Publications by authors named "Andrea Simion"
Article Synopsis
- Silibinin (SIL) from Silybum marianum has beneficial effects but suffers from low stability and bioavailability, prompting the research into its derivatives, silibilin oleate (SIL-O) and silibilin linoleate (SIL-L), as prodrugs for better biomedical applications.
- Characterization techniques like DFT calculations and NMR confirmed the successful formation of SIL-O and SIL-L, showing they have lower drug-likeness scores than SIL but still a positive overall drug score with no severe side effects expected.
- While SIL-O showed no toxicity at low concentrations, SIL-L was more toxic at high doses, particularly affecting certain cell types and demonstrating a slight irritant effect; thus,
A new heteronuclear decoupling sequence for solid-state NMR and magic angle spinning faster than 60 kHz was recently introduced [Simion et al., J. Chem.
View Article and Find Full Text PDFA new heteronuclear decoupling pulse sequence is introduced, dubbed ROtor-Synchronized Phase-Alternated Cycles (ROSPAC). It is based on a partial refocusing of the coherences (spin operator products or cross-terms) [Filip et al., J.
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- This paper explores the atomic-scale structure of core-shell aluminosilicate materials, focusing on the complexities due to their amorphous nature.
- It utilizes advanced solid-state NMR techniques to study silica core-alumina shell microspheres, both undoped and doped with gadolinium ions, synthesized using the Stöber method.
- The findings reveal a new alumino-silicate layer at the interface where silicon and aluminum ions migrate, leading to significant structural changes and a stable core-shell arrangement.
The co-crystals formation of etravirine with three carboxylic acids was investigated. New co-crystals of etravirine with adipic acid, benzoic acid, and 4-hydroxybenzoic acid have been synthesized by wet milling of ingredients for 120 min. The novelty of these solid forms was first evidenced by powder X-ray diffraction.
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