AndreaBozzo/ceres-open-data-index huggingface dataset:
Three-Component Access to Functionalized Spiropyrrolidine Heterocyclic Scaffolds and Their Cholinesterase Inhibitory Activity

[Lien vers la fiche source] A novel one-pot [3+2]-cycloaddition reaction of (E)-3-arylidene-1-phenyl-succinimides, cyclic 1,2-diketones (isatin, 5-chloro-isatin and acenaphtenequinone), and diverse α-aminoacids such as 2-phenylglycine or sarcosine is reported. The reaction provides succinimide-substituted dispiropyrrolidine derivatives with high regio- and diastereoselectivities under mild reaction conditions. The stereochemistry of these N-heterocycles has been confirmed by four X-ray diffraction studies. Several synthetized compounds show higher inhibition on acetylcholinesterase (AChE) than butyrylcholinesterase (BChE). Of the 17 synthesized compounds tested, five exhibit good AChE inhibition with IC50 of 11.42 to 22.21 µM. A molecular docking study has also been undertaken for compound 4n possessing the most potent AChE inhibitory activity, disclosing its binding to the peripheral anionic site of AChE enzymes.
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)

[Lien vers la fiche source] 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 the benzyl groups and that of the anthracene unit form dihedral angles of 49.21 (4) and 58.79 (5)° and the crystal structure displays short C–H⋯π contacts. Surprisingly, when attempting to coordinate L1 to [PdCl2(PhCN)2], instead of the targeted chelate complex [PdCl2(κ2-L1)], a cleavage reaction leads to the formation of the centrosymmetric hexa­nuclear cyclic cluster of composition [Pd6(μ2-SCH2Ph)12] Pd6, or [Pd6(C7H7S)12]·C14H8O2. This tiara-shaped hexa­mer crystallizing in the triclinic space group P[\overline{1}] consists of six approximately square planar Pd(II)S4 centers, which are inter­connected through twelve μ2-bridging benzyl thiol­ate groups. The Pd⋯Pd contacts range from 3.0892 (2) to 3.1609 (2) Å and can be considered as weakly bonding. The unit cell of Pd6 contains also a co-crystallized anthracene-9,10-dione mol­ecule.
GaiaSimu Universe Model Snapshot

[Lien vers la fiche source] GUMS-10 is the 10th version of the Gaia Universe Model Snapshot, a simulation of the expected contents of the Gaia catalogue run at the MareNostrum supercomputer. The simulated catalogue will be made publicly available by the DPAC on the Gaia portal of the ESA web site http://www.rssd.esa.int/gaia/
Gaia early Data Release 3

[Lien vers la fiche source] Gaia is a cornerstone mission in the science programme of the European Space Agency (ESA). The spacecraft construction was approved in 2006. Both the spacecraft and the payload were built by European industry. The involvement of the scientific community focusses on data processing for which the international Gaia Data Processing and Analysis Consortium (DPAC) was selected in 2007. Gaia was launched on 19 December 2013. The early third data release is based on 34 months of observations, and was issued on 3 December 2020. It contains the five-parameter astrometric solution - positions on the sky (α, δ), parallaxes, and proper motions - for more than 1.4 billion sources, with a limiting magnitude of G = 21 and a bright limit of G ≈ 3. The full description is given in https://www.cosmos.esa.int/web/gaia/earlydr3
L'échantillon à 10 parsecs

[Lien vers la fiche source] Revised census of the 10 parsecs sample. The catalogue contains 540 stars, brown dwarfs, and exoplanets in 339 systems, within 10 pc from the Sun. This list is as volume-complete as possible from current knowledge and it provides benchmark stars that can be used, for instance, to define calibration samples and to test the quality of the forthcoming Gaia releases. It also has a strong outreach potential.
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

