Publications

2025

• Spatial distribution and stability of Gd_0.6Eu_0.4VO₄ nanoparticles injected in mouse ear pinnae
  
  • Proiou Eleni
  • Pinakidou Fani
  • Paloura Eleni C
  • Pétri Nicolas
  • Gacoin Thierry
  • Laplace-Builhé Corinne
  • Schuck Götz
  • Alexandrou Antigoni
  • Katsikini Maria
  Trends in Analytical Chemistry, Elsevier, 2025, 182, pp.118049. X-Ray Fluorescence (XRF) mapping is employed for the study of the spatial distribution of GdVO₄:Eu nanoparticles (NPs) after their injection into mouse ear pinnae. The injected NP colloids were detectable in a concentration range from 5 to 30 mM in vanadate ions (90-530 nM in NP concentrations). The distribution maps were recorded separately for Gd, Eu, and V and reveal that the three elements are collocalized, indicating the NP stability after the injection. The distribution pattern of the NPs is not homogeneous; they follow bifurcated paths of easy flow demonstrating the complexity of the tissue-colloid interactions. The V-K, Gd-L 3 and Eu-L 3 -edge Xray Absorption Fine Structure (XAFS) spectra of the NPs recorded prior to and after their injection confirm that the integrity of the nanoparticles is preserved after injection. This combined XRF/XAFS analysis paves the way for studies on the long-term fate of injected Gd-containing NPs in tissues. (10.1016/j.trac.2024.118049)
  DOI : 10.1016/j.trac.2024.118049
• I-motif formation in the promoter region of the B-MYB proto-oncogene
  
  • Alves André
  • Miranda André
  • Zanin Irene
  • Richter Sara N
  • Mergny Jean-Louis
  • Cruz Carla
  International Journal of Biological Macromolecules, Elsevier, 2025, 296, pp.139582. Understanding the mechanisms of carcinogenesis is essential to combat cancer. The search for alternative targets for anticancer therapy has gained interest, particularly when focused on upstream pathways. This strategy is particularly relevant when the encoded target proteins are knownor believed -to be "undruggable", as has been reported for the B-MYB oncogene. This gene, which regulates survival and cell cycle regulation, is overexpressed in cancer and correlates with an unfavorable prognosis. In this study, we focused on the identification of the i-motif (iM) structures in the promoter region of B-MYB as a possible anticancer target, with a complete biophysical characterization and in cell formation assessment using iM-CUT&amp;Tag. Additionally, the interaction of the iM structures with a library of small molecules was investigated.</p></div> (10.1016/j.ijbiomac.2025.139582)
  DOI : 10.1016/j.ijbiomac.2025.139582
• Mechanism of Ultrafast Flavin Photoreduction in the Active Site of Flavoenzyme LSD1 Histone Demethylase
  
  • Zhuang Bo
  • Ramodiharilafy Rivo
  • Aleksandrov Alexey
  • Liebl Ursula
  • Vos Marten H
  Chemical Science, The Royal Society of Chemistry, 2025, 16, pp.338 - 344. Photoreduction of oxidized flavins has a functional role in photocatalytic and photoreceptor flavoproteins. In flavoproteins without light-dependent physiological functions, ultrafast, reversible flavin photoreduction is supposedly photoprotective by nature, and holds potential for nonnatural photocatalytic applications. In this work, we combine protein mutagenesis, ultrafast spectroscopy, molecular dynamics simulations and quantum mechanics calculations to investigate the nonfunctional flavin photoreduction in a flavoenzyme, lysine-specific demethylase 1 (LSD1) which is pivotal in DNA transcription. LSD1 harbors an oxidized flavin adenine dinucleotide (FAD) cofactor and multiple electron-donating residues in the active site. Upon photoexcitation, the FAD cofactor is photoreduced in &lt; 200 fs by electron transfer (ET) from nearby residue(s), and the charge pairs recombine in ca. 2 ps. Site-directed mutagenesis pinpoints a specific tryptophan residue, W751, as the primary electron donor, whereas a tyrosine residue, Y761, despite being located closer to the flavin ring, does not effectively contribute to the process. Based on a hybrid quantum–classical computational approach, we characterize the W751–FAD and Y761–FAD charge-transfer states (CTW751 and CTY761, respectively), as well as the FAD locally excited state (LEFAD), and demonstrate that the coupling between LEFAD and CTW751 is larger than those involving CTY761 by an order of magnitude, rationalizing the experimental observations. More generally, this work highlights the role of the intrinsic protein environment and details of donor–acceptor molecular configurations on the dynamics of short-range ET involving a flavin cofactor and amino acid residue(s). (10.1039/D4SC06857B)
  DOI : 10.1039/D4SC06857B
• Ultrafast dynamics of the UV-induced electronic relaxation in DNA guanine-thymine dinucleotides: from the Franck-Condon states to the minima of the potential energy surfaces
  
  • Petropoulos Vasilis
  • Martinez-Fernandez Lara
  • Uboldi Lorenzo
  • Maiuri Margherita
  • Cerullo Giulio
  • Balanikas Evangelos
  • Markovitsi Dimitra
  Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2025. We study the DNA dinucleotide 5’-dGpdT-3’ (abbreviated as GT) as a model system for the relaxation of the electronic excited states in stacked nucleobases. Quantum chemistry calculations determine the Franck-Condon... (10.1039/D5CP00788G)
  DOI : 10.1039/D5CP00788G