Electronic energies and elastic constants of four amino functionalized MIL-47(V) supercells were computed using plane wave density functional theory to determine the influence of the substituent positions on the organic linker. An inverse relationship between the ab initio energies and the elastic constants was found, indicating that the high electronic stability correlates with high mechanical...

This study aimed to investigate the adsorption of CH4, CO2, H2S at a temperature of 298.15 K and pressurerange of 0.1 to 30 atm, and compare the results with experimental data for MIL-47 using GCMC. Themaximum CH4, CO2 and H2S adsorptions were 3.6, 10.45, and 12.57 mol.kg-1, respectively. In addition, theselectivity for binary mixtures of CH4/CO2 and CH4/H2S was calculated. Th...

The remarkable catalytic activity of the saturated metal organic framework MIL-47 in the epoxidation of cyclohexene is elucidated by means of both experimental results and theoretical calculations.

We cloned the sequence encoding murine interleukin-4 (mIL-4), including the secretory signal, into the genome of CVB3/0, an artificially attenuated strain of coxsackievirus B3, at the junction of the capsid protein 1D and the viral protease 2Apro. Two strains of chimeric CVB3 were constructed using, in one case, identical sequences to encode 2Apro cleavage sites (CVB3/0-mIL4/47) on either side ...

A new class of microporous adsorbents, the metal-organic frameworks was recently developed. Despite their promising characteristics, not much is known about their adsorption behaviour, certainly for mixtures. In this work, vapour and gas phase adsorption and separation of (i) linear and branched alkanes, cyclohexane and benzene, (ii) C8 alkylaromatic compounds and (iii) CO2 and CH4 is studied o...

We performed ab initio calculations of the elastic constants of five flexible metal-organic frameworks (MOFs): MIL-53(Al), MIL-53(Ga), MIL-47, and the square and lozenge structures of DMOF-1. Tensorial analysis of the elastic constants reveals a highly anisotropic elastic behavior, some deformation directions exhibiting very low Young's modulus and shear modulus. This anisotropy can reach a 400...

Five protective garments (light summer clothing L, high visibility clothing HV, military clothing MIL, climber coverall CLM and firefighting clothing FIRE) were assessed on eight unacclimated male subjects at two environments: moderate warm environment with high humidity (MWH, 20.0°C, 86% relative humidity) and warm environment with moderate humidity (WMH, 30.0°C, 47% relative humidity). The th...