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Mariela Nolasco (MN, b. Barquisimeto, VE) is a computational spectroscopist. She received a Bachelor´s in Chemical Engineering in 1999, a first University degree in Chemistry in 2004 and a PhD degree (subfield of Physical Chemistry) from University of Aveiro (UA) in July 2007. After completing her doctorate she was awarded with a FCT grant to pursue her post-doctoral activities at CICECO/Physics Department/UA within a completely new area for at the Photonic Hybrids and Nanomaterials Group, under Professor Luis Dias Carlos supervision. Within this period, she has been also at the Univ Federal Pernambuco (UFP-Brazil) in the group Laboratório de Química Teórica e Computacional (LQTC), under Professor Ricardo Longo supervision. Currently she is a Research Assistant at Chemistry Department and CICECO/UA. Her research interests encompass the combined use of computational methods and spectroscopic techniques to bridge the gap between fundamental-to-applied and theoretical-to experimental research. It includes the combined use of discrete DFT/TD-DFT and periodic CASTEP calculations with Photoluminescence, FT-IR, Raman and Inelastic Neutron Scattering spectroscopies. MN is keenly interested in the application of computational spectroscopy to several different research areas, such as Photoluminescent Lanthanide Hybrid Materials, Luminescent Dendrimeric Materials, Cellulosic Nanostructured Materials, 2,5-Furandicarboxylic Acid (FDCA)-polymers, Deep Eutectic Solvents, as well as Hydrogen Bonds Dynamics. MN is the author of 53 articles in international peer reviewed multidisciplinary journals (20 as corresponding author, ), several oral and poster communications in national and international conferences (42) and 1 book chapter. The quality and impact of Mariela´s scientific work is demonstrated by an accumulated number of citations of > 1980 and h-index =24 (Scopus-Apr24 ). Additionally, she has acted as Invited Guest Editor for the special issue Computational Spectroscopy 2020 ¿ Molecules; Molecular Spectroscopy - Atomistic Simulations Crosstalk in the Study of Intermolecular Interactions 2021 ¿ Molecules and she is an active reviewer for international journals. She is Member of the Portuguese group Neutrons and Muons in Portugal ¿ NeMPo installing committee ¿ and her role in neutron science was recently highlighted by Neutronsources.org who considered her one Women in Neutron Science. Additionally, she was the winner of the ISIS Neutron and Muon Source Impact Award 2021 on Society Award for her work characterising polymer structure and dynamics. She is a competitive researcher that was/is the PI of 8 R&D projects (2 National FCT projects, 6 International short-term projects at neutron facilities, ISIS Neutron & Muon Source (Oxford, Uk) and Institut Laue-Langevin (Grenoble, France) and participated as member of the team in 8 R&D projects. She has already established her own research team and gained significant experience as scientific adviser by being responsible for the supervision of 3 research fellowships (2011/13, 2017/ 18/19), 10 BSc undergraduate research project (2012-13, 2019/20/21/22/23), 4 MSc Master thesis (2012/13, 2019/20, 2021/22/23), co-supervision and supervision of 2 PhD fellowships (2017-present) and supervision of 3 post-doctoral fellowship (2018/19, 2023/24), apart from 4 (2019-2020) undergraduate volunteer research projects. She was also involved as tutor in the Erasmus Mundus MSc Materials Science at CICECO (2015-2016). Apart from CICECO/UA members, MN collaborates with relevant scholars in the area of lanthanide luminescence, namely Professors Ricardo Longo and Oscar Malta from UFP - Brazil, as well as with Dr Svemir Rudic, Dr Stewart Parker and Dr Victoria Garcia Sakai from STFC Rutherford Appleton Lab ¿ ISIS Neutron & Muon Source- UK and Dr Pedro Vaz from Champalimaud Foundation. Additionally, the increasing interdisciplinary nature of her research enabled her to perform teaching functions in several disciplines.
Identification

Personal identification

Full name
Mariela Nolasco
Date of birth
1978/08/28
Gender
Female

Citation names

  • Nolasco, Mariela

Author identifiers

Ciência ID
E917-AA91-86A8
ORCID iD
0000-0002-4622-5307
Researcher Id
I-8119-2013

Email addresses

  • mnolasco@ua.pt (Professional)

