A5043791282- Synthesis and Properties of Aromatic Compounds
- Luminescence and Fluorescent Materials
- Trace Elements in Health
- Protein Structure and Dynamics
- Molecular spectroscopy and chirality
- DNA and Nucleic Acid Chemistry
- Alzheimer's disease research and treatments
- Nerve injury and regeneration
- Prion Diseases and Protein Misfolding
- Drug Transport and Resistance Mechanisms
- Solid-state spectroscopy and crystallography
- Enzyme Structure and Function
- Perovskite Materials and Applications
- Nuclear Receptors and Signaling
- RNA and protein synthesis mechanisms
- Advanced Condensed Matter Physics
- Spectroscopy and Quantum Chemical Studies
- Supramolecular Self-Assembly in Materials
- Photochromic and Fluorescence Chemistry
- X-ray Diffraction in Crystallography
- Organic Electronics and Photovoltaics
- Chemical Synthesis and Analysis
- Advanced Chemical Physics Studies
- Endoplasmic Reticulum Stress and Disease
- Metal complexes synthesis and properties
Magna Graecia University
2016-2025
PromoFirenze
2015-2021
Hokkaido University
2015
University of Catania
2005-2011
ETH Zurich
2011
University of Bologna
2007-2009
Institute of Biostructure and Bioimaging
2008
National Interuniversity Consortium of Materials Science and Technology
2007
In computational physics, chemistry, and biology, the implementation of new techniques in shared open-source software lowers barriers to entry promotes rapid scientific progress. However, effectively training users presents several challenges. Common methods like direct knowledge transfer in-person workshops are limited reach comprehensiveness. Furthermore, while COVID-19 pandemic highlighted benefits online training, traditional tutorials can quickly become outdated may not cover all...
Abstract Accumulation of neurotoxic amyloid‐β peptide (Aβ) and alteration metal homeostasis (metallostasis) in the brain are two main factors that have been very often associated with neurodegenerative diseases, such as Alzheimer’s disease (AD). Aβ is constantly produced from amyloidprecursor‐protein APP precursor immediately catabolized under normal conditions, whereas dysmetabolism and/or ions seems to lead a pathological deposition. Although insulin‐degrading enzyme (IDE) metalloprotease...
Helical polymers with switchable screw sense are versatile frameworks for chiral functional materials. In this work, we reconstructed the free energy landscape of helical poly(2,7-bis(4-tert-butylphenyl)fluoren-9-yl acrylate) [poly(BBPFA)], as its racemization is selectively driven by light without any rearrangement chemical bonds. The chirality inversion was enforced atomistic simulations using indices reaction coordinates. reproduced experimental electronic circular dichroism spectra. We...
Abstract A chirality‐switching free‐energy landscape was reconstructed on a 43‐mer of poly(9,9‐dioctylfluoren‐2,7‐diyl) (PDOF). The simulations were conducted amorphous silica surface as well in the vacuum phase for single chain or group sixteen chains. achiral‐to‐chiral transition occurs only (activation 35 kcal mol −1 ), where enantiomeric (homochiral) basins are detected. This supported by experiments effective chirality induction to PDOF using circularly polarized light (CPL) attained...
Optically active, hyperbranched, poly(fluorene-2,4,7-triylethene-1,2-diyl) [poly(fluorenevinylene)] derivatives bearing a neomenthyl group and pentyl at the 9-position of fluorene backbone various ratios acted as chirality donor (host polymers) efficiently included naphthalene, anthracene, pyrene, 9-phenylanthracene, 9,10-diphenyanthracene acceptor (guest molecules) in their interior space film well solution, with guest molecules exhibiting intense circular dichroism through transfer...
Abstract Brain‐derived neurotrophic factor (BDNF) is a neurotrophin that influences development, maintenance, survival, and synaptic plasticity of central peripheral nervous systems. Altered BDNF signaling involved in several neurodegenerative disorders including Alzheimer’s disease. Metal ions may influence the activity it well known alteration Cu 2+ homeostasis prominent development neurological pathologies. The N‐terminal domain represents recognition site its specific receptor TrkB,...
