Publications

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Results: 23

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, [], ASAP-
DOI: 10.1039/D4SC08610D
OpenAccess: Link
Keywords: Computational chemistry, Spectroscopy

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

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

Ivan Djordjevic, Gautama Wicaksono, Ivan Šolić, Juhi Singh, TanviSushil Kaku, Sierin Lim, ElwinWeiJian Ang, Lluís Blancafort, Terry W.J. Steele
Rapid Activation of Diazirine Biomaterials with the Blue Light Photocatalyst
ACS Appl. Mater. Interfaces, 2021, 13, 36839-36848
DOI: 10.1021/acsami.1c08581
OpenAccess: –
Keywords: Computational chemistry, Excited states, Photochemistry

Lluís Blancafort, Jun Wang
Stability and optical absorption of a comprehensive virtual library of minimal eumelanin oligomer models
Angew. Chem. Int. Ed., 2021, 60, 18800-18809
DOI: 10.1002/anie.202106289
OpenAccess: –
Keywords: Computational chemistry, Density Functional Theory, Excited states, Photochemistry, Spectroscopy

Neville J. A. Coughlan, Mark H. Stockett, Christina Kjær, Eleanor K. Ashworth, Philip C. Bulman Page, Stephen R. Meech, Steen Brøndsted Nielsen, Lluís Blancafort, W. Scott Hopkins, James N. Bull
Action spectroscopy of the isolated red Kaede fluorescent protein chromophore
J. Chem. Phys., 2021, 155, 124304-
DOI: 10.1063/5.0063258
OpenAccess: –
Keywords: Computational chemistry, Excited states, Spectroscopy

Lucia Viglianti, Ni Xie, Herman H. Y. Sung, Alexander A. Voityuk, Nelson L. C. Leung, Yujie Tu, Clara Baldoli, Ian D. Williams, Ryan T. K. Kwok, Jacky W. Y. Lam, Emanuela Licandro, Lluís Blancafort, Ben Zhong Tang
Unusual Through‐Space Interactions between Oxygen Atoms Mediate Inverse Morphochromism of an AIE Luminogen
Angew. Chem. Int. Ed., 2020, 59, 8552-8559
DOI: 10.1002/anie.201908573
OpenAccess: –
Keywords: Computational chemistry, Excited states, Photochemistry, Reaction mechanisms, Real-space analysis