Telephones

Telephone
  • 234 370 36 Ext.: 23552 (Professional)

Addresses

  • CICECO - Chemistry Department. University of Aveiro, Campus de Santiago, 3810-193, Aveiro, Aveiro, Portugal (Professional)

Websites

Knowledge fields

  • Engineering and Technology - Nano-technology - Nano-materials
  • Exact Sciences - Chemical Sciences - Physical Chemistry

Languages

Language Speaking Reading Writing Listening Peer-review
Spanish; Castilian (Mother tongue)
Portuguese (Mother tongue)
English Proficiency (C2) Proficiency (C2) Proficiency (C2) Proficiency (C2) Proficiency (C2)
French Elementary (A2) Elementary (A2) Elementary (A2) Elementary (A2) Elementary (A2)
Education
Degree Classification
2007
Concluded
PhD in Chemistry (Doutoramento)
Universidade de Aveiro, Portugal
"C-H…O hydrogen bonds in supramolecular systems " (THESIS/DISSERTATION)
Approved
2003
Concluded
Chemistry (Licenciatura)
Universidade de Aveiro, Portugal
15
1999
Concluded
Chemistry Engineering (Bacharelato)
Instituto Politécnico de Coimbra Instituto Superior de Engenharia de Coimbra, Portugal
12
Affiliation

Science

Category
Host institution
Employer
2022 - Current Auxiliary Researcher (Research) Universidade de Aveiro, Portugal
2017/01/01 - 2021/12/31 Contracted Researcher (Research) Universidade de Aveiro CICECO, Portugal

Others

Category
Host institution
Employer
2021 - 2022 Teaching activities in the Lab Q4 Laboratory lectures Universidade de Aveiro, Portugal
2020 - 2021 Teaching activities in the Elements of Physical Chemistry Theoretical lectures Universidade de Aveiro, Portugal
2020 - 2021 Teaching activities in the Lab Q1 Laboratory lectures Universidade de Aveiro, Portugal
2018 - 2020 Teaching activities in the Physical-Chemistry I Theoretical lectures Universidade de Aveiro, Portugal
2018 - 2020 Teaching activities in the Biological Physical-Chemistry Theoretical lectures Universidade de Aveiro, Portugal
2018 - 2019 Teaching activities in the Atomic and Molecular Structure Theoretical Lectures Universidade de Aveiro, Portugal
2016 - 2018 Teaching activities in the Elements of Physical Chemistry Laboratory lectures Universidade de Aveiro, Portugal
2016 - 2018 Teaching activities in the Biorganic Chemistry Laboratory lectures Universidade de Aveiro, Portugal
2009/04 - 2009/07 Post-doctoral fellow Universidade Federal de Pernambuco Centro de Ciências Exatas e da Natureza, Brazil
2007 - 2009 Teaching activities in the Elements of Physical Chemistry and General Chemistry lectures Universidade de Aveiro, Portugal
Projects

Grant

Designation Funders
2021/01 - 2025/12 CICECO – Instituto de Materiais de Aveiro
168135UID
Fundação para a Ciência e a Tecnologia
2007 - 2014 Modelling visible-emitting lanthanide complexes for OLED-RGB applications: a computational experimental approach
SFRH/BPD/32103/2006
Post-doc Fellow
Fundação para a Ciência e a Tecnologia
Concluded
2004 - 2007 C-H…O hydrogen bonds in supramolecular systems
SFRH/BD/18854/2004
PhD Student Fellow
Fundação para a Ciência e a Tecnologia
Concluded

