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Impact of core-shell perovskite nanocrystals for LED applications: successes, challenges, and prospects
(The Royal Society of Chemistry, 2023-07-24)
Perovskite nanocrystals (PeNCs) synthesized by colloidal solution methods are an outstanding case of study due to their remarkable optical features, different from their bulk counterpart, such as a tuneable band gap and ...
Gold(I) Complex with a Photoactive Ligand Behaves as a Two-in-One Dual Metallaphotoredox Cross-Coupling Catalyst
(American Chemical Society, 2024-02-29)
We herein describe the use of a gold complex with a naphthalene-di-imide-functionalized N-heterocyclic carbene (NDI-NHC) ligand, which was used as a photocatalyst for a variety of reactions. Due to the presence of the ...
“Anion-Switchable” Pincer-Mn(I) Catalyst for the Reductive N-Methylation of Amines with Formic Acid and CO2
(American Chemical Society, 2024-05-01)
We report a manganese(I) complex of formula [Mn(NDI-CNC)(CO)3](BArF4), in which NDI-CNC refers to a pincer pyridine-bis-imidazolylidene ligand functionalized with a naphthalene-diimide (NDI) moiety. Due to the presence of ...
Caught in Action: X-ray Structure of Thymidylate Synthase with Noncovalent Intermediate Analog
(American Chemical Society, 2021-04-08)
Methylation of 2-deoxyuridine-5′-monophosphate (dUMP) at the C5 position by the obligate dimeric thymidylate synthase (TSase) in the sole de novo biosynthetic pathway to thymidine 5′-monophosphate (dTMP) proceeds by forming ...
Supramolecular Control of the Oxidative Addition as a Way To Improve the Catalytic Efficiency of Pincer-Rhodium (I) Complexes
(Wiley, 2023-07-21)
H-1 NMR studies using a cationic complex with a pyridine-di-imidazolylidene pincer ligand of formula [Rh(CNC)(CO)](+) revealed that this compound showed high binding affinity with coronene in CH2Cl2. The interaction between ...
On the Origin of the Different Reversible Characters of Salinosporamide A and Homosalinosporamide A in the Covalent Inhibition of the Human 20S Proteasome
(American Chemical Society, 2021-09-17)
Covalent inhibition of the 20S proteasome is one of the strategies used in the fight against cancer, Chagas’ disease, malaria, tuberculosis, or neurodegenerative disorders. In this work, studies based on quantum ...
Nature of Irreversible Inhibition of Human 20S Proteasome by Salinosporamide A. The Critical Role of Lys–Asp Dyad Revealed from Electrostatic Effects Analysis
(American Chemical Society, 2021-03-05)
20S proteasome is the enzymatic core engine involved in the processes of cellular protein regulation, thus becoming a promising target inter alia in the therapy of many diseases. In this work, the mechanism of the irreversible ...
Secondary Amine Catalysis in Enzyme Design: Broadening Protein Template Diversity through Genetic Code Expansion
(Wiley, 2024)
Secondary amines, due to their reactivity, can transform protein templates into catalytically active entities, accelerating the development of artificial enzymes. However, existing methods, predominantly reliant on modified ...
Mechanism of inhibition of SARS-CoV-2 Mpro by N3 peptidyl Michael acceptor explained by QM/MM simulations and design of new derivatives with tunable chemical reactivity
(Royal Society of Chemistry, 2021)
The SARS-CoV-2 main protease (Mpro) is essential for replication of the virus responsible for the COVID-19 pandemic, and one of the main targets for drug design. Here, we simulate the inhibition process of SARS-CoV-2 Mpro ...