NMR Crystallography in the Big Data Era: New Methods and Applications Powered by Machine Learning
Graph Chatbot
Chattez avec Graph Search
Posez n’importe quelle question sur les cours, conférences, exercices, recherches, actualités, etc. de l’EPFL ou essayez les exemples de questions ci-dessous.
AVERTISSEMENT : Le chatbot Graph n'est pas programmé pour fournir des réponses explicites ou catégoriques à vos questions. Il transforme plutôt vos questions en demandes API qui sont distribuées aux différents services informatiques officiellement administrés par l'EPFL. Son but est uniquement de collecter et de recommander des références pertinentes à des contenus que vous pouvez explorer pour vous aider à répondre à vos questions.
A novel trans-platinum(II) complex bearing one dimethylamine (dma) and one methylamine (ma) ligand, namely trans-[PtCl2(dma)(ma)], recently synthesised and characterised in our laboratory, displayed relevant antiproliferative properties in vitro, being mor ...
alpha-D-Galactosyl)phenylmethane (1). (alpha- and beta-D-galactosyl)-(difluoro)phenylmethane (2 and 3) have been prepared and their conformations in solution were described by using a combination of force-field calculations and NMR spectroscopic studies. G ...
A series of salts composed of the coordinatively unsatd. areneruthenium β-diketiminato cation and different anions, [(η6-C6H6)Ru(ArN:CMeCHCMe:NAr)][X] (1-4; Ar = 2,6-dimethylphenyl; X = OTf-, BF4-, PF6-, BPh4-) and [(η6-C6H6)Ru(ArN:CMeCHCMe:NAr)][BArF4] [5 ...
The article shows results of FT-IR and 1H NMR study for azeotrope diethyl amine–acetone. Changes in chemical shifts and vibrational frequencies for pure diethyl amine, pure acetone and their azeotrope were obtained. The unit-structure of cluster has been s ...
DFT methods in combination with NMR spectroscopy are used to investigate possible variants of the mol. structure of the ion pairs of the ionic liq. (IL) 1-ethyl-3-methylimidazolium tetrafluoroborate, [EMIM][BF4], in dichloromethane. According to the comput ...
Homonuclear helicates with rare-earth-metal(III) ions or heteronuclear derivatives with rare-earth-metal and aluminium or zinc centres are obtained in alkali-metal-templated selfassembly processes from isobutenylidene- bridged homoditopic bis(2-carb-Gamido ...
New heterobinuclear lanthanide complexes with benzoxazole-substituted 8-hydroxyquinolines, [Ln(ligand)2(μ-ligand)2Na] (Ln: Yb, Lu), have been prepared and their structure established by X-ray crystallography, 1H NMR spectroscopy, and photophysical studies. ...
Reliable quantification of the macromolecule signals in short echo-time H-1 MRS spectra is particularly important at high magnetic fields for an accurate quantification of metabolite concentrations (the neurochemical profile) due to effectively increased s ...
A protocol for the structure determination of powdered solids at natural abundance by NMR is presented and illustrated for the case of the small drug molecule thymol. The procedure uses proton spirt-diffusion data front two-dimensional NMR experiments ill ...
The molecular dynamics of [-SiDMe(2)] grafted on two amorphous silica materials, mesoporous SBA and non-porous Aerosil, was investigated by deuteron ((2)H) solid-state NMR spectroscopy. Quadrupole echo (QE), quadrupole Carr-Purcell-Meiboom-Gill (QCPMG) and ...