Contract

Designation Funders
2019 - Current European network of FURan based chemicals and materials FOR a Sustainable development (FUR4Sustain)
Researcher
Universidade de Aveiro, Portugal
European Cooperation in Science and Technology
Ongoing
2023/01 - 2026/01 Metabolite-activated 3D stem cell differentiation into bone - BetterBone
Researcher
Universidade de Aveiro, Portugal
Ongoing
2024/03/03 - 2024/03/07 Kraft Lignin Solubility in Deep Eutectic Solvents
Principal investigator
STFC ISIS Neutron and Muon Source - UK, United Kingdom
Concluded
2022/05/11 - 2022/05/15 Real-Time Monitoring of Diffusion and Accessibility of Methylpyridines to Acid Sites Within ZSM-5 Zeolites
Universidade de Aveiro CICECO, Portugal
Diamond Light Source Ltd
Ongoing
2021/05/01 - 2021/05/03 Unravelling the interactions of hydrophobic deep eutectic solvents with water - Continuation
Universidade de Aveiro CICECO, Portugal
Institut Laue-Langevin
Ongoing
2021 - 2021 Inside bio-based furan polymers: Conformation and Dynamics in Crystalline and Amorphous Domains,
Principal investigator
STFC ISIS Neutron and Muon Source - UK, United Kingdom
ISIS, UK Research & Innovation
Concluded
2018 - 2021 Innovative, tunable and sustainable white-light emitting diodes. WINLEDs - White INnovative LEDs
POCI-01-0145-FEDER-030351
Researcher
Universidade de Aveiro CICECO, Portugal
Fundação para a Ciência e a Tecnologia
Ongoing
2017 - 2021 SusPhotoSolutions - Sustainable Photovoltaic Solutions
CENTRO-01-0145-FEDER-000005
Researcher
Universidade de Aveiro CICECO, Portugal
Fundação para a Ciência e a Tecnologia
Concluded
2017 - 2021 Toward energy-saving WOLED technologies: a rational design of luminescent dendrimers-lanthanide materials
IF/01468/2015
Principal investigator
Universidade de Aveiro CICECO, Portugal
Fundação para a Ciência e a Tecnologia
Ongoing
2020 - 2020 Hydrophobic DES and water: intermolecular interactions for tailored solvents
Principal investigator
STFC ISIS Neutron and Muon Source - UK, United Kingdom
ISIS, UK Research & Innovation
Ongoing
2020 - 2020 Unravelling the interactions of hydrophobic deep eutectic solvents with water
Researcher
Institut Laue–Langevin , France
Concluded
2020 - 2020 Unraveling the structure of Brønsted/Lewis acid sites using probe molecules and smart control of HZSM-5 zeolite
Researcher
Institut Laue–Langevin , France
Concluded
2019/01/01 - 2019/12/31 CICECO-Instituto de Materiais de Aveiro
UID/CTM/50011/2019
LA/P/0006/2020
Universidade de Aveiro, Portugal

Universidade de Aveiro CICECO, Portugal
Fundação para a Ciência e a Tecnologia
Concluded
2019/11/25 - 2019/11/27 Unraveling the structure of Brønsted/Lewis acid sites using probe molecules and smart control of HZSM-5 zeolite (extra)framework composition
Universidade de Aveiro CICECO, Portugal
Institut Laue-Langevin
Ongoing
2019 - 2019 API-DES: improving drug solubility with deep eutectic solvents
Researcher
STFC ISIS Neutron and Muon Source - UK, United Kingdom
ISIS, UK Research & Innovation
2018 - 2018 Exploring asymmetry-induced entropy in deep eutectic solvents
Principal investigator
STFC ISIS Neutron and Muon Source - UK, United Kingdom
ISIS, UK Research & Innovation
Concluded
2018 - 2018 Structural characterization of cellulose-based nanocomposites
Researcher
STFC ISIS Neutron and Muon Source - UK, United Kingdom
ISIS, UK Research & Innovation
Concluded
2016 - 2016 INS Study of Deep Eutectic Solvents
Principal investigator
STFC ISIS Neutron and Muon Source - UK, United Kingdom
ISIS, UK Research & Innovation
Concluded
2016 - 2016 INS study for the structural characterization of cellulosic nanostructured materials
Principal investigator
STFC ISIS Neutron and Muon Source - UK, United Kingdom
ISIS, UK Research & Innovation
Concluded
2016 - 2016 How an olefin adsorbs at a catalyst's surface and its implications to the chemical process
Post-doc
STFC ISIS Neutron and Muon Source - UK, United Kingdom
ISIS, UK Research & Innovation
Concluded
2011/02 - 2013/07 Modeling visible-emitting lanthanide complexes for OLED-RGB applications: a computational-experimental approach
Principal investigator
Fundação para a Ciência e a Tecnologia
2008/01 - 2010/12 Water Nanodrops in Microporous and Inorganic-Organic Hybrid Materials
Other
Fundação para a Ciência e a Tecnologia
Outputs