[Lien vers la fiche source] 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). Interestingly, the regioselectivity of the reaction is both temperature- and solvent-dependent, allowing the synthesis of two regioisomeric endo-dispiropyrrolo[2,1-a]isoquinolineoxindoles in excellent yield. Unprecedentedly, each isomeric dispiropyrrolo[2,1-a]isoquinolineoxindole endured retro-1,3-dipolar cycloaddition/recycloaddition reactions under thermal or catalytic conditions to regenerate the corresponding regioisomeric counterpart. In addition, DFT calculations were performed at the M062X/6-31++g(d,p) level of theory to unravel the origin of the reversal of regioselectivity and endo-stereoselectivity of the title 1,3-dipolar cycloaddition reactions. Upon treatment of Isatin, THIQ with (Z)-4-arylidene-5-thioxo-thiazolidin-2-ones as dipolarophiles, unusual rhodanine analogues were formed, along with smaller amounts of a dispirooxindole-piperazine. The structure and the relative configuration of these N-heterocycles were unambiguously assigned by spectroscopic techniques and confirmed by four single-crystal structures. In vitro and in vivo studies reveal that the novel rhodanine derivatives exert antidiabetic activity. The binding affinity with the active site of the enzyme α-amylase was studied by molecular docking. Furthermore, the bioavailability assessed through virtual ADME parameters (Absorption, Distribution, Metabolism, Elimination pharmacokinetics) and the excellent fit with the Lipinski and Veber rules predict good drug-likeness properties for a bromo-substituted 2-sulfanylidene-1,3-thiazolidin-4-one.
Synthesis, antidiabetic activity and molecular docking study of rhodanine-substitued spirooxindole pyrrolidine derivatives as novel α-amylase inhibitors

[Lien vers la fiche source] 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 azomethine ylides, generated in situ by condensation of glycine methyl ester and the cyclic ketones 1H-indole-2,3-dione (isatin), with (Z)-5-arylidine-2-thioxothiazolidin-4-ones. The highlight of this protocol is the efficient high-yield construction of structurally diverse rhodanine-fused spiro[pyrrolidine-2,3′-oxindoles] scaffolds, including four contiguous stereocenters, along with excellent regio- and diastereoselectivities. The stereochemistry of all compounds was confirmed by NMR and corroborated by an X-ray diffraction study performed on one derivative. All cycloadducts were evaluated in vitro for their α-amylase inhibitory activity and showed good α-amylase inhibition with IC50 values ranging between 1.49 ± 0.10 and 3.06 ± 0.17 µM, with respect to the control drug acarbose (IC50 = 1.56 µM). Structural activity relationships (SARs) were also established for all synthesized compounds and the binding interactions of the most active spiropyrrolidine derivatives were modelled by means of molecular in silico docking studies. The most potent compounds 5 g, 5 k, 5 s and 5 l were further screened in vivo for their hypoglycemic activity in alloxan-induced diabetic rats, showing a reduction of the blood glucose level. Therefore, these spiropyrrolidine derivatives may be considered as promising candidates for the development of new classes of antidiabetic drugs.
Antimicrobial Activity and DFT Studies of a Novel Set of Spiropyrrolidines Tethered with Thiochroman-4-one/Chroman-4-one Scaffolds

[Lien vers la fiche source] 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 calculations studies, using the DFT approach, were performed to rationalize the stereochemical outcome. These N-heterocycles were evaluated for their antibacterial and antifungal activities against some pathogenic organisms. Several compounds displayed moderate to excellent activity towards the screened microbe strains in the study compared to Amoxicillin (AMX), Ampicillin (AMP), and Amphotericin B. Furthermore, a structural activity relationship (SAR) was established considering the synthesized compounds. Pharmacokinetic studies reveal that these derivatives exhibit an acceptable predictive ADMET profile (Absorption, Distribution, Metabolism, Excretion and Toxicity) and good drug-likeness.
Crystal structure of 2-[bis(benzylsulfanyl)methyl]-6-methoxyphenol

[Lien vers la fiche source] 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 rings of the benzyl groups and that of the vanillin unit form dihedral angles of 35.38 (6) and 79.77 (6)°, respectively. The crystal structure, recorded at 100 K, displays both weak intra­molecular O—H...O and inter­molecular O—H...S hydrogen bonding.
New spiropyrrolothiazole derivatives bearing an oxazolone moiety as potential antidiabetic agent: Design, synthesis, crystal structure, Hirshfeld surface analysis, ADME and molecular docking studies

