University of Lorraine

About: University of Lorraine is a education organization based out in Nancy, France. It is known for research contribution in the topics: Population & Context (language use). The organization has 11942 authors who have published 25010 publications receiving 425227 citations. The organization is also known as: Lorraine University.

A micropolar anisotropic constitutive model of cancellous bone from discrete homogenization.

Abstract: Cosserat models of cancellous bone are constructed, relying on micromechanical approaches in order to investigate microstructure-related scale effects on the macroscopic properties of bone. The derivation of the effective mechanical properties of cancellous bone considered as a cellular solid modeled as two-dimensional lattices of articulated beams is presently investigated. The cell walls of the bone microstructure are modeled as Timoshenko thick beams. The asymptotic homogenization technique is involved to get closed form expressions of the equivalent properties versus the geometrical and mechanical microparameters, accounting for the effects of bending, axial, and transverse shear deformations. Considering lattice microrotations as additional degrees of freedom at both the microscopic and macroscopic scales, an anisotropic micropolar equivalent continuum model is constructed, the effective mechanical properties of which are identified. The effective elastic moduli of various periodic cell structures are computed in situations of low and high effective densities to assess the impact of the transverse shear deformation. The stress distribution in a cracked bone sample is computed based on the effective micropolar model, highlighting the regularizing effect of the Cosserat continuum in comparison to a classical elasticity continuum model.

Modeling the solubility of carbon dioxide in imidazolium-based ionic liquids with the PC-SAFT equation of state.

Abstract: The goal of this work was to check the ability of the PC-SAFT equation to represent the solubility of carbon dioxide (CO2) in ionic liquids. Parameters of pure imidazolium-based ionic liquids were estimated using experimental densities over a large range of temperatures and then correlated with respect to the molecular weight and structure of the solvents. It was found that such a correlation is able to predict the density with high accuracy. The solubility of carbon dioxide in such ionic liquids was then studied. The binary interaction parameter kij needed for the representation of such binary systems was first fitted to experimental liquid–vapor equilibria data. In a second step, a correlation based on the group contribution concept was developed to determine this temperature-dependent parameter. The ability of the model to describe accurately carbon dioxide solubility in imidazolium-based ionic liquids is demonstrated.

Long-term prognosis of patients with pediatric pheochromocytoma.

Abstract: A third of patients with paraganglial tumors, pheochromocytoma, and paraganglioma, carry germline mutations in one of the susceptibility genes, RET, VHL, NF1, SDHAF2, SDHA, SDHB, SDHC, SDHD, TMEM127, and MAX. Despite increasing importance, data for long-term prognosis are scarce in pediatric presentations. The European-American-Pheochromocytoma-Paraganglioma-Registry, with a total of 2001 patients with confirmed paraganglial tumors, was the platform for this study. Molecular genetic and phenotypic classification and assessment of gene-specific long-term outcome with second and/or malignant paraganglial tumors and life expectancy were performed in patients diagnosed at <18 years. Of 177 eligible registrants, 80% had mutations, 49% VHL, 15% SDHB, 10% SDHD, 4% NF1, and one patient each in RET, SDHA, and SDHC. A second primary paraganglial tumor developed in 38% with increasing frequency over time, reaching 50% at 30 years after initial diagnosis. Their prevalence was associated with hereditary disease (P=0.001), particularly in VHL and SDHD mutation carriers (VHL vs others, P=0.001 and SDHD vs others, P=0.042). A total of 16 (9%) patients with hereditary disease had malignant tumors, ten at initial diagnosis and another six during follow-up. The highest prevalence was associated with SDHB (SDHB vs others, P<0.001). Eight patients died (5%), all of whom had germline mutations. Mean life expectancy was 62 years with hereditary disease. Hereditary disease and the underlying germline mutation define the long-term prognosis of pediatric patients in terms of prevalence and time of second primaries, malignant transformation, and survival. Based on these data, gene-adjusted, specific surveillance guidelines can help effective preventive medicine.

Low-temperature chlorite geothermometry: a graphical representation based on a T–R2+–Si diagram

Abstract: The chlorites are good indicators of rock history because their wide compositional variations are sensitive to the formation conditions, like pressure ( P ), temperature ( T ), redox state, fluid composition. Accordingly, many geothermometers based on their composition, either empirically or thermodynamically, have been proposed during the last 30 years, especially in low-temperature contexts ( T < 350°C). This paper presents a graphical tool that considerably facilitates the use of two of the most recent chlorite thermometers for low- and very-low- T chlorites. The temperature–composition relationships for low- T chlorites are represented in T –Si– R2+ diagrams, allowing chlorite compositions to be predicted as a function of temperature or, conversely, temperature to be estimated from compositional fields of natural chlorites. This graphical projection is based on a comparison of the parameters (ideal chlorite compositions and calculated T ) predicted by geothermometers with analyses of natural chlorites for which independent T estimates are available over a range of geological environments. The new T –Si– R2+ diagram provides a practical tool for thermometric purposes in the applicability range of the considered models, in particular for diagenesis and low-grade metamorphism.

Theoretical modeling of large molecular systems. Advances in the local self consistent field method for mixed quantum mechanics/molecular mechanics calculations.

Abstract: Molecular mechanics methods can efficiently compute the macroscopic properties of a large molecular system but cannot represent the electronic changes that occur during a chemical reaction or an electronic transition. Quantum mechanical methods can accurately simulate these processes, but they require considerably greater computational resources. Because electronic changes typically occur in a limited part of the system, such as the solute in a molecular solution or the substrate within the active site of enzymatic reactions, researchers can limit the quantum computation to this part of the system. Researchers take into account the influence of the surroundings by embedding this quantum computation into a calculation of the whole system described at the molecular mechanical level, a strategy known as the mixed quantum mechanics/molecular mechanics (QM/MM) approach.The accuracy of this embedding varies according to the types of interactions included, whether they are purely mechanical or classically electr...