Rezultaty
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
Assessing energy cost savingsTask 5.3: Assessing energy costs savings. Greenhouse heating helps plants grow faster and protects plants from chilling and frost damage. Costs can quickly escalate. A comparison between an electrically heated greenhouse and our photon-to-molecule heaters will be undertaken at both locations. [UB, UA-SILS]
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
Assessing FR exposed crop yield at high density and vegetational shadeTask 5.2: Enhancing crop performance at high density. Plants will be grown in dense canopies in the greenhouse and in custom built controlled environment cabinets simulating vegetational shade. Analysis of plant development, performance and fitness, together with molecular studies focussing on mechanism will be performed as in Task 5.1, now with application of DPPs/PhyCs and FR supplementation. [UB, UA-SILS]
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
Publikacje
Autorzy:
Jiayun Fan, Wim Roeterdink, Wybren Jan Buma
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Molecular Physics, Numer 119/1-2, 2021, Strona(/y) e1825850, ISSN 0026-8976
Wydawca:
Taylor & Francis
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10.1080/00268976.2020.1825850
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Opublikowane w:
Chemical Science, Numer 14, 2023, Strona(/y) 6763, ISSN 2041-6539
Wydawca:
Royal Society of Chemistry
DOI:
10.1039/d3sc01875j
Autorzy:
Abiola, Temitope T.; Rioux, Benjamin; Sharanjit Johal; Mention, Matthieu M.; Brunissen, Fanny; Woolley, Jack M.; Allais, Florent; Stavros, Vasilios G.
Opublikowane w:
J. Phys. Chem. A, Numer 126, 45, 2022, Strona(/y) 8388–8397, ISSN 1089-5639
Wydawca:
American Chemical Society
DOI:
10.1021/acs.jpca.2c05580
Autorzy:
Temitope T. Abiola; Nazia Auckloo; Jack M. Woolley; Christophe Corre; Stéphane Poigny; Vasilios G. Stavros
Opublikowane w:
Molecules; Volume 26; Numer 24; Pages: 7631, Numer 26(24), 2021, Strona(/y) 7631, ISSN 1420-3049
Wydawca:
Multidisciplinary Digital Publishing Institute (MDPI)
DOI:
10.3390/molecules26247631
Autorzy:
Elizete Ventura, Silmar Andrade do Monte, Mariana T. do Casal, Max Pinheiro, Jr, Josene Maria Toldo and Mario Barbatti
Opublikowane w:
Physical Chemistry Chemical Physics, Numer 24, 2022, Strona(/y) 15604-15604, ISSN 1463-9084
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RSC
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10.1039/d2cp00686c
Autorzy:
Konstantina M. Krokidi, Matthew A. P. Turner, Philip A. J. Pearcy, Vasilios G. Stavros
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Molecular Physics, Numer 119/1-2, 2021, Strona(/y) e1811910, ISSN 0026-8976
Wydawca:
Taylor & Francis
DOI:
10.1080/00268976.2020.1811910
Autorzy:
Matthias J. A. Vink, John J. Schermer, Jonathan Martens, Wybren Jan Buma, Giel Berden, and Jos Oomens
Opublikowane w:
ACS Agricultural Science & Technology, Numer 3 (2), 2023, Strona(/y) 171-180, ISSN 2692-1952
Wydawca:
American Chemical Society
DOI:
10.1021/acsagscitech.2c00279
Autorzy:
Cédric Peyrot, Matthieu M. Mention, Fanny Brunissen, Patrick Balaguer, Florent Allais
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Molecules, Numer 25/9, 2020, Strona(/y) 2178, ISSN 1420-3049
Wydawca:
Multidisciplinary Digital Publishing Institute (MDPI)
DOI:
10.3390/molecules25092178
Autorzy:
Mariana T. do Casal; Josene M. Toldo; Mario Barbatti; Felix Plasser
Opublikowane w:
Chemical Science, Numer 14, 2023, Strona(/y) 4012, ISSN 2041-6539
Wydawca:
Royal Society of Chemistry
DOI:
10.1039/d2sc06990c
Autorzy:
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
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Communications Chemistry, Numer 5, 2022, Strona(/y) 1-9, ISSN 2399-3669
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Nature
DOI:
10.1038/s42004-022-00757-6
Autorzy:
Matthias J. A. Vink; Jimmy Alarcan; Jonathan Martens; Wybren Jan Buma; Albert Braeuning; Giel Berden; Jos Oomens
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Chemical Research in Toxicology, Numer 37 (1), 2024, Strona(/y) 81-97, ISSN 0893-228X
Wydawca:
American Chemical Society
DOI:
10.1021/acs.chemrestox.3c00316
Autorzy:
Jiayun Fan, Wybren Jan Buma
Opublikowane w:
Journal of Physical Chemistry A, Numer 127, 2023, Strona(/y) 1649-1655, ISSN 1089-5639
Wydawca:
American Chemical Society
DOI:
10.1021/acs.jpca.3c00202
Autorzy:
Temitope T. Abiola; Abigail L. Whittock; Vasilios G. Stavros
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Molecules, Numer 25(17), 2020, Strona(/y) 3945, ISSN 1420-3049
Wydawca:
Multidisciplinary Digital Publishing Institute (MDPI)
DOI:
10.3390/molecules25173945
Autorzy:
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
Opublikowane w:
Physical Chemistry Chemical Physics, Numer 24, 2022, Strona(/y) 20138-20151, ISSN 1463-9076
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Royal Society of Chemistry
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10.1039/d2cp03238d
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Mariana T. do Casal, Josene M. Toldo, Max Pinheiro Jr, Mario Barbatti
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Open Research Europe, Numer 1, 2021, Strona(/y) 49, ISSN 2732-5121
Wydawca:
European Commission
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10.12688/openreseurope.13624.1
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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
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Photochemistry and Photobiology, Numer 00, 2023, Strona(/y) 1-16, ISSN 0031-8655
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Autorzy:
Jiayun Fan; Laura Finazzi; Wybren Jan Buma
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Physical Chemistry Chemical Physics, Numer 24, 2022, Strona(/y) 3984-3993, ISSN 1463-9076
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Royal Society of Chemistry
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10.1039/D1CP05958K
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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
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Environmental Science & Technology, Numer 56, 2022, Strona(/y) 15563-15572, ISSN 0013-936X
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Physical Chemistry Chemical Physics, Numer 25, 2023, Strona(/y) 12791, ISSN 1463-9076
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Green Chemistry, 2020, ISSN 1463-9262
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Chemical Science, 2021, ISSN 2041-6520
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Josene M. Toldo; Mariana T. do Casal; Elizete Ventura; Silmar A. do Monte; Mario Barbatti
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Wydawca:
Royal Society of Chemistry
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Autorzy:
Jiayun Fan; Wybren Jan Buma
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Photochemical and Photobiological Sciences, Numer 10, 2023, ISSN 1474-905X
Wydawca:
Royal Society of Chemistry
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10.1007/s43630-023-00481-7
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Mariana Telles do Casal; Mario Barbatti; Felix Plasser; Josene M. Toldo
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Physical Chemistry Chemical Physics, Numer 24, 2022, Strona(/y) 23279-23288, ISSN 1463-9076
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Royal Society of Chemistry
DOI:
10.1039/d2cp03533b
Autorzy:
Elizete Ventura; Silmar Andrade do Monte; Mariana T. do Casal; Max Pinheiro; Josene Maria Toldo; Mario Barbatti
Opublikowane w:
Physical Chemistry Chemical Physics, Numer 24, 2022, Strona(/y) 15604, ISSN 1463-9084
Wydawca:
Royal Society of Chemistry
DOI:
10.1039/d2cp90104h
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