[Lien vers la fiche source] 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 synthesized. Four crystal structure determinations further corroborate the proposed stereochemistry and composition of these spirocompounds. The Hirshfeld surface analysis was carried out to quantify the intermolecular interactions involved in the crystalline environment. Results showed the main contribution of H···H and C···H/ H···C contacts for the crystal structures 4b, 5c, 6a and 6e as well as those of O···H/ H···O contacts followed by the S···H/ H···S contacts. Furthermore, the hypoglycemic potency of these heterocycles has been evaluated against both α-amylase from human saliva (HAA) and α-glucosidase from Saccharomyces cerevisiae (SCAG). Among the spiropyrrolothiazole derivatives, the high significantly were 4b (IC50 (HAA) = 1.76 ± 0.14 μM; IC50 (SCAG) = 4.81 ± 0.24 μM) and 5d (IC50 (HAA) = 2.88 ± 0.19 μM; IC50 (SCAG) = 7.78 ± 0.37 μM), while in dispiropyrrolothiazole analogues, those of 6f (IC50 (HAA) = 2.18 ± 0.17 μM), 6e (IC50 (HAA) = 2.28 ± 0.18 μM) and 6c (IC50 (HAA) = 2.49 ± 0.20 μM) and 6e (IC50 (SCAG) = 6.41 ± 0.25 μM), 6f (IC50 (SCAG) = 6.93 ± 0.34 μM) and 6c (IC50 (SCAG) = 7.11 ± 0.31 μM) were found to be the most active, respectively as compared to the standard drug, acarbose (IC50 (HAA) = 1.28 ± 0.13 μM; IC50 (SCAG) = 2.80 ± 0.20 μM). Structural activity relationships (SARs) and molecular dockings of the most active inhibitors into the binding sites of HAA (1B2Y) and SCAG (3W37) were also established. Furthermore, pharmacokinetic studies indicate that the heterocycles exhibit acceptable predictive ADME properties and good drug ability. Overall, our results indicate that these derivatives could be a promising template to design potent dual HAA and SCAG inhib.
Troisième catalogue de Gaia

[Lien vers la fiche source] Gaia is a cornerstone mission in the science programme of the European Space Agency (ESA). The spacecraft construction was approved in 2006. Both the spacecraft and the payload were built by European industry. The involvement of the scientific community focusses on data processing for which the international Gaia Data Processing and Analysis Consortium (DPAC) was selected in 2007. Gaia was launched on 19 December 2013. The early third data release is based on 34 months of observations, and was issued on 13 June 2022. It contains the five-parameter astrometric solution - positions on the sky, parallaxes, and proper motions - for more than 1.4 billion sources, with a limiting magnitude of G = 21 and a bright limit of G ≈ 3. It also contains classification, astrophysical, and orbital parameters, as well as radial velocities for several tens to hundreds of millions of objects. The full description is given in https://www.cosmos.esa.int/web/gaia/dr3
4′-(N-(Propargyl)pyrrol-2-yl)-2,2′:6′,2′′-terpyridine

[Lien vers la fiche source] 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.
Spectres Raman de vésicules extracellulaires dérivées des cellules HMEC-1 exposées ou non au B[a]P (2024)

[Lien vers la fiche source] Raman spectra (693) of extracellular vesicles derived from HMEC-1 cells exposed or not to Benzo[a]pyrene (B[a]P). Data were collected with a Raman microscope on 2 samples exposed to B[a]P and 3 samples control, and preprocessed (baseline correction, normalization). Further details can be found in a publication currently being submitted (link to be added later).
Courbes de Polarisation de deux stacks de pile à Combustible à Oxyde Solide (SOFC)

[Lien vers la fiche source] These data represent the polarization curves of two Solid Oxide Fuel Cell (SOFC) stacks, allowing the cell voltage to be determined as a function of current density at different temperatures and some electrochemical impedance data. The measurements were carried out on two stacks of three cells each, placed in a furnace, at three different temperatures. These measurements make it possible to analyze the electrical behavior of a fuel cell. They include the measurement of voltage, current, furnace temperature and electrochemical impedance spectroscopy.
L’influence des philosophes dans Wikipédia : une analyse multiculturelle

[Lien vers la fiche source] We analyze the influence and interconnections of philosophical thinkers within the Wikipedia knowledge network across nine language editions using PageRank, CheiRank, and the reduced Google matrix. While philosophers are not central to Wikipedia’s structure, they remain key reference points, with notable cultural differences in their prominence. We compare Wikipedia rankings with specialized sources like the Stanford and Internet Encyclopedias of Philosophy and focus in particular on the hidden links among 21 Presocratic thinkers, revealing new insights into their intellectual relationships through network analysis.
Points of Interest und deren Behindertengerechtigkeit in der Stadt St.Gallen

