Author: eletronicospopular

Analysis of the microcrystalline inclusion compounds of triclosan with β-cyclodextrin and its tris-O-methylated derivative. Abstract Solid 1:1 inclusion compounds of triclosan with native and permethylated 6-cyclodextrin (beta-CD and TRIMEB) were prepared by co-crystallisation and co-evaporation, respectively, and studied by FT-IR and C-13{H-1} CP/MAS NMR spectroscopies, thermogravimetric analysis, X-ray diffraction and theoretical calculations. Results showed that…

Engineering highly efficient Eu(iii)-based tri-ureasil hybrids toward luminescent solar concentrators Abstract Following a computational-experimental approach, a highly luminescent beta-diketonate-europium(III) complex containing 2-thenoyltrifluoracetonate (tta(-)) and 5,6-epoxy-5,6-dihydro-[1,10] phenanthroline (ephen) ligands, Eu(tta)(3)ephen (II), was theoretically studied by DFT/TD-DFT calculations, synthesized from Eu(tta)(3)(H2O)(2)(I) and fully characterized by high resolution mass spectrometry, TGA analysis, vibrational, UV-Vis and photoluminescence spectroscopy. For…

Analysis by vibrational spectroscopy of seaweed polysaccharides with potential use in food, pharmaceutical and cosmetic industries Abstract Polysaccharides present in several seaweeds (Kappaphycus alvarezii, Calliblepharis jubata, and Chondrus crispus—Gigartinales, Rhodophyta; Gelidium corneum and Pterocladiella capillacea—Gelidiales, Rhodophyta; Laurencia obtusa—Ceramiales, Rhodophyta; Himanthalia elongata, Undaria pinnatifida, Saccorhiza polyschides, Sargassum vulgare, and Padina pavonica—Phaeophyceae, Ochrophyta) are analyzed by spectroscopic…

Chloramphenicol·cyclodextrin inclusion compounds: co-dissolution and mechanochemical preparations and antibacterial action Abstract Beta-Cyclodextrin (beta CD) inclusion compounds of chloramphenicol in the solid-state were prepared via two different procedures, co-crystallisation from aqueous solution and the solvent-free method of co-grinding. Chloramphenicol inclusion into permethylated beta CD (TRIMEB) was also performed by co-dissolution in ethanol. The co-crystallisation procedure was…

On the Relevance of Considering the Intermolecular Interactions on the Prediction of the Vibrational Spectra of Isopropylamine Abstract The effects of implicitly considering the effects of hydrogen bonding on the molecular properties, such as vibrational frequencies, were inferred on the basis of DFT calculations. Several clusters of isopropylamine were assembled and theoretically characterized. The results…