MIL-91(Ti), a small pore metal-organic framework which fulfils several criteria : an upscaled green synthesis, excellent water stability, high CO2 selectivity and fast CO2 transport

The research leading to these results has received funding from the European Community Seventh Framework Program (FP7/2007-2013) [grant agreement number 608490] (project M4CO2) and from the ANR ‘CHESDENS’ (ANR-13-SEED-0001-01).A multidisciplinary approach combining advanced experimental and modelling tools was undertaken to characterize the promises of a small-pore type Ti-based metal-organic framework, MIL-91(Ti) for CO2 capture. This material was prepared using two synthesis strategies, i.e. under hydrothermal conditions and under reflux, and its single component adsorption behaviour with respect to CO2, CH4 and N2 was first revealed by gravimetry measurements. This hydrophilic and highly water stable MOF is characterized by a relatively high CO2 adsorption enthalpy. Molecular simulations combined with in situ powder X-ray diffraction evidenced that this is due to the combined interaction of this probe with N-H and P-O groups in the phosphonate linker. High CO2 selectivities in the presence of either N2 or CH4 were also predicted and confirmed by co-adsorption measurements. The possibility to prepare this sample under reflux represents an environmentally friendly route which can easily be upscaled. This green synthesis route, excellent water stability, high selectivities and relatively fast transport kinetics of CO2 are significant points rendering this sample of utmost interest for CO2 capture.PostprintPostprintPeer reviewe

Aspects of four-jet production in polarized proton-proton collisions

We examine the intrinsic spin-dependence of the dominant $gg \rightarrow gggg$ subprocess contribution to four-jet production in polarized proton-proton collisions using helicity amplitude techniques. We find that the partonic level, longitudinal spin-spin asymmetry, $\hat{a}_{LL}$, is intrinsically large in the kinematic regions probed in experiments detecting four isolated jets. Such events may provide another qualitative or semi-quantitative test of the spin-structure of QCD in planned polarized $pp$ collisions at RHIC.Comment: 9 pages, LaTeX, 2 uuencoded postscript files attache

Allelopathic Effects of Water Hyacinth [Eichhornia crassipes]

Eichhornia crassipes (Mart) Solms is an invasive weed known to out-compete native plants and negatively affect microbes including phytoplankton. The spread and population density of E. crassipes will be favored by global warming. The aim here was to identify compounds that underlie the effects on microbes. The entire plant of E. crassipes was collected from El Zomor canal, River Nile (Egypt), washed clean, then air dried. Plant tissue was extracted three times with methanol and fractionated by thin layer chromatography (TLC). The crude methanolic extract and five fractions from TLC (A–E) were tested for antimicrobial (bacteria and fungal) and anti-algal activities (green microalgae and cyanobacteria) using paper disc diffusion bioassay. The crude extract as well as all five TLC fractions exhibited antibacterial activities against both the Gram positive bacteria; Bacillus subtilis and Streptococcus faecalis; and the Gram negative bacteria; Escherichia coli and Staphylococcus aureus. Growth of Aspergillus flavus and Aspergillus niger were not inhibited by either E. crassipes crude extract nor its five fractions. In contrast, Candida albicans (yeast) was inhibited by all. Some antialgal activity of the crude extract and its fractions was manifest against the green microalgae; Chlorella vulgaris and Dictyochloropsis splendida as well as the cyanobacteria; Spirulina platensis and Nostoc piscinale. High antialgal activity was only recorded against Chlorella vulgaris. Identifications of the active antimicrobial and antialgal compounds of the crude extract as well as the five TLC fractions were carried out using gas chromatography combined with mass spectroscopy. The analyses showed the presence of an alkaloid (fraction A) and four phthalate derivatives (Fractions B–E) that exhibited the antimicrobial and antialgal activities

Modeling adsorption in metal-organic frameworks with open metal sites : propane/propylene separations

We present a new approach for modeling adsorption in metal-organic frameworks (MOFs) with unsaturated metal centers and apply it to the challenging propane/propylene separation in copper(II) benzene-1,3,5-tricarboxylate (CuBTC). We obtain information about the specific interactions between olefins and the open metal sites of the MOP using quantum mechanical density functional theory. A proper consideration of all the relevant contributions to the adsorption energy enables us to extract the component that is due to specific attractive interactions between the pi-orbitals of the alkene and the coordinatively unsaturated metal. This component is fitted using a combination of a Morse potential and a power law function and is then included into classical grand canonical Monte Carlo simulations of adsorption. Using this modified potential model, together with a standard Lennard-Jones model, we are able to predict the adsorption of not only propane (where no specific interactions are present), but also of propylene (where specific interactions are dominant). Binary adsorption isotherms for this mixture are in reasonable agreement with ideal adsorbed solution theory predictions. We compare our approach with previous attempts to predict adsorption in MOFs with open metal sites and suggest possible future routes for improving our model