CORDIS fornisce collegamenti ai risultati finali pubblici e alle pubblicazioni dei progetti ORIZZONTE.
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Risultati finali
Preliminary results pertaining to crop growth under various conditions
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).
Toxicity studies 1Task 43 Selected compounds will be subjected first to in silico computational analysis for possible metabolic byproducts generated by plants or microorganisms Task 42 will provide information about photochemical byproducts All resulting molecules will be screened for possible human toxicity using appropriate QSAR models readacross software and experimental approaches Endpoints addressed will comprise ADME cytotoxicity genotoxicity carcinogenicity as well as allergenic and phototoxic potential Suspected toxins will then be selected for OECD guidelinecompliant in vitro analysis for genotoxicity Ames test micronucleus assay and phototoxicity 3T3 phototoxicity assay BfR
Assessing plants exposed to low temperature and high UV-BTask 5.1: A range of commercially-important plant traits (photosynthetic performance, leaf area, biomass, pigment content, flowering time and seed yield) will be assessed following SM application to lower temperature (16oC to 4oC) and medium to high dose UV-B treatments (3-10 µmol m-2 s-1), both in isolation and in combination. [UB] As these compounds may affect the plant’s heat and drought stress tolerance at warmer temperatures, this will be analysed too. [UA-SILS] The model species Arabidopsis thaliana and tobacco will be tested alongside selected horticultural crops and cereals such as barley (as a fast monocot) and pepper (which is particularly sensitive to abiotic stresses). [PRB] Molecular mechanisms underlying these responses will be investigated via analysis of key transcripts, proteins and lipid second messengers.
Spectroscopy (preliminary results)Preliminary results pertaining to the spectroscopy
Model for nonadiabatic relaxation of prototypical SMs/DPPs/PhyCs in the complex environment (water + cellulose)Task 33 The nonadiabatic relaxation models in Task 33 will determine how the photon energy is converted into ground state vibrational energy heat and how possible chemical functionalisations will aid retention of excess vibrational energy near the cellulose wall This part of the project will require constant interaction with WP2 and WP4 AMU
Theory and computation (preliminary results)Preliminary results pertaining to theory and computation
1D dynamical studies in the gas-phase, solution-phase and thin-filmsTask 22 1D dynamics studies will capture in real time the evolving dynamics and photoprotection mechanisms operating in these molecules on an ultrafast timescale Gasphase femtosecond laser spectroscopic studies will unravel the photon conversion dynamics of accessible excited states of isolated SMsDPPsPhyCs and oligomers UW Solutionphase studies using femtosecond transient electronic and transient vibrational absorption spectroscopy will investigate in detail how the solvent influences the evolution of the excited state and the quantum yield for heat generation UB UW Thinfilm TF studies on SMDPPPhyC solutions sprayed onto thin transparent membranes will mimic as close to realistic conditions as possible We will then repeat the protocol used for the solutionphase studies to investigate how the excited state dynamics are affected by incorporating the molecules on a thinfilm UB UW but also employ UV pumpTHz probe studies to elucidate how the solid interface perturbs both the excited and ground state dynamics UW