Publications

Book chapter
  1. Ribeiro-Claro, P.; Nolasco, M.M.; Araújo, C.. "Characterization of Microplastics by Raman Spectroscopy". 2017.
    10.1016/bs.coac.2016.10.001
Conference paper
  1. Paulo Ribeiro-Claro; Fabrício Carvalho; Vânia Carlos; Mariela Nolasco. "ACTIVE LEARNING STRATEGIES: ENHANCING STUDENT PARTICIPATION IN A THEORETICAL-PRACTICAL CHEMISTRY CLASSES AT UNIVERSITY OF AVEIRO". 2023.
    10.21125/iceri.2023.1767
Conference poster
  1. Ribeiro, AMP; Alves, SIT; Silva, AMS; Silva, VLM; Nolasco, M. "A theoretical-experimental study of the electronic and photophysical properties of Gd- complexes with different halogen-substituted DBM-Calfa ligands". Paper presented in XXVI Encontro Nacional da SPQ, Porto, 2019.
  2. Ribeiro, AMP; Silva, VLM; Nolasco, M. "Synthesis and structural characterization of Eu[TAP(Gn=0-3)]3 materials with increasing generations of poly(benzyl arylether) dendrons". Paper presented in XXIII Encontro Galego Portugués, Ferrol, 2017.
  3. Nolasco, M; Ribeiro, AMP; Silva, VLM. "On the electronic properties of Eu[TAP(Gn=0-3)]3 dendrimers: a theoretical study". Paper presented in XXIII Encontro Galego Portugués, Ferrol, 2017.
  4. Nolasco, Mariela; Nolasco, M; Araújo, CF; Ribeiro-Claro, P; Vaz, PD; Rudic, S. "Cellulosic nanostructured materials: an inelastic neutron scattering". Paper presented in XXV Encontro Nacional da SPQ, Lisboa, 2017.
  5. Nolasco, Mariela; Nolasco, M; Ribeiro-Claro, P; Vaz, PD. "Inelastic neutron scattering as a characterization tool of C-H…O hydrogen bond dynamics". Paper presented in Molecular Spectroscopy Science Meeting, Abingdon, 2015.
  6. Nolasco, Mariela; Nolasco, M. "Modelling lanthanide complexes: a theoretical-experimental approach". Paper presented in Research Day, Aveiro, 2014.
  7. Nolasco, Mariela; Lopes, RS; Vaz, PM; Carlos, LD; Ribeiro-Claro, P. "Luminescent gamma-Cyclodextrin Inclusion Compounds with Eu(III) nitrates complexes". Paper presented in XI Encontro Naccional de Química-Física, Porto, 2013.
  8. Nolasco, Mariela; Vaz, PM; Nolasco, M. "From coordination geometries to excited-state properties of new a-substituted b-diketonate europium (III) complex: a combined experimental and theoretical approach". Paper presented in Central European Conference on Photochemistry, Bad Hofganstein, Austria, 2012.
  9. Nolasco, Mariela; Nolasco, M; Vaz, PM; Carlos, LD. "The role of 4,7-disubstituted phenantroline ligands in luminescence of europium(III) complexes: a TD-DFT sudy". Paper presented in Time-Dependent Density-Functional Theory, University of New England, Biddeford-Maine, 2011.
  10. Nolasco, Mariela; Nolasco, M; Vaz, PM; Carlos, LD. "From coordination geometries to excited-state properties of new b-diketonate 5,6-epoxy-1,10-phenantroline europium (III) complex : a combined experimental and theoretical approach". Paper presented in XXII Encontro Nacional da SPQ, Braga, Portugal, 2011.
  11. Nolasco, Mariela; Nolasco, M; Bruno, SM; Paz, FAA; Gonçalves, IS; Ribeiro-Claro, P; Carlos, LD. "Effects of substituents on the electronic properties of pyrazolylpyridine ligands". Paper presented in 10º Encontro Nacional de Fotoquímica, University of Porto, 2010.