Der Datensatz zeigt die Points of Interest der Stadt St.Gallen aus dem [digitalen Stadtplan] und deren Behindertengerechtigkeit. Dazu gehören folgende Kategorien: Apotheke, Drogerie; Aus- und Weiterbildung; Banken; Bar, Dancing, Disco; Beratungsstellen; Friedhöfe; Heime, Spitäler; Historische Objekte; Hotel; Kantonale Verwaltung; Kinder- und Jugendtreff; Kindergärten; Kino; Krippen, Freiwilliges Schul-Angebot (FSA) und Tagesbetreuungen; Kulturelles; Mobility; Öffentliche WC; Öffentlicher Verkehr; Parkplätze, Parkhäuser; Post; Religiöse Bauten; Restaurant; Schulhäuser; Spielgruppen; Spielplätze; Sportanlagen; Stadtverwaltung; Tankstellen; Velo
ARCWIND - Satellite Ocean Data - 0.125deg

[Lien vers la fiche source] Wind analyses, estimated over the North Atlantic Ocean with a focus on some specific regions, are one the main ARCWIND (http://www.arcwind.eu/) project deliverables. They are estimated from various remotely sensed wind observations in combination with numerical model (WRF), with regular space (0.125deg in latitude and longitude), and time (00h:00, 06h:00, 12h:00, 18h:00 UTC), and based the method described in (Bentamy A., A. Mouche, A. Grouazel, A. Moujane, M. A. Ahmed. (2019): Using sentinel-1A SAR wind retrievals for enhancing scatterometer and radiometer regional wind analyses . International Journal Of Remote Sensing , 40(3), 1120-1147 . https://doi.org/10.1080/01431161.2018.1524174).
Base de données de bathymétrie multifaisceaux contrôlées (GeoBIS)

[Lien vers la fiche source] Cette base de données multifaisceaux contrôlée a été initiée au sein de l'Ifremer par l’équipe ANTIPOD de l’UMR Geo-Ocean (6538), en collaboration avec le service SISMER. Elle met à disposition des fichiers de données au format « sondeur multifaisceaux » (.mbg / .xsf) à l’un ou l’autre des deux niveaux de contrôle décrits ci-dessous : • A l’échelle d’une campagne, le contrôle est réalisé de manière globale : épuration de premier ordre des données aberrantes, recherche et corrections de biais global éventuel, rejets de périodes d’acquisition lorsque la qualité des données est jugée insuffisante. Aucune correction locale ou ponctuelle n’est appliquée. A cette échelle, le contrôle vise à préparer les données pour une contribution à des modèles bathymétriques régionaux à moyenne résolution spatiale (50 à 100 mètres). Ces données sont adaptées pour être intégrées à des modèles de type Gebco (https://www.gebco.net/), Seabed2030 (https://seabed2030.org/) ou EMODnet Bathymetry (https://emodnet.ec.europa.eu/en/bathymetry). • A l’échelle des profils d’acquisition : pour les campagnes concernées, l’acquisition des données est découpée en profils (lignes continues d’acquisition sans giration du navire). Le contrôle et la correction des données sont ensuite réalisés profil par profil, plus finement qu’un contrôle global au niveau de la campagne. A cette échelle, le contrôle vise une validation complète des données et leur correction lorsque nécessaire : épuration de données aberrantes, observation et correction de biais ponctuels ou locaux (roulis, célérité…), application d’une correction de marée…Ces données sont adaptées pour le calcul de modèles bathymétriques à la pleine résolution des données acquises. Aucun échantillonnage n’est appliqué aux données.
Base de données sismiques de sondeurs de sédiments contrôlées (GeoBIS)

[Lien vers la fiche source] Base des données validées de sondeurs de sédiments acquises sur les navires de la Flotte Océanographique Française (sondeurs de coque et AUV) via le logiciel SUBOP (Ifremer) lors des campagnes en mer de l’Ifremer. Les données validées sont des données corrélées (trace corrélée par le signal « chirp » émis par le sondeur afin d’obtenir une résolution verticale optimale), au format SEGY, avec un positionnement traité (position de la base du sondeur) et une estimation du niveau de qualité du signal sismique. De par leur format, ces données sont directement intégrables dans un logiciel d’interprétation sismique.
Collection osisaf

