DSCM NEWS

100 Years in Chemistry - DSCM students

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

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

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...

 

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machine hamiltoniansCongratulations 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.

delta scf excitedstateCongratulations 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.

giorgi binacchiCongratulations 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.

anticancer marottaCongratulations 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 activationPhytochromes 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?

iron gall inkCongratulations to our PhD student Adele Ferretti for her publication entitled "A model iron gall ink: an indepth study of ageing processes involving gallic acid". Iron gall inks have been among the most used writing materials, thus representing an important element of historical and artistic heritage of our society. Conversely, many conservation issues arise from the presence of iron gall inks in manuscripts and drawings, as a conspicuous fading of the text and paper acidification and degradation.

DCCI|UNIPI
Dipartimento di Chimica
e Chimica Industriale
Department of Chemistry

and Industrial Chemistry
Via G. Moruzzi, 13 - Pisa, Italy
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Corso di Dottorato in
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