  12. Nolasco, Mariela; Nolasco, M; Lima, P; Paz, FAA; Ferreira, RS; Carlos, LD. "TD-DFT studies on excited state properties of a new Eu3+ ß-diketonate complex: a trans-to-cis ligand photoisomerization case". Paper presented in Central European Conference on Photochemistry, Congress Centre of Bad Hofganstein, Bad Hofganstein, Austria, 2010.
  13. Nolasco, Mariela; Nolasco, M; Ribeiro-Claro, P. "From the molecules to the crystal: the PiMM approach applied to luminol". Paper presented in VI Jornadas do CICECO, University of Aveiro, Portugal, 2009.
  14. Nolasco, Mariela; Nolasco, M; Amado, AM; Ribeiro-Claro, P. "Phase stability of anhydrous-hydrate systems in different ambient conditions". Paper presented in 1PYCheM, IST, Lisbon, Portugal, 2008.
  15. Nolasco, Mariela; Nolasco, M; Amado, AM; Carlos, LD; Ribeiro-Claro, P. "Probing pseudo-polymorphic transitions in pharmaceutical solids using Raman spectroscopy". Paper presented in 4th International Conference on Diffusion in Solids and Liquids, Barcelone, 2008.
  16. Nolasco, Mariela; Nolasco, M; Amado, AM; Carlos, LD; Ribeiro-Claro, P. "Raman spectroscopic study of pseudo-polymorphic transitions spectroscopy". Paper presented in 4th International Conference on Diffusion in Solids and Liquids, Barcelone, 2008.
  17. Nolasco, Mariela; Nolasco, M; Amado, AM; Ribeiro-Claro, P. "Trans-cinnamic acid derivatives included in cyclodextrins: a Raman spectroscopic study". Paper presented in XXI Encontro Nacional da SPQ, Porto, 2008.
  18. Sardo, Mariana; Nolasco, Mariela; Amado, Ana M.; Ribeiro-Claro, P.J.A.. "Spectroscopic characterization of nitrofurantoin polymorphs using the PiMM approach". Paper presented in V Jornadas CICECO, Aveiro, 2008.
  19. Nolasco, Mariela; Sardo, M; Nolasco, M; Amado, AM; Ribeiro-Claro, P. "PiMM: Pairs in Molecular Materials". Paper presented in 8º Encontro Nacional da Química-Física, Luso, 2007.
  20. Nolasco, Mariela; Sardo, M; Nolasco, M; Amado, AM; Ribeiro-Claro, P. "Spectroscopic characterization of nitrofurantion polymorphs using the PiMM approach". Paper presented in V Jornadas CICECO, University of Aveiro, 2007.
  21. Nolasco, Mariela; Amado, AM; Nolasco, M; Sardo, M; Ribeiro-Claro, P. "Polymorphic and pseudopolymorphic transformations in pharmaceutical drugs: a Raman spectroscopy study". Paper presented in XX Encontro Nacional da SPQ, Lisbon, 2006.
  22. Nolasco, Mariela; Ribeiro-Claro, P; Amado, AM; Sardo, M; Nolasco, M. "Pairs in Molecular Materials". Paper presented in XX Encontro Nacional da SPQ, Lisbon, 2006.
  23. Nolasco, Mariela; Nolasco, M; Amado, AM; Ribeiro-Claro, P. "Raman spectrocopic study of the hydration and dehydration processes of caffeine". Paper presented in Medicinal Chemistry in the 21st century, Lisbon, 2006.
  24. Nolasco, Mariela; Amado, AM; Nolasco, M; Ribeiro-Claro, P. "Vibrational study of the hydration and dehydration processes of antibacterial Nitrofurantoin drug". Paper presented in Medicinal Chemistry in the 21st century, Lisbon, 2006.