Frequency resolved measurementsTask 21 Frequency resolved laser spectroscopic studies on isolated and solvent clustered photon converters will be assessed against the different functionalities to establish spectroscopic properties structural and electronic responses and decay pathways to longlived electronic states UAHIMS Structural characterisation of photoproducts formed under gasphase ie isolated molecule conditions will be explored by IR ion spectroscopy methods thereby providing the necessary insights into the fundamental photochemistry of the compounds of interest RU
Synthesis and production of a range of SM, DPP and PhyC analogues, all in >100 mg quantitiesA range of synthetic procedures will be developed along with established routes to produce a library of natureinspired SM DPP analogues with functional moieties positioned at various locations along the rings see Fig 2C in addition to the synthesis of oligomeric SMs APT Likewise PhyCs synthesis bacterial expression or extraction will be utilised UASILS Particular attention will be paid to ensure that these molecules are watersoluble Results obtained from WPs24 will allow us to determine structureactivity relationships and identify the key structural features responsible for the activities eg absorptionfluorescence characteristics UW photodegradation products APT BfR UAHIMS enabling further design improvements to the most promising candidates Having identified the most active candidates which correspondingly adhere best to surfaces such as cellulose and polydimethylacrylamide PDMA we will seek to optimise their synthetic pathways to provide green and industryrelevant processes eg biocatalytic pathways
Model for internal vibrational relaxation (IVR) of candidate SMs/DPPs/PhyCs in the complex environmentTask 33 The nonadiabatic relaxation models in Task 33 will determine how the photon energy is converted into ground state vibrational energy heat and how possible chemical functionalisations will aid retention of excess vibrational energy near the cellulose wall This part of the project will require constant interaction with WP2 and WP4 AMU
Upscale production of SMs, DPPs and PhyCs (from WPs2-4) that show greatest promise.A range of synthetic procedures will be developed along with established routes to produce a library of natureinspired SM DPP analogues with functional moieties positioned at various locations along the rings see Fig 2C in addition to the synthesis of oligomeric SMs APT Likewise PhyCs synthesis bacterial expression or extraction will be utilised UASILS Particular attention will be paid to ensure that these molecules are watersoluble Results obtained from WPs24 will allow us to determine structureactivity relationships and identify the key structural features responsible for the activities eg absorptionfluorescence characteristics UW photodegradation products APT BfR UAHIMS enabling further design improvements to the most promising candidates Having identified the most active candidates which correspondingly adhere best to surfaces such as cellulose and polydimethylacrylamide PDMA we will seek to optimise their synthetic pathways to provide green and industryrelevant processes eg biocatalytic pathways