[Lien vers la fiche source] The OSI SAF develops, processes and distributes, in near real-time, products related to key parameters of the ocean-atmosphere interface. The OSI SAF team focuses on scatterometer winds (and soon microwave winds), Sea Surface Temperature (SST) and sea Ice Surface Temperature (IST), radiative fluxes : Downward Longwave Irradiance (DLI) and Surface Solar Irradiance (SSI), sea ice concentration, edge, type, emissivity, drift. The OSI SAF currently use data from meteorological satellites both in geostationary and polar orbit.
Daily surface Wind analyses ASCAT

[Lien vers la fiche source] Daily and monthly surface wind analyses are determined as gridded wind products over global oceans, with regular spatial resolution of 0.25° in latitude and longitude. They are estimated from scatterometer wind retrievals (L2b data). According to the scatterometer sampling scheme, the objective method allowing the determination of regular in space surface wind fields uses remotely sensed observations as well as ECMWF analyses. The calculation of daily estimates uses ascending as well as descending available and valid retrievals. The objective method aims to provide daily-averaged gridded wind speed, zonal component, meridional component, wind stress and the corresponding components at global scale. The error associated to each parameter, related to the sampling impact and wind space and time variability, is provided too. Monthly wind analyses are calculated from daily estimates.
Daily Surface Wind Analyses QuickSCAT

[Lien vers la fiche source] Daily and monthly surface wind analyses are determined as gridded wind products over global oceans, with regular spatial resolution of 0.25° in latitude and longitude. They are estimated from scatterometer wind retrievals (L2b data). According to the scatterometer sampling scheme, the objective method allowing the determination of regular in space surface wind fields uses remotely sensed observations as well as ECMWF analyses. The calculation of daily estimates uses ascending as well as descending available and valid retrievals. The objective method aims to provide daily-averaged gridded wind speed, zonal component, meridional component, wind stress and the corresponding components at global scale. The error associated to each parameter, related to the sampling impact and wind space and time variability, is provided too. Monthly wind analyses are calculated from daily estimates.
Données brutes des campagnes océanographiques

[Lien vers la fiche source] Jeux de données acquises par tous les types de capteurs/instruments installés à bord de la flotte océanographique civile française constituée des navires suivants: * PourquoiPas? * Atalante * Thalassa * Suroît * Haliotis * Europe * Thalia * Gwen Drez * Antea * Alis Les systèmes et les formats d'acquisition varient en fonction des navires et des instruments. Il s'agit de données d'observation, sans traitement, ni validation.
Données hydro-acoustiques passives 240 Hz annotées en océan Atlantique 2013 et océan Indien Sud 2018 et 2020

[Lien vers la fiche source] Données hydro-acoustiques passives 240 Hz enregistrées par 9 hydrophones du réseau OHASISBIO (océan Indien austral) dans la période du 14 Février 2018 au 03 Novembre 2018.
Données satellites - Guadeloupe - CHLa, MES, Turbidité, KPAR (MERIS)

[Lien vers la fiche source] Données traitées issues du satellite MERIS. Les paramètres observés sont la matière en suspension, la chlorophyl-a, la turbidité et le rayonnement photosynthétiquement actif (KPAR) sur la zone des Antilles Françaises (Guadeloupe). Il s'agit de données journalières, mensuelles (moyenne) et annuelles (moyenne et P90) sur la période 2003-2012 Les données ont été traitées à partir des données brutes, dans le cadre d'une convention Ifremer-AFB.
Données satellites - Guadeloupe - CHLa, MES, Turbidité, KPAR (MODIS)

[Lien vers la fiche source] Données traitées issues du satellite MODIS. Les paramètres observés sont la matière en suspension, la chlorophyl-a, la turbidité et le rayonnement photosynthétiquement actif (KPAR) sur la zone des Antilles Françaises (Guadeloupe). Il s'agit de données journalières, mensuelles (moyenne) et annuelles (moyenne et P90) sur la période 2003-2017 Les données ont été traitées à partir des données brutes, dans le cadre d'une convention Ifremer-AFB.
Données satellites - Guadeloupe - CHLa, MES, Turbidité, KPAR (OLCI FR)

[Lien vers la fiche source] Données traitées issues du satellite OLCI FR. Les paramètres observés sont la matière en suspension, la chlorophyl-a, la turbidité et le rayonnement photosynthétiquement actif (KPAR) sur la zone des Antilles Françaises (Guadeloupe). Il s'agit de données journalières, mensuelles (moyenne) et annuelles (moyenne et P90) sur la période 2016-2018 Les données ont été traitées à partir des données brutes, dans le cadre d'une convention Ifremer-AFB.