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Paris, France

Chimie ParisTech also known as ENSCP or Chimie Paris is an elite chemical science and engineering college founded in 1896, located in the 5th arrondissement of Paris. Wikipedia.

Thomas C.M.,Ecole Nationale Superieure de Chimie de Paris
Chemical Society Reviews | Year: 2010

Synthesis of aliphatic polyesters has been studied intensively due to their biocompatible and biodegradable properties and their potential applications in medical and agricultural fields. There has been particular emphasis over the past decade on the synthesis of discrete, well-characterized complexes that are active polymerization initiators for the ring-opening polymerization (ROP) of lactide (LA) and β-butyrolactone (BBL) to give, respectively, poly(lactide) (PLA) and poly(3-hydroxybutyrate) (PHB). These recent advances in catalyst design have led to a variety of polyester microstructures. This tutorial review focuses on the use of metal-based complexes for the stereoselective ROP of rac-LA and rac-BBL. © 2010 The Royal Society of Chemistry. Source

Di Valentin C.,University of Milan Bicocca | Costa D.,Ecole Nationale Superieure de Chimie de Paris
Journal of Physical Chemistry C | Year: 2012

We report on a DFT study of the adsorption of n-butylphosphonic acid [CH 3(CH 2) 3PO(OH) 2] on the anatase (101) TiO 2 model surface. The pure GGA (PBE and rPBE) approach is compared to a hybrid functional (B3LYP). Dispersion forces are taken into account in the Grimme framework correcting both energies and gradients. The surface coverage is varied from 0.25 ML (one phosphonic unit every four surface Ti 5c) to 1 ML (one phosphonic unit/Ti 5c). The overall picture resulting from these three approaches is qualitatively the same, although quantitative details are different. At low coverage, the alkylphosphonic acid adsorbs in a monodissociated bidentate mode, forming two P=O-Ti 5c bonds with one additional OH-O s bond, where Ti 5c and O s refer to surface titanium and oxygen atoms. At full coverage, the molecules adsorb in a monodentate mode and reorient in order to minimize lateral repulsion and maximize H-bonds. The contribution of dispersion forces to the adsorption energy increases with the coverage. The 0.75 and 1 ML coverages, which are the most favored, correspond nicely to the reported experimental coverages. The results suggest that for entropic reasons the surface could be rather disordered, with coexisting domains of different coverages 0.75 and 1 ML. No additional states in the band gap of the semiconductors are formed for this hybrid organic-inorganic system. The workfunction decreases by 0.7 eV when a full self-assembled monolayer is supported on the surface. © 2012 American Chemical Society. Source

Jacquemin D.,University of Nantes | Adamo C.,Ecole Nationale Superieure de Chimie de Paris
Journal of Chemical Theory and Computation | Year: 2011

We have computed the bond length alternation (BLA) in a series of π-conjugated quasilinear chains containing from two to six unit cells. Several structures (eight oligomeric sets including three conformers of polyacetylene, polymethineimine, polysilaacetylene, etc.) have been considered to cover the possible evolutions of the BLA with increasing chain length. Three objectives have been tackled: (1) the computation of accurate reference values using the CCSD(T) theory; (2) an evaluation of the performances of other electron correlated wave function approaches (MPn, SCS-MP2, CCSD, etc.); (3) the benchmarking of several DFT functionals, including global, range-separated, and double hybrids. It turns out that the SCS-MP2 approach is, on average, an efficient scheme in terms of its accuracy/cost ratio. Among the selected DFT approaches, no single functional emerges as uniformly accurate for all oligomeric series and chain lengths, but BHHLYP, M06-2X, and CAM-B3LYP could be reasonable choices for long oligomers. © 2010 American Chemical Society. Source

Rimola A.,Autonomous University of Barcelona | Costa D.,Ecole Nationale Superieure de Chimie de Paris | Sodupe M.,Autonomous University of Barcelona | Lambert J.-F.,University Pierre and Marie Curie | Ugliengo P.,University of Turin
Chemical Reviews | Year: 2013

The physicochemical reasons behind the delicate equilibrium established between the adsorbed and the mobile phases are ultimately dictated by the specific interactions between silica surface functionalities and the adsorbate, resulting in different adsorption constants. There are many reasons to report on silica interacting with biomolecules. The most obvious one is that on the Earth's crust, oxygen and silicon are the most abundant atomic species, with percentages of 45.5% and 27.2%, respectively, which manifests itself in a large variety of silica and silicate minerals so that the contact between living matter and these materials is ubiquitous. The adsorption of other molecules, which are not rigorously biomolecules, has also been addressed in section 9, because their behaviors mimic that of residues to be found in real proteins. From the methodological point of view, only methods able to properly handle relatively weak intermolecular interactions should be adopted. Source

Varenne A.,Ecole Nationale Superieure de Chimie de Paris
TrAC - Trends in Analytical Chemistry | Year: 2013

Analytical sciences are increasingly related to recycling in line with two approaches:. (i)recycling for analytical chemistry (i.e. the design of green, sustainable processes);(ii)the contribution of analytical sciences to the characterization of products and processes during recycling, and the development of new analytical methodologies for recycling.Recent innovations in the literature are outlined. © 2013 Elsevier Ltd. Source

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