Model for nonadiabatic relaxation of prototypical SMs/DPPs/PhyCs in the gas-phaseTask 32 Working in parallel with WP2 we will develop models for the nonadiabatic relaxation of the photon energy absorbed by the SMsDPPsPhyCs in the gasphase and in complex environments These calculations will be carried out through a twopronged strategy involving i static techniques for determining conical intersections excited state critical points and reaction pathways connecting them and ii nonadiabatic dynamics simulations AMU
2D dynamical studies in the solution-phase and thin-filmsTask 23 2D dynamics studies for which the requested Dazzler ultrafast pulse shaper will be essential will provide insights into branched nonradiative relaxation dynamics Furthermore these experiments will interrogate the target moleculebath coupling which will depend on the phase that the target species is encapsulated in eg solutionthinfilms providing insights into the rate of heat dissipation UB
Toxicity studies 2Task 4.4: By-product toxicity on plant physiology will be assessed by measuring photosynthesis and stomatal conductance, fresh- and dry weights, and abiotic-stress tolerance. Influence of potential toxins on disease resistance will be monitored using model plant-pathogen systems of Arabidopsis infected with Pseudomonas syringae (bacterial) or Hyaloperonospora arabidopsidis (fungal). [UA-SILS]
Analysis (preliminary results)Preliminary results pertaining to thermal imaging photostability and toxicity
Fundamental spectroscopic signatures of SM/DPP/PhyC analogues delivered according to the needs of WP1 and WP2Task 31 Electronic structure calculations will focus on SMsDPPsPhyCs in the gasphase and in complex environments water solution cellulosefilm These calculations will run in tandem with the experimental program specifically WP1 and WP2 and will be used to calculate characterise and predict the electronic spectra of SMDPPPhyC analogues AMU RU UAHIMS
Thermal imagingTask 4.1: Thermal imaging will provide us with insight into the extent of light-to-heat conversion using the latest heat measurement technology to ascertain parameters such as temperature gradients across the plant leaf following illumination within controlled growth chamber containing UV-A/B. [UB]
Analytical chemistryTask 42 Analysis of byproductstoxins using a unique combination of massspectrometry and tunable IR laser spectroscopy to assess the extent to which solar illumination can trigger byproduct release that could be toxic not just to the plant but also to the end user RU UAHIMS The ability to record IR spectra with selectivity of MS for analytical purposes is currently unique in the world and provides new opportunities to identify compounds in complex mixtures
Preparation of data management plan
Pubblicazioni
Autori:
Jiayun Fan, Wim Roeterdink, Wybren Jan Buma
Pubblicato in:
Molecular Physics, Numero 119/1-2, 2021, Pagina/e e1825850, ISSN 0026-8976
Editore:
Taylor & Francis
DOI:
10.1080/00268976.2020.1825850
Autori:
Abigail L. Whittock; Xuefei Ding; Xavier E. Ramirez Barker; Nazia Auckloo; Rebecca A. Sellers; Jack M. Woolley; Krishnan Tamareselvy; Marine Vincendet; Christophe Corre; Emma Pickwell-MacPherson; Vasilios G. Stavros
Pubblicato in:
Chemical Science, Numero 14, 2023, Pagina/e 6763, ISSN 2041-6539
Editore:
Royal Society of Chemistry
DOI:
10.1039/d3sc01875j
