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Elisa M Brás. Concluiu o(a) Mestrado em Mestrado em Química em 2017 pelo(a) Universidade de Coimbra Faculdade de Ciencias e Tecnologia e Licenciatura em Química em 2014 pelo(a) Universidade de Coimbra Centro de Química de Coimbra. Participa e/ou participou como Bolseiro de Doutoramento em 1 projeto(s).
Identification

Personal identification

Full name
Elisa Cristina Marçalo Brás

Citation names

  • Brás, Elisa M.

Author identifiers

Ciência ID
7418-39EA-1089
ORCID iD
0000-0003-1365-3628
Google Scholar ID
https://scholar.google.com/citations?user=2BJ-sAIAAAAJ&hl=pt-PT

Knowledge fields

  • Exact Sciences - Chemical Sciences

Languages

Language Speaking Reading Writing Listening Peer-review
Portuguese Proficiency (C2) Proficiency (C2) Proficiency (C2) Proficiency (C2)
English Advanced (C1) Advanced (C1) Advanced (C1) Advanced (C1)
German Intermediate (B1) Upper intermediate (B2) Intermediate (B1) Intermediate (B1)
Education
Degree Classification
2024/01/08
Concluded
 Química, Ramo de Espectroscopia Molecular (Doutoramento)
Universidade de Coimbra Faculdade de Ciencias e Tecnologia, Portugal
"Jet-cooled and Matrix-Isolated Radicals: Monitoring Reactions and Interactions through IR spectroscopy " (THESIS/DISSERTATION)
 Aprovado com Distinção e Louvor
2017
Concluded
 Mestrado em Química (Mestrado)
Major in Química Avançada e Industrial, variante de Química-Física
Universidade de Coimbra Faculdade de Ciencias e Tecnologia, Portugal
"On the Tautomerism of 2-Mercaptoimidazoles and 2-Mercaptobenzimidazoles: A Low Temperature Matrix Isolation and Solid State Study" (THESIS/DISSERTATION)
2014
Concluded
 Química (Licenciatura)
Universidade de Coimbra Faculdade de Ciencias e Tecnologia, Portugal
Affiliation

Science

Category
Host institution 		Employer
2023/10/16 - Current Researcher (Research) Fundação para a Ciência e a Tecnologia, Portugal
Universidade de Coimbra Centro de Física, Portugal
2018/12 - Current Researcher (Research) Fundação para a Ciência e a Tecnologia, Portugal
Universidade de Coimbra Centro de Química de Coimbra, Portugal
2023/12/04 - 2023/12/11 Visiting Researcher (Research) Fundação para a Ciência e a Tecnologia, Portugal
Deutsches Elektronen-Synchrotron, Germany
2020/08/01 - 2021/12/31 Visiting Researcher (Research) Fundação para a Ciência e a Tecnologia, Portugal
Georg-August-Universität Göttingen, Germany
2019/08 - 2019/08 Visiting Researcher (Research) Fundação para a Ciência e a Tecnologia, Portugal
Justus Liebig Universitat Giessen, Germany
Projects

Grant

Designation Funders
2023/10/16 - Current Microwave Fingerprinting Artificial Molecular Motors in Virtual Isolation - ERC-2021-STG (Starting Grant)
101040850
Research Fellow
Universidade de Coimbra Centro de Física, Portugal
Ongoing
2023/12/04 - 2023/12/11 Reviewing the structural dynamics of molecular motors in virtual isolation: a rotational strategy (Bilateral project)
Bilateral Project FCT (Portugal) / Germany (DAAD)
 Fundação para a Ciência e a Tecnologia

Deutscher Akademischer Austauschdienst
Concluded
2018/12/01 - 2023/01/31 Jet-cooled and Matrix-Isolated Radicals: Monitoring Reactions and Interactions through IR spectroscopy
SFRH/BD/136246/2018
PhD Student Fellow
Universidade de Coimbra Centro de Química de Coimbra, Portugal

