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 ...
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) ...
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.
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.
Googlomics: Inferring hidden causal relations between pathway members using reduced Google matrix of directed biological networks
Signaling pathways represent parts of the global biological network which connects them into a seamless whole through complex direct and indirect (hidden) crosstalk whose structure can change during normal development or in a pathological conditions such as cancer. Advanced methods for ...
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