41 results

SiCaSDa database

Collected date : from 1 Mar 2024 ongoing

Calculated spectroscopic line lists for silane (SiH4), resulting from the most recent high-resolution experimental spectrum assignments and fits.

Electric vehicle energy model

Collected date : 30 Sep 2021
Creators : Romain Tabusse

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 ...

ChMeCaSDa database

Collected date : from 1 Sep 2023 ongoing

Calculated spectroscopic line lists for chloromethane (CH3Cl), resulting from the most recent high-resolution experimental spectrum assignments and fits.

Physico-chemical parameters and isotopic signatures of the waters of the Forbonnet peatland

pH, electrical conductivity, temperature, redox potential, major elements concentration, and isotope analyses (87Sr/86Sr ratio, 13C of the dissolved inorganic carbon, 18O and 2H of the water molecule) of waters sampled at the Forbonnet peatland. All the methods of acquisition and laboratory ...

Spatial and temporal variability of pelagic and benthic organic matter composition in lake

Collected date : from Mar 2018 ongoing

As part of the QUALILAC project (Influence of the watershed on the functioning of lakes: importance of nutritional quality for couplings between benthic and pelagic environments), monitoring of the origin, quantity and quality of organic matter (OM) available at the water column and benthic level ...

Model energetic macroscopic representation (EMR) of the Fuel Cell and leads to a so-called maximal control structure (MCS)

Collected date : from 1 Oct 2007 to 6 Jun 2010
Creators : Loïc Boulon

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

Disciplines : chemistry, organic
Collected date : Jun 2022
Creators : Jérôme Husson

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

Disciplines : chemistry, organic
Collected date : from 2018 to 2019

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

Collected date : from Apr 2015 to Mar 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.

Physicochemical and bacteriological characteristics of water - Arcier watershed - 2020-2022

Physical characteristics, major ions, minor ions, trace elements measured from May 2020 to February 2022 in five sites of the Arcier karst watershed (Doubs, France), as well as at the Arcier spring. These measurements were complemented by the acquisition of extended spectrum beta-lactamase ...

1-{4-[(Hexyloxy)methyl]pyridin-2-yl}ethanone

Disciplines : chemistry, organic
Collected date : 2016
Creators : Florian Charrier

A new member of the 2-acetylpyridine family has been prepared and characterized by NMR and IR spectroscopies.

GeCaSDa database

Collected date : from 1 Sep 2017 ongoing

Calculated spectroscopic line lists for germane (GeH4), resulting from the most recent high-resolution experimental spectrum assignments and fits.

Formation of interstellar complex polycyclic aromatic hydrocarbons: insights from molecular dynamics simulations of dehydrogenated benzene

Collected date : from 2019 to 2020

The data are supplemental materials for the article entitled "Formation of interstellar complex polycyclic aromatic hydrocarbons: insights from molecular dynamics simulations of dehydrogenated benzene" authored by M. Hanine et al. The data contains: - Atomistic configurations of the formed PAH ...

Modeling the aging of battery and fuel cell components in real use

Collected date : from 30 Sep 2006 to 29 Sep 2019
Creators : Loic Vichard

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 ...

1-(4-Formyl-2,6-dimethoxyphenoxy)-4-chlorobut-2-yne

Disciplines : chemistry, organic
Collected date : from 2020 to 2021
Creators : Jérôme Husson

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

Disciplines : chemistry, organic
Collected date : from 2017 to 2018

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

Collected date : from 2018 to 2021

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). ...

4,4″-Dichloro-4′-(2-thienyl)-2,2′:6′,2″-terpyridine

Disciplines : chemistry, organic
Collected date : from 2017 to 2018

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

Disciplines : chemistry, organic
Collected date : from 2018 to 2019

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

Disciplines : chemistry, organic
Collected date : 2020

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 ...

41 results

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dat@UBFC

dat@UBFC is a metadata catalogue for research data produced at UBFC.

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Université de Bourgogne, Université de Franche-Comté, UTBM, AgroSup Dijon, ENSMM, BSB, Arts des Metiers