Georg-August-Universität Göttingen, Germany
Fundação para a Ciência e a Tecnologia
Concluded
2019/08/01 - 2019/08/15 Exploring competitive heavy-atom tunneling reactions using experiment and theory
Bilateral Project FCT (Portugal) / Germany (DAAD)
 Fundação para a Ciência e a Tecnologia

Deutscher Akademischer Austauschdienst
Concluded
2018/01/01 - 2018/11/30 Reversing the pathophysiology of Perkinsosis in clams hatcheries through the use of analogues of Artemisinin
CCMAR/BI/0013/2017 within the Project PTDC/MAR-BIO/4132/2014
Master Student Fellow
Centro de Ciências do Mar, Portugal

Universidade do Algarve, Portugal
Fundação para a Ciência e a Tecnologia
Concluded

Other

Designation Funders
2023/03/29 - Current Quantum Mechanical Tunneling in Organic Chemistry: New Reactivity Paradigms and Avenues for Molecular Design
PTDC/QUI-QFI/1880/2020
 Fundação para a Ciência e a Tecnologia
Outputs

Publications

Book chapter
  1. Fausto, Rui; Nikitin, Timur; Brás, Elisa M.. "Light induced reactions in cryogenic matrices (2019–2020)". In Photochemistry, 53-108. Royal Society of Chemistry, 2021.
    10.1039/9781839165269-00053
  2. Fausto, Rui; Nikitin, Timur; Brás, Elisa M.. "Light induced reactions in cryogenic matrices (highlights 2017–2018)". In Photochemistry, 28-69. United Kingdom: Royal Society of Chemistry, 2019.
    Published
Conference poster
  1. Elisa M. Brás; Taija L. Fischer; Martin A. Suhm. "Interactions of TEMPO radical and water". Paper presented in International "Bunsen Discussion Meeting "Benchmark Experiments for Numerical Quantum Chemistry", 2022.
  2. Brás, Elisa M.; L.I.L. Cabral; Rui Fausto; Maria de Lurdes S. Cristiano. "Photochemistry of a Dispiro-1,2,4-Trioxolane". Paper presented in XXXIV European Congress on Molecular Spectroscopy, 2018.
  3. Brás, E. M.; Cabral, L. I. L.; Fausto, R.; Cristiano, M.L.S.. "UV-induced Photolysis of an Antimalarial Peroxide". Paper presented in 24th IUPAC International Conference on Physical Organic Chemistry (ICPOC24), 2018.
  4. Pedro Horta; Elisa M. Brás; Rui Fausto; Maria de Lurdes S. Cristiano. "Synthesis and Structure of a Novel O-linked Diazirine-Quinolone Conjugate". Paper presented in 24th IUPAC International Conference on Physical Organic Chemistry (ICPOC24), 2018.
  5. Brás, E. M.; Cabral, L.I.L.; Henriques, M.S.C.; Marques, C.; Frija, L.M.T.; Barreira, L.; Paixão, J.A.; Fausto, R.; Cristiano, M.L.C.. "The Structure and Properties of a Novel Sulphanyl-Bridged Thiadiazolyl- Saccharinate Ligand". Paper presented in 24th IUPAC International Conference on Physical Organic Chemistry (ICPOC24), 2018.
  6. Brás, Elisa M.; Pedro Horta; Marta S. C. Henriques; Fernanda Murtinheira ; Paul M. O’Neill; José A. Paixão; Rui Fausto; Maria de Lurdes S. Cristiano. "The Quinoline-Quinolone Tautomerism in Cyclisation Reactions of Aryl-Enamines". Paper presented in 2th National Organic Chemistry Meeting & 5th National Medicinal Chemistry Meeting, 2018.
  7. Brás, E. M.; Henriques, MS. C. ; Canotilho, J.; Eusébio, E. M.; Paixão, J. A.; Fausto. "A New Polymorph of an Imidazole-Disulfide with Conformationally Distinct Molecules.". Paper presented in 5th National chemistry students meeting, Coimbra, Portugal, 2017.
  8. Brás, E. M.; Fausto, R.. "On the Tautomerism of 2-mercaptobenzimidazole: A Photoinduced Reaction in Solid Argon". Paper presented in 28th International Conference on Photochemistry (ICP 2017), 2017.
  9. Brás, Elisa M.; Fausto, Rui. "Photochemical Behavior of 2-mercaptoimidazole: A Theoretical and Matrix Isolation Infrared Spectroscopy Study". Paper presented in 1st MOLIM Training School - Molecular Potentials and Dynamics: The Starting Journey, 2016.
