Electric vehicle energy model
The project is a simple electric vehicle energy model. It uses the fundamental principle of dynamics to determine the power profile seen by a battery cell for a given mission. The input data are GPX files of the actual path considered. They can also be replaced by a speed and slope profile. In the ...
dat@OSU
dat@OSU is a Metadata platform proposed by the Observatoire des Sciences de l’Univers Terre Homme Environnement Temps Astronomie (OSU THETA). It provides a description of digital data sets from scientific research led in the different laboratories and teams.
Model energetic macroscopic representation (EMR) of the Fuel Cell and leads to a so-called maximal control structure (MCS)
This modeling presents the control part of a proton exchange membrane fuel cell (PEMFC). The objective of the model is to represent the voltage control chain of the PEMFC. This model is based on an energetic macroscopic representation (EMR) of the fuel cell and then leads to a so-called maximum ...
4’-(N-(2-cyanoethyl)pyrrol-2-yl)-2,2’:6’,2’’-terpyridine
Data for the synthesis and caracterization of 4’-(N-(2-cyanoethyl)pyrrol-2-yl)-2,2’:6’,2’’-terpyridine.
4′-(N-(Propargyl)pyrrol-2-yl)-2,2′:6′,2′′-terpyridine
A new terpyridine molecule, bearing a N-propargylated pyrrole, was prepared and characterized. Its synthesis was based on a Krohnke-type reaction between 2-acetylpyridine and N-propargylpyrrole-2-carboxaldehyde in a basic medium. An allene-containing terpyridine was also obtained as a by-product.
Physicochemical characteristics of water and sediment - floodplains of the Ain, Doubs and Loue Rivers - 2015-2016
19 sites (16 wetlands and 3 rivers) with different physicochemical characteristics and distributed along three rivers (Ain, Doubs, and Loue) were sampled. The physicochemical characteristics of the wetlands were measured in situ or after laboratory analysis.
Physicochemical characteristics of water and sediment - Ain River floodplain - 2019-2020
34 sites (16 wetland sites, 15 river sites, and 3 groundwaters) distributed along the Ain River with different physicochemical characteristics were sampled. The physicochemical characteristics of the wetlands were measured in situ or after laboratory analysis.
1-{4-[(Hexyloxy)methyl]pyridin-2-yl}ethanone
A new member of the 2-acetylpyridine family has been prepared and characterized by NMR and IR spectroscopies.
Noise map Besançon 2008
Urban noise (road traffic, train traffic, pedestrian area, springs)
Modeling the aging of battery and fuel cell components in real use
These models are associated with the project AsDeCoEUR (Analyses De Composants Energétiques en Usage Réel). The project is based on a thesis work aiming at understanding the dynamic behavior, to study the aging and to estimate the health status of the battery and fuel cell energy components in real ...
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 ...
Synthesis, antidiabetic activity and molecular docking study of rhodanine-substitued spirooxindole pyrrolidine derivatives as novel α-amylase inhibitors
In a sustained search for novel α-amylase inhibitors for the treatment of type 2 diabetes mellitus (T2DM), we report herein the synthesis of a series of nineteen novel rhodanine-fused spiro[pyrrolidine-2,3′-oxindoles]. They were obtained by one-pot three component [3 + 2] cycloaddition of stabilized ...
Nitrogen Hydrate Cage Occupancy and Bulk Modulus Inferred from Density Functional Theory-Derived Cell Parameters
Gas clathrate hydrate solid materials, ubiquitous in nature as found either on the ocean floor, permafrost on the Earth, or in extraterrestrial planets and comets, are also technologically relevant, for example, in energy storage or carbon dioxide sequestration. Nitrogen hydrate, in particular, is ...
1-(4-Formyl-2,6-dimethoxyphenoxy)-4-chlorobut-2-yne
A reaction of biomass-derived aldehyde synringaldehyde and half an equivalent of 1,4-dichlorobut-2-yne was attempted in order to obtain a bis-aldehyde with an alkyne spacer. The reaction was carried out in a basic media to effect bis O-alkylation, as described in literature for the preparation of ...