Mounting evidence suggests an important role of cyclodextrins in providing protection neurodegenerative disorders. Metal dyshomeostasis is reported to be a pathogenic factor neurodegeneration because it could responsible for damage involving oxidative stress and protein aggregation. As such, metal ions represent effective target. To improve the metal-binding ability cyclodextrin, we synthesized three new 8-hydroxyquinoline-cyclodextrin conjugates with difunctionalized cyclodextrins. In...
Nerve growth factor (NGF) is a protein necessary for development and maintenance of the sympathetic sensory nervous systems. We have previously shown that NGF N-terminus peptide NGF(1-14) sufficient to activate TrkA signaling pathways essential neuronal survival induce an increase in brain-derived neurotrophic (BDNF) expression. Cu2+ ions played critical role modulation biological activity NGF(1-14). Using computational, spectroscopic, biochemical techniques, here we report on ability newly...
Models of chiral hybrid perovskites are studied by ab initio molecular dynamics, projected density states, TD-DFT and ECD spectra calculations to clarify how the bias affects inorganic octahedra it differs in lead tin cases.
Insulin is the hormone mainly involved in widespread diseases such as diabetes mellitus. It widely recognized that metal ions zinc(II) well insulin degradation and fragments are inexplicably linked to action. Insulin‐degrading enzyme (IDE) has been identified main factor of degradation, but it still unknown exact way location at which IDE action toward occurs how can modulate this interaction. Interestingly, some have different biological activity from intact hormone, not clear they be...
The nerve growth factor (NGF) N-terminus peptide, NGF(1-14), and its acetylated form, Ac-NGF(1-14), were investigated to scrutinise the ability of this neurotrophin domain mimic whole protein. Theoretical calculations demonstrated that non-covalent forces assist molecular recognition TrkA receptor for both peptides. Combined parallel tempering/docking simulations discriminated effect N-terminal acetylation on NGF(1-14) towards 5 (TrkA-D5). Experimental findings Ac-NGF(1-14) activate...
An unprecedented non-uniform self-folding of artificial polymer chains composed turn moieties and stretched segments is presented through the design a set optically active poly(fluorene-2,7-diylethene-1,2-diyl) (poly(fluorenevinylene)) derivatives bearing neomenthyl group pentyl attached at 9-position fluorene backbone various ratios. The folded structure formed stabilized inter-chain interactions in solid state, leading to remarkably enhanced chiroptical properties (chirality amplification)...
Hybrid organic–inorganic perovskites (HOIPs) are promising materials in optoelectronics, particularly for photovoltaic applications, due to their tunable properties and ease of fabrication. Among them, chiral HOIPs gaining attention unique chiroptical properties, by the incorporation organic molecules into structure. Despite potential, relationship between HOIP structures such as circular dichroism (CD) spectra, remains challenging decrypt. This study introduces a simulation workflow based...
This study examines the early-stage nucleation of chiral perovskites, uncovering a stepwise kinetic mechanism across timescales from picoseconds to microseconds.
Brain-derived neurotrophic factor (BDNF) is a neurotrophin essential for neuronal differentiation, growth, and survival; it involved in memory formation higher cognitive functions. The N-terminal domain of BDNF crucial the binding selectivity activation its specific TrkB receptor. Zn2+ ion may influence activity. complexes with peptide fragment BDNF(1–12) encompassing sequence 1–12 were studied by means potentiometry, electrospray mass spectrometry, NMR, density functional theory (DFT)...
Ever since the discovery of its neurite growth promoting activity in sympathetic and sensory ganglia, nerve factor (NGF) became prototype large family neurotrophins. The use primary cultures clonal cell lines has revealed several distinct actions NGF other Among models activity, line PC12 is most widely employed. Thus, presence NGF, through activation transmembrane protein TrkA, these cells undergo a progressive mitotic arrest start to grow electrically excitable neuritis. A vast number...
Insulin degrading enzyme: a metalloprotease with ubiquitin activating ability.
Neurotrophins are a family of growth factors that play key role in the development and regulation functioning central nervous system. Their use as drugs is made difficult by their poor stability, cellular permeability, side effects. Continuing our effort to peptides mimic neurotrophic factor (NGF), model protein, specifically N-terminus here we report on spectroscopic characterization resistance hydrolysis 14-membered cyclic peptide reproducing sequence (SSSHPIFHRGEFSV (c-NGF(1–14)). Far-UV...