  25. Nolasco, Mariela; Nolasco, M; Vaz, PD; Ribeiro-Claro, P. "Probing molecular association with vibrational spectroscopy: Raman and Inelastic Neutron Scattering (INS)". Paper presented in 1st European Chemistry Congress, Budapest, 2006.
  26. Amado, Ana M.; Nolasco, Mariela; Sardo, Mariana; Ribeiro-Claro, P.J.A.. "Polymorphic and pseudopolymorphic transformations in pharmaceutical drugs: a Raman spectroscopic study". Paper presented in XX Encontro Nacional da Sociedade Portuguesa de Química, Lisboa, 2006.
  27. Nolasco, Mariela; Nolasco, M; Amado, AM; Ribeiro-Claro, P. "Raman spectroscopic study of the hydration process of methyl-xanthines". Paper presented in Surface Enhanced Raman Spectroscopy, London, 2005.
  28. Nolasco, Mariela; Nolasco, M; Amado, AM; Ribeiro-Claro, P. "Vibrational spectroscopic study of the intermolecular H-bonding and polymorphism in methyl-xanthines". Paper presented in 8º Encontro Nacional da Química-Física, Porto, 2005.
  29. Nolasco, Mariela; Nolasco, M; Vaz, PD; Ribeiro-Claro, P. "Probing molecular association with vibrational spectroscopy: Raman scattering and inelastic neutron scattering". Paper presented in II Jornadas CICECO, Aveiro, 2005.
  30. Nolasco, Mariela; Nolasco, M; Amado, AM; Ribeiro-Claro, P. "Phenolic derivatives of cinnamic acid included in cyclodextrins: a combined theoretical and spectroscopic study". Paper presented in Congreso Ibérico de Espectroscopia, Las Palmas de Gran Canária, 2004.
Journal article
  1. Catarina F. Araújo; Paulo Ribeiro-Claro; Pedro D. Vaz; Svemir Rudic; Rafael A. F. Serrano; Liliana P. Silva; J. A. P. Coutinho; Mariela M. Nolasco. "Exploring asymmetry induced entropy in tetraalkylammonium–urea DES systems: what can be learned from inelastic neutron scattering?". Physical Chemistry Chemical Physics (2024): https://doi.org/10.1039/D3CP04961B.
    10.1039/D3CP04961B
  2. Mariela M. Nolasco; Stewart F. Parker; Pedro D. Vaz; Paulo J. A. Ribeiro-Claro. "Intermolecular Interactions in 3-Aminopropyltrimethoxysilane, N-Methyl-3-aminopropyltrimethoxysilane and 3-Aminopropyltriethoxysilane: Insights from Computational Spectroscopy". International Journal of Molecular Sciences (2023): https://doi.org/10.3390/ijms242316634.
    10.3390/ijms242316634
  3. Mariana M. Coimbra; Inês Martins; Sofia M. Bruno; Pedro D. Vaz; Paulo J. A. Ribeiro-Claro; Svemir Rudic; Mariela M. Nolasco. "Shedding Light on Cuprorivaite, the Egyptian Blue Pigment: Joining Neutrons and Photons for a Computational Spectroscopy Study". Crystal Growth & Design (2023): https://doi.org/10.1021/acs.cgd.3c00211.
    10.1021/acs.cgd.3c00211
  4. Inês J. Marques; Pedro D. Vaz; Ana V. Girão; Mariela M. Nolasco; Carla D. Nunes. "Biocompatible fluorescent europium(iii) magnetic nanoparticles". New Journal of Chemistry (2023): https://doi.org/10.1039/D3NJ04897G.
    10.1039/D3NJ04897G
  5. Mariela M. Nolasco; Mariana Matos Coimbra; Stewart F. Parker; Pedro D. Vaz; Paulo J. A. Ribeiro-Claro. "Structural Dynamics of Chloromethanes through Computational Spectroscopy: Combining INS and DFT". Molecules (2022): https://doi.org/10.3390/molecules27217661.
    10.3390/molecules27217661