4′-(5-Methylfuran-2-yl)-2,2′:6′,2″-terpyridine: A New Ligand Obtained from a Biomass-Derived Aldehyde with Potential Application in Metal-Catalyzed Reactions
The new ligand 4′-(5-methylfuran-2-yl)-2,2′:6′,2″-terpyridine (1) was prepared in one step from 2-acetylpyridine and 5-methylfurfural. The latter is an aldehyde that can be readily obtained from biomass. The new terpyridine molecule was characterized by 1H and 13C-NMR spectroscopy as well as by ...
Diversity-oriented Synthesis of Spiropyrrolo[1, 2-a]isoquinoline Derivatives via Diastereoselective and Regiodivergent Three-component 1,3-Dipolar Cycloaddition Reactions: In vitro and in vivo Evaluation of the Antidiabetic Activity of Rhodanine Analogues
An efficient diastereoselective route is developed to get access to novel spiropyrrolo[1,2-a]isoquinoline-oxindole skeletons by a one-potthree-component [3 + 2] cycloaddition reaction of (Z)-5-arylidene-1,3-thiazolidine-2,4-diones, isatin derivatives, and 1,2,3,4-tetrahydroisoquinoline (THIQ). ...
Control of Structures and Emission Properties of (CuI)n 2-Methyldithiane Coordination Polymers
A structurally unique and strongly luminescent nonporous 3D coordination polymer (CP) [Cu8I8(methyldithiane)4]n, CP3, has been prepared in a quasi-anticipated manner from 2-methyl-1,3-dithiane, L1, and CuI. This CP incorporates an unprecedented Cu8I8 cluster built upon two side-fused open cubanes. ...
A Fused Poly(truncated rhombic dodecahedron)-Containing 3D Coordination Polymer: A Multifunctional Material with Exceptional Properties
The design of new and inexpensive metal-containing functional materials is of great interest. Herein is reported a unique thermochromic near-IR emitting coordination polymer, 3D-[Cu8I8(L1)2]n, CP2, which is formed when ArS(CH2)4SAr (L1, Ar = 4-C6H4OMe) reacts with 2 equiv of CuI in EtCN. In MeCN, ...
4,4″-Dichloro-4′-(2-thienyl)-2,2′:6′,2″-terpyridine
A new thiophene-substituted terpyridine derivative has been prepared and characterized. This ligand features a thiophene heterocycle (as an electrochemically polymerizable unit) as well as two chlorine atoms for further functionalization.
4′-(N-(Propan-1,2-dienyl)pyrrol-2-yl)-2,2′:6′,2″-terpyridine
A new pyrrole-substituted terpyridine derivative that possesses an allene moiety was obtained as an “unexpected” sole product during an attempt to alkylate the N-atom of pyrrole with propargyl bromide in order to obtain an alkyne-functionalized terpyridine.
4′-(5-n-Propylthiophen-2-yl)-2,2′:6′,2″-terpyridine
A new thiophene-substituted terpyridine derivative has been prepared through the reaction between 5-n-propylthiophene-2-carboxaldehyde and 2-acetylpyridine. This terpyridine derivative bears an alkyl chain linked via a thiophene heterocycle.
Crystal structure of 2-[bis(benzylsulfanyl)methyl]-6-methoxyphenol
The title compound, C22H22O2S2, 1, represents an example of an ortho-vanillin-based functionalized dithioether, which could be useful as a potential chelating ligand or bridging ligand for coordination chemistry. This dithioacetal 1 crystallizes in the orthorhombic space group Pbca. The phenyl ...
Crystal structures of 9-[bis(benzylsulfanyl)methyl]anthracene and of cyclo-dodecakis(μ2-phenylmethanethiolato-κ2S:S)hexapalladium(6 Pd—Pd)–anthracene-9,10-dione (1/1)
The first title compound, C29H24S2, L1, represents an example of an anthracene-based functionalized dithioether, which may be useful as a potential chelating or terminal ligand for coordination chemistry. This dithioacetal L1 crystallizes in the monoclinic space group P21/c. The phenyl rings of ...
Lipid model membranes intended for all-atom molecular dynamics
The data are a series of lipid model membranes designed for the use in all-atoms Molecular dynamics simulations. They are lipid membranes modelling the composition of the lipid matrix of the plasma membrane of eukaryotes with a 5-component model involving phosphatidylcholine (PC), phosphatidylserine ...
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