New spiropyrrolothiazole derivatives bearing an oxazolone moiety as potential antidiabetic agent: Design, synthesis, crystal structure, Hirshfeld surface analysis, ADME and molecular docking studies
In a sustained search for novel and effective antihyperglycemics, a new series of fifteen isomeric oxazolone-fused dispiropyrrolothiazoles resulting from one-pot three component reaction between L-4-thiazolidine carboxylic acid, arylidene-oxazolones and isatin (or acenaphthenequinone) has been ...
Antimicrobial Activity and DFT Studies of a Novel Set of Spiropyrrolidines Tethered with Thiochroman-4-one/Chroman-4-one Scaffolds
A novel series of 14 spiropyrrolidines bearing thiochroman-4-one/chroman-4-one, and oxindole/acenaphthylene-1,2-dione moieties were synthesized and characterized by spectroscopic techniques, as well as by three X-ray diffraction studies, corroborating the stereochemistry. Quantum chemical ...
Climate projection over France (8 km resolution) CMIP5
The set of climate projections available corresponds to the GCM (Global Circulation Model) data from CMIP5 (Coupled Model Intercomparison Project; Taylor et al., 2012) used in the fifth IPCC report. A total of 23 GCMs from 16 different institutions were downloaded on the ESGF (Earth System Grid ...
WRF-CORDEX simulations on the Mediterranean domain MED-44
WRF-CORDEX simulations on the Mediterranean MED-44 domain at 44 kms resolution. The version of the WRF model is 3.8.1 (Advance Research WRF dynamics (Skamarock et al 2008.)) forced by ERA-interim for the control run and CCSM4 for the scenarios. 4 sets of data are therefore available: the control run ...
WRF-CORDEX simulations on the Europe domain EUR-44
WRF-CORDEX simulations on the European EUR-44 domain at 44 kms resolution. The version of the WRF model is 3.8.1 (Advance Research WRF dynamics (Skamarock et al 2008.)) forced by ERA-interim for the control run and CCSM4 for the scenarios. 4 sets of data are therefore available: the control run over ...
Continuous regional climate change projection for France
This data-set concerns the regionalization at 12km resolution of the two Radiative Pathways Projection RCP4.5 and RCP8.5 simulated by the CCSM4 Earth System Model. This dynamic downscaling experiment uses the ARW/WRF model version 3.8.1 run in climate mode. The simulation were conducted by the CRC ...
Downscaling CMIP5 climate projections over the Mont-Blanc Massif at a 200-m resolution
Statistical downscaling of outputs (daily minimum and maximum air temperature at 2-m) of 13 Earth System Models (simulations: HIST period 1950-2006; RCP2.6 and RCP8.5 period 2006-2100) at a 200-m resolution over and around the Mont-Blanc Massif (Western Europe, border between France and Italy and ...
Googlomics: Inferring hidden causal relations between pathway members using reduced Google matrix of directed biological networks
Signaling pathways represent parts of the global biological network which connects them into a seamless whole through complex direct and indirect (hidden) crosstalk whose structure can change during normal development or in a pathological conditions such as cancer. Advanced methods for ...
Van't Hoff law for temperature dependent Langmuir constants in clathrate hydrate nanocavities.
This work gives a set of parameters of van't Hoff law expression for calculating Langmuir constants of different gas species to determine their occupancy in clathrate hydrates in a temperature range 50 – 300 K. The van't Hoff law's parameters are derived from potential energy calculations using a ...
Regional desert dust and climate modeling in North Equatorial Africa : a 21-year WRF-CHIMERE simulation exercise
CHIMERE is a chemistry-transport model recently implemented in our laboratory. CHIMERE is able to model all kind of gaseous and aerosol species, the version used here being specifically adapted to simulate the emissions, transport and deposition of desert dust. We used two nested domains, namely ...
Climate simulations at a kilometer scale over the Mont-Blanc
Ten-member ensemble simulations performed over the Mont-Blanc massif with the ARW/WRF regional climate model, period 1979-2012, forced by ERA-Interim reanalyses
Hydrology, Climate Change, Adaptation, Water Resource in Burgundy (HYCCARE-Burgundy)
Dynamical climate downscaling is realized using the WRF Regional Climate Model at 48km and 12km resolution respectively for Burgundy region. Climate simulations are used to feed the hydrological model GR4J towards the simulation of water ressource trends for 13 watersheds. Climate simulation ...
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