[The role of hyponatremia in the rapid onset of coma after Cyclophosphamide].

Introduction: Cyclophosphamide is an alkylating agent used in routine pulmonary practice, particularly in the management of connectivitis-related diffuse interstitial lung disease. Common side effects are gastrointestinal disorders and immunosuppression, and a sudden and exceptional adverse effect is severe hyponatremia.

Observation: A 78-year-old female patient treated for NSIP-OP in the context of an anti-synthetase syndrome was treated with Cyclophosphamide 15mg/kg.

2010 French SPILF-AFSSAPS guiding criteria for Streptococcuspneumoniae acute community-acquired pneumonia: Evaluation in patients of the PACSCAN-ESCAPED cohort.

Objective: To assess the proportion of patients meeting the 2010 SPILF-AFSSAPS guiding criteria for Streptococcuspneumoniae in patients consulting at the emergency departments of four French university hospitals for acute community-acquired pneumonia (CAP) suspicion.

Patients And Methods: The PACSCAN study prospectively included 319 patients. Medical history, clinical, biological, and radiological presentations were collected.

Allergy Evaluation of Hypersensitivity to Platinum Salts and Taxanes: A Six-Year Experience.

Background: Hypersensitivity reactions (HSRs) to platinum salts (PS) and taxanes (TX) are a challenge to cancer management. Allergy evaluation based on skin tests (ST) and graded challenges can provide a diagnosis of an allergy to a suspected drug and indicate possible treatment with alternative same-class drugs.

Objective: This study aimed to estimate the negative predictive value of ST in the diagnosis of HSRs to TX and PS.

Isotope effect on hydrogen bond symmetrization in hydrogen and deuterium fluoride crystals by molecular dynamics simulation.

The isotope effect on the collective proton/deuteron transfer in hydrogen and deuterium fluoride crystals has been investigated at 100 K by ab initio quantum-thermal-bath path-integral molecular dynamics (QTB-PIMD) simulation. The deuterons within a planar zigzag chain of the orthorhombic structure simultaneously flip between covalent and hydrogen bonds due to the barrier crossing through tunnelling. The height of the corresponding static barrier normalized for one deuteron is 29.

Zero-Point Energy Leakage in Quantum Thermal Bath Molecular Dynamics Simulations.

The quantum thermal bath (QTB) has been presented as an alternative to path-integral-based methods to introduce nuclear quantum effects in molecular dynamics simulations. The method has proved to be efficient, yielding accurate results for various systems. However, the QTB method is prone to zero-point energy leakage (ZPEL) in highly anharmonic systems.

Quantum Thermal Bath for Path Integral Molecular Dynamics Simulation.

The quantum thermal bath (QTB) method has been recently developed to account for the quantum nature of the nuclei by using standard molecular dynamics (MD) simulation. QTB-MD is an efficient but approximate method when dealing with strongly anharmonic systems, while path integral molecular dynamics (PIMD) gives exact results but in a huge amount of computation time. The QTB and PIMD methods have been combined in order to improve the PIMD convergence or correct the failures of the QTB-MD technique.

Isotope effects in lithium hydride and lithium deuteride crystals by molecular dynamics simulations.

Molecular dynamics (MD) simulations have been carried out to study isotope effects in lithium hydride and lithium deuteride crystals. Quantum effects on nuclear motion have been included through a quantum thermal bath (QTB). The interatomic forces were described either within the density functional theory (DFT) in the generalized gradient approximation (GGA) or by the phenomenological approach using the shell model.

Saturation of the ion-hammering effect for large non-hydrostatic capillarity stresses in colloidal silica nanoparticles.

We investigate the role of capillarity stresses on the ion-hammering phenomenon when sub-micrometer colloidal particles are considered. To this end, nearly monodisperse, chemically synthesized silica (SiO₂) colloids (100, 300 and 600 nm) were irradiated at room temperature (300 K) with 4 MeV Au ions for fluences up to Φ = 1.8 × 10¹⁶ cm⁻².

Thermodynamics and kinetics of the Schottky defect at terraces and steps on the MgO(001) surface.

The Schottky defects at both the flat MgO(001) surface and the monatomic-step edge have been investigated by equilibrium molecular dynamics simulations. The formation enthalpy as a function of the distance between the Mg and O vacancies that form a Schottky defect have been calculated and discussed. We conclude that a step edge is a stable location for a vacancy.

Quantum thermal bath for molecular dynamics simulation.

Molecular dynamics (MD) is a numerical simulation technique based on classical mechanics. It has been taken for granted that its use is limited to a large temperature regime where classical statistics is valid. To overcome this limitation, the authors introduce in a universal way a quantum thermal bath that accounts for quantum statistics while using standard MD.

Competing mechanisms in the atomic diffusion of a MgO admolecule on the MgO(001) surface.

The diffusion mechanism of a MgO admolecule on a flat MgO(001) surface has been investigated by equilibrium molecular dynamics simulation. Care has been taken in the choice of the phenomenological interionic potential used. Four distinct mechanisms have been found and the corresponding dynamical barriers determined at high temperature.

Effects of localization of the semicore density on the physical properties of transition and noble metals.

We use density functional theory to study the density of the 3sp semicore states in transition and noble metals. The first objective is to understand how semicore states influence cohesive properties which mainly depend on the valence density. We define a localization radius for the semicore density which is found to be a crucial parameter and to heavily influence the cohesive properties.