Autori:
Abiola, Temitope T.; Rioux, Benjamin; Sharanjit Johal; Mention, Matthieu M.; Brunissen, Fanny; Woolley, Jack M.; Allais, Florent; Stavros, Vasilios G.
Pubblicato in:
J. Phys. Chem. A, Numero 126, 45, 2022, Pagina/e 8388–8397, ISSN 1089-5639
Editore:
American Chemical Society
DOI:
10.1021/acs.jpca.2c05580
Autori:
Temitope T. Abiola; Nazia Auckloo; Jack M. Woolley; Christophe Corre; Stéphane Poigny; Vasilios G. Stavros
Pubblicato in:
Molecules; Volume 26; Numero 24; Pages: 7631, Numero 26(24), 2021, Pagina/e 7631, ISSN 1420-3049
Editore:
Multidisciplinary Digital Publishing Institute (MDPI)
DOI:
10.3390/molecules26247631
Autori:
Elizete Ventura, Silmar Andrade do Monte, Mariana T. do Casal, Max Pinheiro, Jr, Josene Maria Toldo and Mario Barbatti
Pubblicato in:
Physical Chemistry Chemical Physics, Numero 24, 2022, Pagina/e 15604-15604, ISSN 1463-9084
Editore:
RSC
DOI:
10.1039/d2cp00686c
Autori:
Konstantina M. Krokidi, Matthew A. P. Turner, Philip A. J. Pearcy, Vasilios G. Stavros
Pubblicato in:
Molecular Physics, Numero 119/1-2, 2021, Pagina/e e1811910, ISSN 0026-8976
Editore:
Taylor & Francis
DOI:
10.1080/00268976.2020.1811910
Autori:
Matthias J. A. Vink, John J. Schermer, Jonathan Martens, Wybren Jan Buma, Giel Berden, and Jos Oomens
Pubblicato in:
ACS Agricultural Science & Technology, Numero 3 (2), 2023, Pagina/e 171-180, ISSN 2692-1952
Editore:
American Chemical Society
DOI:
10.1021/acsagscitech.2c00279
Autori:
Cédric Peyrot, Matthieu M. Mention, Fanny Brunissen, Patrick Balaguer, Florent Allais
Pubblicato in:
Molecules, Numero 25/9, 2020, Pagina/e 2178, ISSN 1420-3049
Editore:
Multidisciplinary Digital Publishing Institute (MDPI)
DOI:
10.3390/molecules25092178
Autori:
Mariana T. do Casal; Josene M. Toldo; Mario Barbatti; Felix Plasser
Pubblicato in:
Chemical Science, Numero 14, 2023, Pagina/e 4012, ISSN 2041-6539
Editore:
Royal Society of Chemistry
DOI:
10.1039/d2sc06990c
Autori:
Jack Dalton, Josene M. Toldo, Florent Allais, Mario Barbatti, Vasilios G. Stavros
Pubblicato in:
The Journal of Physical Chemistry Letters, Numero 14, 2023, Pagina/e 8771-8779, ISSN 1948-7185
Editore:
American Chemical Society
DOI:
10.1021/acs.jpclett.3c02134
Autori:
Temitope T. Abiola; Josene M. Toldo; Mariana T. do Casal; Amandine L. Flourat; Benjamin Rioux; Jack M. Woolley; Daniel Murdock; Florent Allais; Mario Barbatti; Vasilios G. Stavros
Pubblicato in:
Communications Chemistry, Numero 5, 2022, Pagina/e 1-9, ISSN 2399-3669
Editore:
Nature
DOI:
10.1038/s42004-022-00757-6
Autori:
Matthias J. A. Vink; Jimmy Alarcan; Jonathan Martens; Wybren Jan Buma; Albert Braeuning; Giel Berden; Jos Oomens
Pubblicato in:
Chemical Research in Toxicology, Numero 37 (1), 2024, Pagina/e 81-97, ISSN 0893-228X
Editore:
American Chemical Society
DOI:
10.1021/acs.chemrestox.3c00316
Autori:
Jiayun Fan, Wybren Jan Buma
Pubblicato in:
Journal of Physical Chemistry A, Numero 127, 2023, Pagina/e 1649-1655, ISSN 1089-5639
Editore:
American Chemical Society
DOI:
10.1021/acs.jpca.3c00202
Autori:
Temitope T. Abiola; Abigail L. Whittock; Vasilios G. Stavros
Pubblicato in:
Molecules, Numero 25(17), 2020, Pagina/e 3945, ISSN 1420-3049
Editore:
Multidisciplinary Digital Publishing Institute (MDPI)
DOI:
10.3390/molecules25173945
Autori:
Daniel W. Polak; Mariana T. do Casal; Josene M. Toldo; Xiantao Hu; Giordano Amoruso; Olivia Pomeranc; Martin Heeney; Mario Barbatti; Michael N. R. Ashfold; Thomas A. A. Oliver
