Publications

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Results: 98

Haiyan Huang, Lilia Kinziabulatova, Anju Manickoth, Yiming Zhang, MarisaA. Barilla, Lluís Blancafort, Bern Kohler, Jean-Philip Lumb
An iterative synthesis of poly-substituted indole oligomers reveals a short effective conjugation length in eumelanin model compounds
Chem. Sci., 2025, 16, 4537-4548
DOI: 10.1039/D4SC08610D
OpenAccess: Link
Keywords: Computational chemistry, Spectroscopy

Nicola Ferrara, Germano Giuliani, Marios Maimaris, Salvatore Prioli, Madushanka Manathunga, Lluís Blancafort, Jérémie Léonard, Andrea Cappelli, Massimo Olivucci, Marco Paolino
Design, Synthesis, and Characterization of pH-Resettable Photoswitches Mimicking the GFP Fluorophore Structure
J. Phys. Chem. B, 2025, 129, 2845-2855
DOI: 10.1021/acs.jpcb.4c07003
OpenAccess: –
Keywords: Computational chemistry, Excited states, Reaction mechanisms

Mario Saletti, Marco Paolino, Jacopo Venditti, Gianluca Giorgi, Claudia Bonechi, Alessandro Donati, Claudio Rossi, Germano Giuliani, Antonella Caterina Boccia, Chiara Botta, Lluís Blancafort, Andrea Cappelli
Photophysical and Photochemical Features of Lysine Derivatives Bearing Two Triphenylaminocinnamic-Based Fluorophores
J. Phys. Chem. B, 2025, 129, 3928-3937
DOI: 10.1021/acs.jpcb.5c01032
OpenAccess: –
Keywords: Computational chemistry, Excited states

Mario Saletti, Marco Paolino, Jacopo Venditti, Claudia Bonechi, Germano Giuliani, Stefania Lamponi, Giusy Tassone, Antonella Boccia, Chiara Botta, Lluís Blancafort, Federica Poggialini, Chiara Vagaggini, Andrea Cappelli
A Facile Access to Green Fluorescent Albumin Derivatives
ChemBioChem, 2024, 25, e262023008
DOI: 10.1002/cbic.202300862
OpenAccess: –
Keywords: Biomolecules and biomaterials, Computational chemistry, Excited states

Jun Wang, Yuting Huang, Yajing Wang, Bo Durbeej, Lluís Blancafort
Investigating Excited States and Absorption Spectra of the Poly-cyclopenta-dithiophene-benzothiadiazole Oligomers (Poly-CPDTBT)—A Theoretical Study
Molecules, 2024, 29, 5348-
DOI: 10.3390/molecules29225348
OpenAccess: Link
Keywords: Computational chemistry, Electron and energy transfer, Excited states, Photovoltaic materials

Xueqing Wang, Lilia Kinziabulatova, Marco Bortoli, Anju Manickoth, Marisa A. Barilla, Haiyan Huang, Lluís Blancafort, Bern Kohler, Jean-Philip Lumb
Indole-5,6-quinones display hallmark properties of eumelanin
Nat. Chem., 2023, 15, 787-793
DOI: 10.1038/s41557-023-01175-4
OpenAccess: –
Keywords: Computational chemistry

EleanorK. Ashworth, Min-Hsien Kao, CateS. Anstöter, Gerard Riesco-Llach, Lluís Blancafort, KyrilM. Solntsev, StephenR. Meech, JanR.R. Verlet, JamesN. Bull
Alkylated green fluorescent protein chromophores: dynamics in the gas phase and in aqueous solution
Phys. Chem. Chem. Phys., 2023, 25, 23626-23636
DOI: 10.1039/D3CP03250G
OpenAccess: –
Keywords: Biomolecules and biomaterials, Computational chemistry, Spectroscopy

Lluís Blancafort
Switching between emission and photochemistry in an aggregation‐induced emitter with extended conjugation
Aggregate, 2022, 3, e238
DOI: 10.1002/agt2.238
OpenAccess: Link
Keywords: Light-driven synthesis, Photochemistry

Daniel Bosch, Jun Wang, Lluís Blancafort
Fingerprint-based deep neural networks can model thermodynamic and optical properties of eumelanin DHI dimers
Chem. Sci., 2022, 13, 8942-8946
DOI: 10.1039/D2SC02461F
OpenAccess: Link
Keywords: Computational chemistry, Density Functional Theory, Excited states, Machine learning, Melanin

Junkai Liu, Haoke Zhang, Lianrui Hu, Jun Wang, Jacky W.Y. Lam, Lluís Blancafort, BenZhong Tang
Through-Space Interaction of Tetraphenylethylene: What, Where, and How
J. Am. Chem. Soc., 2022, 144, 7901-7910
DOI: 10.1021/jacs.2c02381
OpenAccess: –
Keywords: Excited states