51 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.

PROTEKER: a near-shore submarine observatory in the Kerguelen Islands for the long-term monitoring of benthic habitats

Collected date : from Nov 2011 ongoing
Creators : Thomas Saucède

PROTEKER is a pilot program that aims at establishing a baseline for assessing the impact of climate change on near-shore marine ecosystems of the Kerguelen Islands by implementing an ecological and genetic monitoring at reference sites. The high diversity of coastal marine ecosystems is usually ...

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.

Data on genes expression in Pseudomonas aeruginosa

Collected date : from Dec 2017 to Dec 2020
Creators : Mélanie Grosjean

Pseudomonas aeruginosa is a Gram-negative Human opportunistic pathogen, responsible for nosocomial infections with high mortality for immunocompromised patients. The pathogenesis is based on the production of many structural or secreted virulence factors. P. aeruginosa is also able to produce ...

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.

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 ...

CaDDiAcS - Calculated Database of Dijon for Atomic Spectra

Disciplines : spectroscopy
Collected date : from 1 Jan 2012 ongoing
Creators : Maxence Lepers

The CaDDiAcS base contains spectroscopic data for some complex atoms and ions, in particular lanthanides. For many transitions, it gives the wavelengths, the spontaneous-emission Einstein coefficients, and the absorption oscillator strengths, calculated in ICB (Dijon) and Aimé Cotton (Orsay) ...

Modelling the response of Antarctic marine species to environmental changes. Methods, applications and limitations

Collected date : from 1 Jan 2017 to 9 Jul 2021

Ecological modelling is nowadays widely used to highlight the environmental conditions that influence the species ecological niche and better understand their response to environmental changes. Methodological challenges are however present for Southern Ocean marine case studies and it is important ...

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). ...

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, ...

Crystal structure of di-[mu]-iodido-bis­[bis(aceto­nitrile-[kappa]N)copper(I)]

The title compound, [Cu2I2(CH3CN)4], exhibits a centrosymmetric Cu2I2 core [Cu...Cu distance = 2.7482 (11) Å], the CuI atoms of which are further coordinated by four mol­ecules of aceto­nitrile. The CuI atom has an overall distorted tetra­hedral coordination environment evidenced by L-Cu-L angles (L ...

Crystal structure of di-[mu]-iodido-bis­[(dimethyl sulfoxide-[kappa]O)(tri­phenyl­phosphane-[kappa]P)copper(I)]

The centrosymmetric dinuclear title compound, [Cu2I2(C2H6OS)2(C18H15P)2], represents the first example of a CuI complex ligated by an O-bound dimethyl sulfoxide ligand. In the crystal, the two tetrahedrally coordinated CuI atoms are bridged by two [mu]2-iodido ligands in an almost symmetrical ...

Crystal structure of the two-dimensional coordination polymer poly[di-μ-bromido-bis­(μ-tetra­hydro­thiophene)­dicopper(I)]

The polymeric title compound, [Cu2Br2(C4H8S)2]n, CP1, represents an example of a two-dimensional coordination polymer resulting from reaction of CuBr with tetra­hydro­thio­phene (THT) in MeCN solution. The two-dimensional layers consist of two different types of rhomboid-shaped dinuclear ...

Genotypic and phenotypic evolution of a Pseudomonas aeruginosa ST395 strain during 11-year in hospital spread.

Collected date : from 1997 to 2013
Creators : Didier Hocquet

P. aeruginosa is an opportunistic pathogen responsible of hospital-acquired infections in immunocompromised patients. Although in-host evolution of P. aeruginosa is well documented, little is known about this pathogen evolution during its spread on a hospital scale. The high-risk multidrug resistant ...

Crystal structure of dicarbon­yl[μ2-methyl­enebis(di­phenyl­phosphane)-κ2P:P′][μ2-2-(2,4,5-tri­methyl­phen­yl)-3-...

The title compound, [FePt(C12H12O)(C18H15P)(C25H22P2)(CO)2]·2C7H8·CH2Cl2 or [(OC)2Fe(μ-dppm)(μ-C(=O)C(2,4,5-C6H2Me3)=CH)Pt(PPh3)], represents an example of a diphosphane-bridged heterobimetallic dimetalla­cyclo­pentenone complex resulting from a bimetallic activation of 1-ethynyl-2,4,5-tri­methyl­be ...

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 structure of {μ2-1,2-bis­[(4-methyl­phenyl­sulfan­yl]-3-oxoprop-1-ene-1,3-di­yl-1:2κ2C3:C1}dicarbon­yl-1κ2C-[μ2-methyl­enebis(di­phenyl­phos­phane)-1:2κ2P:P′](tri­phenyl­phosphane-2κP)iron­platinum(Fe—Pt),...

Disciplines : crystallography
Collected date : from 2017 to 2020

The title compound, [FePt(C19H18OS2)(C18H15P)(C25H22P2)(CO)2], 1, [(OC)2Fe(μ-dppm)(μ-C(=O)C(CH2SC6H4Me-4)=CCH2SC6H4Me-4)Pt(PPh3)], represents the first example of a diphosphane-bridged heterobimetallic Fe—Pt dimetalla­cyclo­pentenone complex resulting from a bimetallic activation of ...

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 ...

Synthesis of Tris(arylphosphite)-ligated Cobalt(0) Complexes [Co2(CO)6{P(OAr)3}2], and their Reactivity towards Phenylacetylene and Diphenylacetylene

Disciplines : crystallography
Collected date : from 2018 to 2020

The dinuclear complexes [Co2(CO)6{P(OAr)3}2] (1a, Ar = Ph; 1b, Ar = o-Tol) were prepared and reacted with PhC≡CH and PhC≡CPh to yield dimetallatetrahedranes [{(ArO)3P}(OC)2Co-Co(μ-RC≡CPh)(CO)2{P(OAr)3}] (3a, Ar = Ph, R = H; 3b, Ar = o-Tol, R = H; 3c, Ar = Ph, R = Ph; 3d, Ar = o-Tol, R = Ph). The ...

Crystal structure of the coordination polymer catena-poly[[[(acetonitrile-κN)copper(I)]-μ3-1,3-dithiolane -κ3S:S:S'] hexafluoridophosphate]

The polymeric title compound, [Cu2(C2H3N)2(C3H6S2)2](PF6)2, represents an example of a one-dimensional coordination polymer resulting from the reaction of [Cu(MeCN)4][PF6] with 1,3-di­thiol­ane. The cationic one-dimensional ribbon consists of two copper(I) centers each ligated by one aceto­nitrile ...

Unusual Triplet-Triplet Annihilation in a 3D Copper Chloride Coordination Polymer

A new coordination polymer (CP) defined as [Cu2Cl2(EtS(CH2)4SEt)4]n (CP2) was prepared by reacting EtS(CH2)4SEt with CuCl in acetonitrile in a 1 : 2 stoichiometric ratio. The X-ray structure reveals formation of non-porous 3D material composed of parallel 2D-[Cu2Cl2S2]n layers of Cl-bridged ...

UHeCaSDa database

Collected date : from 1 Jun 2020 ongoing

Calculated spectroscopic line lists for uranium hexafluide (UF6), resulting from the most recent high-resolution experimental spectrum assignments and fits.

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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