Pubblicato in:
Physical Chemistry Chemical Physics, Numero 24, 2022, Pagina/e 20138-20151, ISSN 1463-9076
Editore:
Royal Society of Chemistry
DOI:
10.1039/d2cp03238d
Autori:
Mariana T. do Casal, Josene M. Toldo, Max Pinheiro Jr, Mario Barbatti
Pubblicato in:
Open Research Europe, Numero 1, 2021, Pagina/e 49, ISSN 2732-5121
Editore:
European Commission
DOI:
10.12688/openreseurope.13624.1
Autori:
Cowden, Adam M.; Losantos, Raúl; Whittock, Abigail L.; Peñín, Beatriz; Sampedro, Diego; Stavros, Vasilios G.; 0000-0003-2695-6345; 0000-0001-5207-654X; 0000-0003-4924-2628; 0000-0003-2772-6453; 0000-0002-6828-958X
Pubblicato in:
Photochemistry and Photobiology, Numero 00, 2023, Pagina/e 1-16, ISSN 0031-8655
Editore:
American Society for Photobiology
DOI:
10.1111/php.13823
Autori:
Jiayun Fan; Laura Finazzi; Wybren Jan Buma
Pubblicato in:
Physical Chemistry Chemical Physics, Numero 24, 2022, Pagina/e 3984-3993, ISSN 1463-9076
Editore:
Royal Society of Chemistry
DOI:
10.1039/D1CP05958K
Autori:
Matthias J.A. Vink, Fred A.M.G. van Geenen, Giel Berden, Timothy J. C. O’Riordan, Peter W.A. Howe, Jos Oomens, Simon J. Perry, and Jonathan Martens
Pubblicato in:
Environmental Science & Technology, Numero 56, 2022, Pagina/e 15563-15572, ISSN 0013-936X
Editore:
American Chemical Society
DOI:
10.1021/acs.est.2c03210
Autori:
Ana González Moreno; Jack M. Woolley; Eva Domínguez; Abel de Cózar; Antonio Heredia; Vasilios G. Stavros
Pubblicato in:
Physical Chemistry Chemical Physics, Numero 25, 2023, Pagina/e 12791, ISSN 1463-9076
Editore:
Royal Society of Chemistry
DOI:
10.1039/d3cp00630a
Autori:
Matthieu Mention, Amandine Lea Flourat, Cedric Peyrot, Florent Allais
Pubblicato in:
Green Chemistry, 2020, ISSN 1463-9262
Editore:
Royal Society of Chemistry
DOI:
10.1039/d0gc00122h
Autori:
Benjamin Rioux, Cédric Peyrot, Matthieu M. Mention, Fanny Brunissen, Florent Allais
Pubblicato in:
Antioxidants, Numero 9/4, 2020, Pagina/e 331, ISSN 2076-3921
Editore:
MDPI
DOI:
10.3390/antiox9040331
Autori:
Lewis A. Baker, Michael Staniforth, Amandine L. Flourat, Florent Allais, Vasilios G. Stavros
Pubblicato in:
ChemPhysChem, 2020, ISSN 1439-4235
Editore:
John Wiley & Sons Ltd.
DOI:
10.1002/cphc.202000429
Autori:
Shuming Bai, Ritam Mansour, Ljiljana Stojanović, Josene M. Toldo, Mario Barbatti
Pubblicato in:
Journal of Molecular Modeling, Numero 26/5, 2020, Pagina/e 107, ISSN 1610-2940
Editore:
Springer Verlag
DOI:
10.1007/s00894-020-04355-y
Autori:
Michael D. Horbury, Matthew A. P. Turner, Jack S. Peters, Matthieu Mention, Amandine L. Flourat, Nicholas D. M. Hine, Florent Allais, Vasilios G. Stavros
Pubblicato in:
Frontiers in Chemistry, Numero 8, 2020, Pagina/e 633, ISSN 2296-2646
Editore:
Frontiers
DOI:
10.3389/fchem.2020.00633
Autori:
Emily L. Holt, Konstantina M. Krokidi, Matthew A. P. Turner, Piyush Mishra, Timothy S. Zwier, Natércia d. N. Rodrigues, Vasilios G. Stavros
Pubblicato in:
Physical Chemistry Chemical Physics, Numero 22/27, 2020, Pagina/e 15509-15519, ISSN 1463-9076
Editore:
Royal Society of Chemistry
DOI:
10.1039/d0cp02610g
Autori:
Mario Barbatti
Pubblicato in:
Journal of Chemical Theory and Computation, 2020, ISSN 1549-9618
Editore:
American Chemical Society
DOI:
10.1021/acs.jctc.0c00501
Autori:
Benjamin Rioux, Jeanne Combes, Jack M. Woolley, Natércia d. N. Rodrigues, Matthieu M. Mention, Vasilios G. Stavros and Florent Allais
Pubblicato in:
