SiCaSDa database
Calculated spectroscopic line lists for silane (SiH4), resulting from the most recent high-resolution experimental spectrum assignments and fits.
Review SVM EEG
Dataset (table) of a literature review of Electroencephalography (EEG) and Support Vector Machines (SVM), up to and including 2020.
MEDUSA: Marine benthic Ecological Data from Underwater imagery Surveys of sub-Antarctic Crozet environments
Inscribed on the UNESCO World Heritage list, the sub-Antarctic Crozet archipelago is located in a region facing significant environmental changes impacting a poorly known marine biodiversity. Underwater imagery constitutes a valuable non-invasive approach for gathering ecological data and improving ...
PROTEKER: a near-shore submarine observatory in the Kerguelen Islands for the long-term monitoring of benthic habitats
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
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
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 ...
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 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
A new member of the 2-acetylpyridine family has been prepared and characterized by NMR and IR spectroscopies.
GeCaSDa database
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
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
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 ...
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, ...
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 ...
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.
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