $N_{2}$-broadened widths of some high rotational quantum number lines show unusually slow decreasings with temperature. Detailed analysis of the data demonstrates the great influence of a ``resonance overtaking'' mechanism. The latter is well accounted for by our model and results from the modifications of both the velocities and perturber revibrational populations distributions with temperature