  10. Brás, Elisa M.; Borba, Ana; Henriques, Marta S. ; Paixão, José .A.; Fausto, Rui. "Tautomerism in 2-Mercaptoimidazole: An Experimental X-ray Diffraction, FTIR and Theoretical Study". Paper presented in 4th Portuguese Young Chemists Meeting (4º PYCheM), 2014.
Journal article
  1. Brás, Elisa M.; Zimmermann, Charlotte; Fausto, Rui; Suhm, Martin A.. "Benchmarking the anisotropy of nitroxyl radical solvation with IR spectroscopy". Physical Chemistry Chemical Physics (2024): http://dx.doi.org/10.1039/d3cp05668f.
    10.1039/d3cp05668f
  2. Amado, Patrícia S. M.; Lopes, Susy; Brás, Elisa M.; Paixão, José A.; Takano, Ma-aya; Abe, Manabu; Fausto, Rui; Cristiano, Maria L. S.. "Molecular and Crystal Structure, Spectroscopy, and Photochemistry of a Dispiro Compound Bearing the Tetraoxane Pharmacophore". Chemistry – A European Journal 29 48 (2023): http://dx.doi.org/10.1002/chem.202301315.
    10.1002/chem.202301315
  3. Brás, Elisa M.; Fischer, Taija L.; Suhm, Martin A.. "The Hydrates of TEMPO: Water Vibrations Reveal Radical Microsolvation". Angewandte Chemie International Edition 60 35 (2021): 19013-19017. http://dx.doi.org/10.1002/anie.202104496.
    10.1002/anie.202104496
  4. Elisa M. Brás; Lília I. L. Cabral; Patrícia S. M. Amado; Manabu Abe; Rui Fausto; Maria L. S. Cristiano. "Photoinduced Reactivity in a Dispiro-1,2,4-trioxolane: Adamantane Ring Expansion and First Direct Observation of the Long-Lived Triplet Diradical Intermediates". The Journal of Physical Chemistry A 124 21 (2020): 4202-4210. https://doi.org/10.1021/acs.jpca.0c01974.
    10.1021/acs.jpca.0c01974
  5. Brás, Elisa M.; Fausto, Rui. "An insight into methimazole phototautomerism: Central role of the thiyl radical and effect of benzo substitution". Journal of Molecular Structure 1172 (2018): 42-54. http://dx.doi.org/10.1016/j.molstruc.2018.02.013.
    10.1016/j.molstruc.2018.02.013
  6. Elisa M. Brás; Marta S. C. Henriques; José A. Paixão; Rui Fausto. "High Z' Crystal Structure of a New Polymorph of a Thioimidazole Disulfide: Importance of Conformational Flexibility". Crystal Growth & Design 18 7 (2018): 4167-4173. https://doi.org/10.1021/acs.cgd.8b00673.
    10.1021/acs.cgd.8b00673
  7. Brás, E. M.; Fausto, R.. "Controlled light-driven switching in 2-thiobenzimidazole". Journal of Photochemistry and Photobiology A: Chemistry 357 (2018): 185-192. http://dx.doi.org/10.1016/j.jphotochem.2018.02.035.
    10.1016/j.jphotochem.2018.02.035
  8. Cabral, L.I.L.; Brás, E.M.; Henriques, M.S.C.; Marques, C.; Frija, L.M.T.; Barreira, L.; Paixão, J.A.; Fausto, R.; Cristiano, M.L.S.. "Synthesis, Structure, and Cytotoxicity of a New Sulphanyl-Bridged Thiadiazolyl-Saccharinate Conjugate: The Relevance of S···N Interaction". Chemistry - A European Journal 24 13 (2018): 3251-3262. https://doi.org/10.1002/chem.201705319.
    10.1002/chem.201705319
  9. Horta, P.; Henriques, M.S.C.; Brás, E.M.; Murtinheira, F.; Nogueira, F.; O'Neill, P.M.; Paixaõ, J.A.; Fausto, R.; Cristiano, M.L.S.. "On the ordeal of quinolone preparation via cyclisation of aryl-enamines; Synthesis and structure of ethyl 6-methyl-7-iodo-4-(3-iodo-4-methylphenoxy)-quinoline-3-carboxylate". Pure and Applied Chemistry 89 6 (2017): 765-780. https://doi.org/10.1515/pac-2016-1119.
    10.1515/pac-2016-1119
Thesis / Dissertation
  1. "On the Tautomerism of 2-Mercaptoimidazoles and 2-Mercaptobenzimidazoles: A Low Temperature Matrix Isolation and Solid State Study". Master, Universidade de Coimbra, 2017.
Activities

