DSCM NEWS
100 Years in Chemistry - DSCM students
Gli allievi del 1° anno di dottorato DSCM celebreranno l'anniversario del premio Nobel conferito a Niels Bohr con l'iniziativa "Niels Bohr and the atomic model: 100 years from the Nobel...
Al Dott. Gianluca Casotti il premio C.I.N.M.P.I.S. per la miglior Tesi di dottorato 2022
Il Dott. Gianluca Casotti, attualmente assegnista di ricerca presso i laboratori Molecolab/SoS&PePsy del nostro dipartimento DCCI, è stato premiato dal C.I.N.M.P.I.S., Consorzio Interuniversitario Nazionale di ricerca in Metodologie e Processi...
Bando per il 38° ciclo - Call for 38th cycle
Il bando per il 38° ciclo del Dottorato è stato pubblicato sul sito UNIPI https://dottorato.unipi.it/index.php/it/concorsi-d-ammissione-a-a-2022-2023/item/667.html con scadenza 8 Agosto.The call for the 38th cycle of the PhD has been published...
Congratulations to our PhD student Gianni Pecorini for his publication entitled "Polymeric Systems for the Controlled Release of Flavonoids" in Pharmaceutics. In this article the different classes of flavonoids are described together with the polymers most commonly employed for drug delivery applications. Representative drug delivery systems are discussed, highlighting the most common techniques for their preparation. The flavonoids investigated for polymer system encapsulation are then presented with their main source of extraction and biological properties.
Congratulations to our PhD student Edoardo Cignoni for his publication entitled "Machine Learning Exciton Hamiltonians in Light-Harvesting Complexes" in the Journal of Chemical Theory and Computation. They propose a machine learning (ML)-based strategy for an inexpensive calculation of excitonic properties of light-harvesting complexes (LHCs). The strategy uses classical molecular dynamics simulations of LHCs in their natural environment in combination with ML prediction of the excitonic Hamiltonian of the embedded aggregate of pigments.
Congratulations to our PhD student Patrizia Mazzeo for her publication entitled "Fast Method for Excited-State Dynamics in Complex Systems and Its Application to the Photoactivation of a Blue Light Using Flavin Photoreceptor". The excited-state dynamics of molecules embedded in complex (bio)matrices is still a challenging goal for quantum chemical models. Hybrid QM/MM models have proven to be an effective strategy, but an optimal combination of accuracy and computational cost still has to be found.
Congratulations to our Ph.D. students Ester Giorgi and Francesca Binacchi for their scientific publication entitled “Highlights of New Strategies to Increase the Efficacy of Transition Metal Complexes for Cancer Treatments” in Molecules.In this article, two promising strategies to increase the efficacy of transition metal-based complexes were reviewed. First, was considered the possibility of assembling two biologically active fragments containing different metal centres into the same molecule, thus obtaining a heterobimetallic complex.
Congratulations to our PhD student Carlo Marotta for his scientific publication entitled “An overview of recent advancements in anticancer Pt(IV) prodrugs: new smart drug combinations, activation and delivery strategies ” in Inorganica Chimica Acta. In this article, the most recent advancements made in the field of anticancer Pt(IV) complexes were reviewed. First, have been described Pt(IV) complexes functionalized with molecules that could increase the anticancer activity of the entire complex.
Phytochromes are ubiquitous photoreceptors responsible for sensing light in plants, fungi and bacteria. Their photoactivation is initiated by the photoisomerization of an embedded chromophore, triggering large conformational changes in the protein. Despite numerous experimental and computational studies, a lot of questions remain unanswered: what happens to the chromophore just after light absorption? How does the environment affect the entire activation process?