Publications by authors named "Ana Carolina Ferreira de Albuquerque"
Article Synopsis
- Five new lignanamides and ten known amides were extracted from the roots' chloroform extract, with new compounds identified through NMR and mass spectrometry.
- The absolute configuration of one compound was determined using ECD experiments and quantum mechanical calculations.
- The anti-inflammatory effects of these compounds were tested on macrophages, showing that all reduced nitric oxide levels, while one compound did not significantly affect IL-10 levels, indicating potential anti-inflammatory properties.
Milligram scale enantioresolution of promethazine and its main metabolites, determination of their absolute configuration and assessment of enantioselective effects on human SY-SY5Y cells.
J Pharm Biomed Anal
August 2024
Article Synopsis
- The recent rise in pharmaceutical misuse, especially among teens, highlights serious health risks associated with drugs like promethazine (PMZ), often consumed in a dangerous concoction known as "Purple Drank."
- Newly conducted research focused on separating PMZ and its toxic metabolites into their individual chiral forms, revealing significant differences in toxicity among them.
- The study found that one metabolite, (R,S)-DMPMZ, was much more toxic than PMZ itself, pointing to a potential risk in its metabolic activation, while another metabolite, (R,S)-PMZSO, showed little to no toxicity, indicating a detoxification process.
7.1',8.3'- and 7.3',8.5'-Connected Bicyclo[3.2.1]octanoids and Oxabicyclo[3.2.2]nonane-Type Neolignans from : Structures and Absolute Configurations.
J Nat Prod
March 2024
The phytochemical investigation of the leaves and trunk bark of a specimen of collected in the southern portion of the Amazon forest led to the isolation of an oxabicyclo[3.2.2]nonane-type neolignan and 15 bicyclo[3.
View Article and Find Full Text PDFThe combination of computational methods and experimental data from Nuclear Magnetic Resonance (NMR) is a considerably valuable tool in the elucidation of new natural product structures and, also, in the structural revision of previously reported compounds. Until recently, only classical statistical parameters were used, for example, linear correlation coefficient (R ), mean absolute error (MAE), or root mean square deviation (RMSD), as a way to statistically "validate" the structure pointed out by experimental NMR spectra. Regarding the resolution of the relative configuration of organic molecules, novel tools were available in the last few years to assist in the NMR elucidation process.
View Article and Find Full Text PDFNuclear magnetic resonance (NMR) spectroscopy is one of the most important tools for determining the structures of organic molecules. Despite the advances made in this technique, revisions of erroneously established structures for natural products are still commonly published in the literature. In this context, the prediction of chemical shifts through ab initio and density functional theory (DFT) calculations has become a very powerful tool for assisting with the structural determination of complex organic molecules.
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