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Boosting Crop Growth using Natural Product and Synthesis Enabled Solar Harvesting

Deliverables

Synthesis (preliminary results)

Preliminary data pertaining to synthesis and production of a range of SM, DPP and PhyC analogues, all in >100 mg quantities (D1.1).

Spectroscopy (preliminary results)

Preliminary results pertaining to the spectroscopy

Theory and computation (preliminary results)

Preliminary results pertaining to theory and computation

Data management plan

Preparation of data management plan

Searching for OpenAIRE data...

Publications

Excited-state dynamics of isolated and (micro)solvated methyl sinapate: the bright and shady sides of a natural sunscreen

Author(s): Jiayun Fan, Wim Roeterdink, Wybren Jan Buma
Published in: Molecular Physics, Issue 119/1-2, 2021, Page(s) e1825850, ISSN 0026-8976
DOI: 10.1080/00268976.2020.1825850

A systematic approach to methyl cinnamate photodynamics

Author(s): Konstantina M. Krokidi, Matthew A. P. Turner, Philip A. J. Pearcy, Vasilios G. Stavros
Published in: Molecular Physics, Issue 119/1-2, 2021, Page(s) e1811910, ISSN 0026-8976
DOI: 10.1080/00268976.2020.1811910

Innovative Bio-Based Organic UV-A and Blue Light Filters from Meldrum’s Acid

Author(s): Cédric Peyrot, Matthieu M. Mention, Fanny Brunissen, Patrick Balaguer, Florent Allais
Published in: Molecules, Issue 25/9, 2020, Page(s) 2178, ISSN 1420-3049
DOI: 10.3390/molecules25092178

Fewest switches surface hopping with Baeck-An couplings

Author(s): Mariana T. do Casal, Josene M. Toldo, Max Pinheiro Jr, Mario Barbatti
Published in: Open Research Europe, Issue 1, 2021, Page(s) 49, ISSN 2732-5121
DOI: 10.12688/openreseurope.13624.1

Biomimetic regioselective and high-yielding Cu(I)-catalyzed dimerization of sinapate esters in green solvent CyreneTM: towards sustainable antioxidant and anti-UV ingredients

Author(s): Matthieu Mention, Amandine Lea Flourat, Cedric Peyrot, Florent Allais
Published in: Green Chemistry, 2020, ISSN 1463-9262
DOI: 10.1039/d0gc00122h

Sustainable Synthesis of p-Hydroxycinnamic Diacids through Proline-Mediated Knoevenagel Condensation in Ethanol: An Access to Potent Phenolic UV Filters and Radical Scavengers

Author(s): Benjamin Rioux, Cédric Peyrot, Matthieu M. Mention, Fanny Brunissen, Florent Allais
Published in: Antioxidants, Issue 9/4, 2020, Page(s) 331, ISSN 2076-3921
DOI: 10.3390/antiox9040331

Conservation of ultrafast photoprotective mechanisms with increasing molecular complexity in sinapoyl malate derivatives

Author(s): Lewis A. Baker, Michael Staniforth, Amandine L. Flourat, Florent Allais, Vasilios G. Stavros
Published in: ChemPhysChem, 2020, ISSN 1439-4235
DOI: 10.1002/cphc.202000429

On the origin of the shift between vertical excitation and band maximum in molecular photoabsorption

Author(s): Shuming Bai, Ritam Mansour, Ljiljana Stojanović, Josene M. Toldo, Mario Barbatti
Published in: Journal of Molecular Modeling, Issue 26/5, 2020, Page(s) 107, ISSN 1610-2940
DOI: 10.1007/s00894-020-04355-y

Exploring the Photochemistry of an Ethyl Sinapate Dimer: An Attempt Toward a Better Ultraviolet Filter

Author(s): Michael D. Horbury, Matthew A. P. Turner, Jack S. Peters, Matthieu Mention, Amandine L. Flourat, Nicholas D. M. Hine, Florent Allais, Vasilios G. Stavros
Published in: Frontiers in Chemistry, Issue 8, 2020, Page(s) 633, ISSN 2296-2646
DOI: 10.3389/fchem.2020.00633

Insights into the photoprotection mechanism of the UV filter homosalate

Author(s): Emily L. Holt, Konstantina M. Krokidi, Matthew A. P. Turner, Piyush Mishra, Timothy S. Zwier, Natércia d. N. Rodrigues, Vasilios G. Stavros
Published in: Physical Chemistry Chemical Physics, Issue 22/27, 2020, Page(s) 15509-15519, ISSN 1463-9076
DOI: 10.1039/d0cp02610g

Simulation of Excitation by Sunlight in Mixed Quantum-Classical Dynamics

Author(s): Mario Barbatti
Published in: Journal of Chemical Theory and Computation, 2020, ISSN 1549-9618
DOI: 10.1021/acs.jctc.0c00501

Mechanistic Aspects of the Photophysics of UVA Filters Based on Meldrum Derivatives

Author(s): Josene M. Toldo, Mariana T. do Casal, Mario Barbatti
Published in: The Journal of Physical Chemistry A, Issue 125/25, 2021, Page(s) 5499-5508, ISSN 1089-5639
DOI: 10.1021/acs.jpca.1c03315

Computational and experimental characterization of novel ultraviolet filters

Author(s): Jack M. Woolley, Raúl Losantos, Diego Sampedro, Vasilios G. Stavros
Published in: Physical Chemistry Chemical Physics, Issue 22/43, 2020, Page(s) 25390-25395, ISSN 1463-9076
DOI: 10.1039/d0cp04940a

New Generation UV-A Filters: Understanding Their Photodynamics on a Human Skin Mimic

Author(s): Temitope T. Abiola, Natércia d. N. Rodrigues, Casey Ho, Daniel J. L. Coxon, Michael D. Horbury, Josene M. Toldo, Mariana T. do Casal, Benjamin Rioux, Cédric Peyrot, Matthieu M. Mention, Patrick Balaguer, Mario Barbatti, Florent Allais, Vasilios G. Stavros
Published in: The Journal of Physical Chemistry Letters, Issue 12/1, 2021, Page(s) 337-344, ISSN 1948-7185
DOI: 10.1021/acs.jpclett.0c03004

Sinapic Acid Esters: Octinoxate Substitutes Combining Suitable UV Protection and Antioxidant Activity

Author(s): Cédric Peyrot, Matthieu M. Mention, Fanny Brunissen, Florent Allais
Published in: Antioxidants, Issue 9/9, 2020, Page(s) 782, ISSN 2076-3921
DOI: 10.3390/antiox9090782

Towards Developing Novel and Sustainable Molecular Light-to-Heat Converters

Author(s): Temitope T. Abiola, Florent Allais, Vasilios Stavros, Mario Barbatti, Albert Braeuning, Wybren Jan Buma, Matthieu M Mention, Cedric Peyrot, Mariana T. do Casal, Daniel J. L. Coxon, Michael N R Ashfold, Jack Matthew Woolley, Matthew Turner, Jimmy Alarcan, Benjamin Rioux, Josene M. Toldo
Published in: Chemical Science, 2021, ISSN 2041-6520
DOI: 10.1039/d1sc05077j