Oral presentation

Presentation title Event name
Host (Event location)
2024/01/23 Radicals at Very Low Temperatures: Monitoring Reactions and Interactions through IR Spectroscopy 15th National Organic Chemistry Meeting (15ENQO), and the 8th National Medicinal Chemistry Meeting (8ENQT)
University of Algarve (Faro, Portugal)
2022/07 Jet-cooled and Matrix-Isolated Radicals: Monitoring Interactions and Reactions through IR Spectroscopy CPLT2022 - Chemistry and Physics at Low Temperatures
Laboratory of Molecular Spectroscopy of the Eötvös Lórand University in Budapest ( Visegrad, Hungary)
2021/07 Jet-Cooled and Matrix-Isolated Radicals: Monitoring Interactions and Reactions through IR Spectroscopy
Universität Göttingen, Institut für Physikalische Chemie (Göttingen, Germany)

Event organisation

Event name
Type of event (Role) 		Institution / Organization
2023/04 - Current IYCN Science Café: IUPAC Top Ten Emerging Technologies (2023/04)
2023 - 2024 15th National Organic Chemistry Meeting (15ENQO), and the 8th National Medicinal Chemistry Meeting (8ENQT) (2023 - 2024)
Conference (Member of the Organising Committee)
2023/10 - 2023/10 1st IYCN IUPAC online Conference 2023 (2023/08)
Conference (Member of the Organising Committee)
2018/08 - 2018/08 XXXIV European Congress on Molecular Spectroscopy (EUCMOS) (2018/08)
Congress (Member of the Organising Committee)
2018/07 - 2018/07 24th IUPAC International Conference on Physical Organic Chemistry (2017/07)
Conference (Member of the Organising Committee)

Committee member

Activity description
Role 		Institution / Organization
2023/04 - Current Member of the Conference Presence Committee of the IYCN IUPAC
Member

Interview (tv / radio show)

Program Topic
2021/04 - Current Ep. 7: Elisa Brás - Espectroscopia vibracional a baixas temperaturas (Podcast Molecular - Nos Bastidores da Ciência )

Mentoring / Tutoring

Topic Student name
2019 - 2019 Laboratory Instructor - Activities of the Pre-University School of Chemistry, 2nd Edition of the Escola Molecular, in collaboration with the Department of Chemistry of the University of Coimbra Activities of the Pre-University School of Chemistry
Distinctions

Award

2018 PhD grant
Fundação para a Ciência e a Tecnologia, Portugal
2017 Award 3% Best Students (Master's degree)
Universidade de Coimbra, Portugal
2010 Caixa Geral de Depósitos Merit Awards (High School)