Publications by authors named "Jewel Ann Maria Xavier"

Visualization of a protein in its native form and environment without any interference has always been a challenging task. Contrary to the assumption that protein surfaces are smooth, they are in fact highly irregular with undulating surfaces. Hence, in this study, we have tackled this ambiguous nature of the 'surface' of a protein by considering the 'effective' protein surface (EPS) with respect to its interaction with the geometrically well-defined and structurally inert anionic molecule [3,3'-Co(1,2-CBH)], abbreviated as [-COSAN], whose stability, propensity for amine residues, and self-assembling abilities are well reported.

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The Na[3,3'-Fe(8-I-1,2-CBH)] and Na[2,2'-M(1,7-CBH)] (M = Co, Fe) small molecules are synthesized and the X-ray structures of [(HO)(HO)][2,2'-Co(1,7-CBH)] and [Cs(MeCN)][8,8'-I-Fe(1,2 CBH)], both displaying a conformation of the [M(CB)] framework, are reported. Importantly, the supramolecular structure of [(HO)(HO)][2,2'-Co(1,7-CBH)] presents 2D layers leading to a lamellar arrangement of the anions while the cation layers form polymeric water rings made of six- and four-membered rings of water molecules connected OH⋯H hydrogen bonds; B-H⋯O contacts connect the cationic and anionic layers. Herein, we highlight the influence of the ligand isomers (-/-), the metal effect (Co/Fe) on the same isomer, as well as the influence of the presence of the iodine atoms on the physical-chemical and biological properties of these molecules as antimicrobial agents to tackle antibiotic-resistant bacteria, which were tested with four Gram-positive bacteria, five Gram-negative bacteria, and three strains that have been responsible for human infections.

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Ferrocene and its derivatives have been extensively used as an internal reference in electrochemical processes. Yet, they possess limitations such as solvent restrictions that require chemical modifications. In this regard, we have studied the use of metallacarboranes [3,3'-M(1,2-CBH)] (M = Co, Fe) as general internal reference systems and have proven their suitability by thoroughly investigating their electrochemical properties in both aqueous and organic electrolytes without any derivatization.

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Purpose: The aim of our study was to assess if the sodium salt of cobaltabis(dicarbollide) and its di-iodinated derivative (Na[-COSAN] and Na[8,8'-I--COSAN]) could be promising agents for dual anti-cancer treatment (chemotherapy + BNCT) for GBM.

Methods: The biological activities of the small molecules were evaluated in vitro with glioblastoma cells lines U87 and T98G in 2D and 3D cell models and in vivo in the small model animal () at the L4-stage and using the eggs.

Results: Our studies indicated that only spheroids from the U87 cell line have impaired growth after treatment with both compounds, suggesting an increased resistance from T98G spheroids, contrary to what was observed in the monolayer culture, which highlights the need to employ 3D models for future GBM studies.

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Cobaltabis(dicarbollide) anion ([o-COSAN] ) is a well-known metallacarborane with multiple applications in a variety of fields. In aqueous solution, the cisoid rotamer is the most stable disposition in the ground state. The present work provides theoretical evidence on the possibility to photoinduce the rotation from the cisoid to the transoid rotamer, a conversion that can be reverted when the ground state is repopulated.

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A successful homogeneous photoredox catalyst has been fruitfully heterogenized on magnetic nanoparticles (MNPs) coated with a silica layer, keeping intact its homogeneous catalytic properties but gaining others due to the easy magnetic separation and recyclability. The amine-terminated magnetic silica nanoparticles linked noncovalently to H[3,3'-Co(1,2-CBH)] (H[]), termed MSNPs-NH@H[], are highly stable and do not produce any leakage of the photoredox catalyst H[] in water. The magnetite MNPs were coated with SiO to provide colloidal stability and silanol groups to be tethered to amine-containing units.

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