SiCaSDa database
Calculated spectroscopic line lists for silane (SiH4), resulting from the most recent high-resolution experimental spectrum assignments and fits.
ChMeCaSDa database
Calculated spectroscopic line lists for chloromethane (CH3Cl), resulting from the most recent high-resolution experimental spectrum assignments and fits.
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 ...
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 ...
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, ...
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
Calculated spectroscopic line lists for uranium hexafluide (UF6), resulting from the most recent high-resolution experimental spectrum assignments and fits.
TFSiCaSDa database
Calculated spectroscopic line lists for silicon tetrafluoride (SiF4), resulting from the most recent high-resolution experimental spectrum assignments and fits.
Wikipedia network analysis of cancer interactions and world influence
We apply the Google matrix algorithms for analysis of interactions and influence of 37 cancer types, 203 cancer drugs and 195 world countries using the network of 5 416 537 English Wikipedia articles with all their directed hyperlinks. The PageRank algorithm provides the importance order of cancers ...
Interactions of pharmaceutical companies with world countries, cancers and rare diseases from Wikipedia network analysis
Using the English Wikipedia network of more than 5 million articles we analyze interactions and interlinks between the 34 largest pharmaceutical companies, 195 world countries, 47 rare renal diseases and 37 types of cancer. The recently developed algorithm of reduced Google matrix (REGOMAX) allows ...
World influence of infectious diseases from Wikipedia network analysis
We consider the network of 5416537 articles of English Wikipedia of 2017. Using the recent reduced Google matrix (REGOMAX) method we construct the reduced network of 230 articles (nodes) of infectious diseases and 195 articles of world countries. This method generates the reduced directed network ...
MeCaSDa database
Calculated spectroscopic line lists for methane (CH4), resulting from the most recent high-resolution experimental spectrum assignments and fits.
SHeCaSDa database
Calculated spectroscopic line lists for sulfur hexafluoride (SF6), resulting from the most recent high-resolution experimental spectrum assignments and fits.
TFMeCaSDa database
Calculated spectroscopic line lists for carbon tetrafluoride, resulting from the most recent high-resolution experimental spectrum assignments and fits.
RuCaSDa database
Calculated spectroscopic line lists for ruthenium tetroxide (RuO4), resulting from the most recent high-resolution experimental spectrum assignments and fits.
ECaSDa database
Calculated spectroscopic line lists for ethene (ethylene), resulting from the most recent high-resolution experimental spectrum assignments and fits.
Reactivity of CuI and CuBr toward Dialkyl Sulfides RSR: From Discrete Molecular Cu4I4S4 and Cu8I8S6 Clusters to Luminescent Copper(I) Coordination Polymers
The CuX salts (X = I, Br) react with SR2 to form molecular clusters of the types [(R2S)4(Cu4I4)] and [(R2S)6(Cu8I8)] or to give 1D polymers and 2D metal−organic frameworks. The cluster nuclearity and connectivity as well as the dimensionality of these compounds depend on the steric demand of SR2, ...
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