Frontiers in Chemistry, Numero 10, 2022, Pagina/e 730, ISSN 2296-2646
Editore:
Frontiers Media S.A
DOI:
10.3389/fchem.2022.886367
Autori:
Natércia d. N. Rodrigues, Jack M. Woolley, Konstantina M. Krokidi, Maria A. Tesa-Serrate, Matthew A. P. Turner, Nicholas D. M. Hine, Vasilios G. Stavros
Pubblicato in:
Physical Chemistry Chemical Physics, Numero 23/40, 2021, Pagina/e 23242-23255, ISSN 1463-9076
Editore:
Royal Society of Chemistry
DOI:
10.1039/d1cp03759e
Autori:
Josene M. Toldo, Mariana T. do Casal, Mario Barbatti
Pubblicato in:
The Journal of Physical Chemistry A, Numero 125/25, 2021, Pagina/e 5499-5508, ISSN 1089-5639
Editore:
American Chemical Society
DOI:
10.1021/acs.jpca.1c03315
Autori:
Jack M. Woolley, Raúl Losantos, Diego Sampedro, Vasilios G. Stavros
Pubblicato in:
Physical Chemistry Chemical Physics, Numero 22/43, 2020, Pagina/e 25390-25395, ISSN 1463-9076
Editore:
Royal Society of Chemistry
DOI:
10.1039/d0cp04940a
Autori:
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
Pubblicato in:
The Journal of Physical Chemistry Letters, Numero 12/1, 2021, Pagina/e 337-344, ISSN 1948-7185
Editore:
American Chemical Society
DOI:
10.1021/acs.jpclett.0c03004
Autori:
Cédric Peyrot, Matthieu M. Mention, Fanny Brunissen, Florent Allais
Pubblicato in:
Antioxidants, Numero 9/9, 2020, Pagina/e 782, ISSN 2076-3921
Editore:
MDPI
DOI:
10.3390/antiox9090782
Autori:
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
Pubblicato in:
Chemical Science, 2021, ISSN 2041-6520
Editore:
Royal Society of Chemistry
DOI:
10.1039/d1sc05077j
Autori:
Josene M. Toldo; Mariana T. do Casal; Elizete Ventura; Silmar A. do Monte; Mario Barbatti
Pubblicato in:
https://hal.science/hal-04029466, Numero 25, 2023, Pagina/e 8293, ISSN 1463-9076
Editore:
Royal Society of Chemistry
DOI:
10.1039/d3cp00247k
Autori:
Jiayun Fan; Wybren Jan Buma
Pubblicato in:
Photochemical and Photobiological Sciences, Numero 10, 2023, ISSN 1474-905X
Editore:
Royal Society of Chemistry
DOI:
10.1007/s43630-023-00481-7
Autori:
Mariana Telles do Casal; Mario Barbatti; Felix Plasser; Josene M. Toldo
Pubblicato in:
Physical Chemistry Chemical Physics, Numero 24, 2022, Pagina/e 23279-23288, ISSN 1463-9076
Editore:
Royal Society of Chemistry
DOI:
10.1039/d2cp03533b
Autori:
Benjamin Rioux, Louis M. M. Mouterde, Jimmy Alarcan, Temitope T. Abiola, Matthias J. A. Vink, Jack M. Woolley, Aurélien A. M. Peru, Matthieu M. Mention, Fanny Brunissen, Giel Berden, Jos Oomens, Albert Braeuning, Vasilios G. Stavros, Florent Allais
Pubblicato in:
Chemical Science, Numero 14, 2024, Pagina/e 13962-13978, ISSN 2041-6520
Editore:
Royal Society of Chemistry
DOI:
10.1039/d3sc04836e
Autori:
Elizete Ventura; Silmar Andrade do Monte; Mariana T. do Casal; Max Pinheiro; Josene Maria Toldo; Mario Barbatti
Pubblicato in:
Physical Chemistry Chemical Physics, Numero 24, 2022, Pagina/e 15604, ISSN 1463-9084
Editore:
Royal Society of Chemistry
DOI:
10.1039/d2cp90104h
Diritti di proprietà intellettuale
Numero candidatura/pubblicazione:
20
20052125
Data:
2020-11-19
Candidato/i:
AGROPARISTECH INNOVATION
Numero candidatura/pubblicazione:
20
21050215
Data:
2021-02-05
Candidato/i:
AGROPARISTECH INNOVATION
Numero candidatura/pubblicazione:
19
813113
Data:
2019-10-25
Candidato/i:
AGROPARISTECH INNOVATION
Numero candidatura/pubblicazione:
20
21050215
Data:
2021-02-05
Candidato/i:
AGROPARISTECH INNOVATION
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