Abstract In this study, we present an atomic-level structural investigation of the magainin 2 antimicrobial peptide reconstituted in extended lipid bilayers that closely mimic the composition of bacterial membranes. Using state-of-the-art solid-state NMR spectroscopy, we show that within…
Abstract The 1:1 complex of a bis(acridinium-Zn(II)porphyrin) host and a tetrapyridyl free-base porphyrin guest shows a remarkable interplay of energy and electron transfer (eT) processes, finely tuned by the solvent polarity or the selection of the photoexcited component. A more polar environment…
Abstract Following a recent work [E. Fromager, J. Phys. Chem. A 2025, 129 (4), 1143−1155] on the ensemble density functional theory (DFT) of excited electronic energy levels, we derive, in this paper, the ensuing static linear response theory, thus allowing for an in-principle exact evaluation of…
Abstract Vectofusin (VF) is a histidine-rich amphipathic peptide designed to enhance lentiviral transduction for gene therapeutic applications, where its assembly into fibrils requires polyvalent anions. In this study, we used solid-state NMR, transmission electron microscopy, and titration…
Abstract Cathelicidin-BF (CatBF) is a LL-37 homologous antimicrobial peptide (AMP) isolated from Bungarus fasciatus with an exceptional portfolio of antimicrobial, antiviral, antifungal, and anticancer activities. Contrary to many AMPs, it showed a good pharmacological profile with a half-life of…
Abstract Here we present studies of the structure and membrane interactions of ecPis-4 s, a new antimicrobial peptide from the piscidin family, which shows a wide-range of potential biotechnological applications. In order to understand the mode of action ecPis-4 s, the peptide was chemically…
Abstract Background/Objectives: This study investigates the structural and biophysical properties of the wild-type antimicrobial peptide LyeTx I, isolated from the venom of the spider Lycosa erythrognatha, and its analog LyeTx I-b, designed to enhance antibacterial activity, selectivity, and…
Abstract Cyclodextrins (CDs) are bio-based and biodegradable oligosaccharides, enzymatically derived from starch, offering low toxicity and renewability, thus representing an interesting renewable feedstock. While chemical modification allows for precise tailoring of their properties, greater…
Abstract This study shows that the nanoparticles produced by the reductive decomposition of a cobalt (+III) metallacycle derived from 2-phenylpyridine upon treatment with the highly nucleophilic Na[Et3BH] are capable of promoting the Kumada- Corriu cross coupling of aryl halides with…
Abstract Molecular structures comprising naturally-occurring, stereodefined cyclodextrins and binaphthyls as bridging units have been realized, designed in such a way that the stereocommunication mode between the two chiral entities is unfavourable ('chiral mismatch'). The induced strain translates…
Abstract The cell plasma membrane acts as a semi-permeable barrier essential for cellular protection and function, posing a challenge for therapeutic molecule delivery. Conventional techniques for crossing this barrier, including biophysical and biochemical methods, often exhibit limitations such…
Abstract Overproduction of reactive oxygen species (ROS) is involved in several diseases. Copper can be an efficient catalysts for ROS generation, as it was suggested for Cu bound to aberrant sites. Determination of rates and type of ROS production in more complex biological media is challenging…
Abstract Alzheimer's disease (AD) is a complex neurodegenerative disorder characterized by progressive decline of cognitive functions, yet its underlying aetiology remains elusive. While amyloid-β (Aβ) and tau pathologies have been extensively studied, emerging evidence suggests that metal and…
Abstract Imaging extracellular Cu2+ in vivo is important due to its role in physiological and pathological processes. Magnetic resonance imaging is a promising modality for this purpose but developing contrast agents selective for Cu2+ over abundant Zn2+ ions remains a challenge. We synthesized and…
Abstract Selective chemical modifications of biomolecules are in high demand for the development and implementation of chemical biology strategies. Methods involving radicals have emerged as powerful options yet potentially generate side reactivities when involving harsh reaction conditions. We…
Abstract We report the design and synthesis of ratiometric 19F-ATCUN (Xxx-Zzz-His) peptide probes for the selective and reversible detection of Ni2⁺ and Cu2⁺ by 19F NMR spectroscopy. In contrast to fluorescence-based approaches, 19F NMR enables background-free detection in biological media, due to…
Abstract Cooperative multielectron transfer is central to electron storage strategies and small-molecule activation and involves a thermodynamically favored second electron transfer occurring after the first electron transfer. This is the trademark of molecular systems with inverted redox…
Abstract Selective and strategic modification of redox cofactors offers significant advantages for the design of molecular probes, including high compatibility and affinity. This is particularly relevant in the case of redox cofactors with innate fluorescence properties, such as flavins, and…
Abstract IspH is the last enzyme of the methylerythritol phosphate pathway. It catalyzes the reductive dehydroxylation of (E)-4-hydroxy-3-methyl-but-2-en-1-yl diphosphate into isopentenyl diphosphate (IPP) and dimethylallyl diphosphate (DMAPP), which are precursors for the biosynthesis of…
Summary Calcium salts consisting of Ca2+ weakly coordinated by carborate counterions have been prepared through anhydrous and aqueous methods. The Ca2+ center is sufficiently Lewis acidic to weakly coordinate olefins, alkynes and aromatics, and catalyze the hydrosilylation of 1-hexene and several…