  6. Nolasco, Mariela M.; Pedro, Sónia N.; Vilela, Carla; Vaz, Pedro D.; Ribeiro-Claro, Paulo; Rudic, Svemir; Parker, Stewart F.; et al. "Water in Deep Eutectic Solvents: New Insights From Inelastic Neutron Scattering Spectroscopy". Frontiers in Physics 10 (2022): 834571. http://dx.doi.org/10.3389/fphy.2022.834571.
    10.3389/fphy.2022.834571
  7. Mariela M. Nolasco; Paulo J. A. Ribeiro-Claro; Pedro D. Vaz. "Vibrational Dynamics in crystalline 4-(dimethylamino) benzaldehyde: Inelastic Neutron Scattering and Periodic DFT Study". Materials (2022): https://doi.org/10.3390/ma15020475.
    10.3390/ma15020475
  8. Mário R. Felício; Pedro D. Vaz; Carla D. Nunes; Mariela M. Nolasco. "Novel versatile europium and terbium complexes as bioprobes and anticancer agents". New Journal of Chemistry (2022): https://doi.org/10.1039/D2NJ03011J.
    10.1039/D2NJ03011J
  9. Paulo J. A. Ribeiro-Claro; Pedro D. Vaz; Mariela M. Nolasco; Francisco P. S. C. Gil; Luís A. E. Batista de Carvalho; Maria Paula M. Marques; Ana M. Amado. "New Insights on the Vibrational Dynamics of 2-Methoxy-, 4-Methoxy- and 4-Ethoxy-Benzaldehyde from INS Spectra and Periodic DFT Calculations". Materials 14 16 (2021): 4561-4561. https://doi.org/10.3390/ma14164561.
    10.3390/ma14164561
  10. Sandra F. H. Correia; Ricardo L. Fernandes; Lianshe Fu; Mariela M. Nolasco; Luís D. Carlos; Rute A. S. Ferreira. "High Emission Quantum Yield Tb 3+ -Activated Organic-Inorganic Hybrids for UV-Down-Shifting Green Light-Emitting Diodes". European Journal of Inorganic Chemistry 2020 18 (2020): 1736-1742. https://doi.org/10.1002/ejic.202000054.
    10.1002/ejic.202000054
  11. Carla Vilela; Carmen S. R. Freire; Catarina Araújo; Svemir Rudic; Armando J. D. Silvestre; Pedro D. Vaz; Paulo J. A. Ribeiro-Claro; Mariela M. Nolasco. "Understanding the Structure and Dynamics of Nanocellulose-Based Composites with Neutral and Ionic Poly(methacrylate) Derivatives Using Inelastic Neutron Scattering and DFT Calculations". Molecules 25 7 (2020): 1689-1689. https://doi.org/10.3390/molecules25071689.
    10.3390/molecules25071689
  12. Mariela M. Nolasco; Catarina F. Araujo; Pedro D. Vaz; Ana M. Amado; Paulo Ribeiro-Claro. "Vibrational Dynamics of Crystalline 4-Phenylbenzaldehyde from INS Spectra and Periodic DFT Calculations". Molecules 25 6 (2020): 1374-1374. https://doi.org/10.3390/molecules25061374.
    10.3390/molecules25061374
  13. Nolasco, Mariela. "Efficient visible-light excitable Eu3+-complexes for red organic light-emitting diodes". European Journal of Inorganic Chemistry (2020): http://dx.doi.org/10.1002/ejic.202000027.
    10.1002/ejic.202000027
  14. Mariela M. Nolasco; Catarina F. Araujo; Shanmugam Thiyagarajan; Svemir Rudic; Pedro D. Vaz; Armando J. D. Silvestre; Paulo J. A. Ribeiro-Claro; Andreia F. Sousa. "Asymmetric Monomer, Amorphous Polymer? Structure–Property Relationships in 2,4-FDCA and 2,4-PEF". Macromolecules (2020): https://doi.org/10.1021/acs.macromol.9b02449.
    10.1021/acs.macromol.9b02449
  15. Nolasco, Mariela. "Poly(4-styrene sulfonic acid)/bacterial cellulose membranes: Electrochemical performance in a single-chamber microbial fuel cell". Bioresource Technology Reports (2020): http://dx.doi.org/10.1016/j.biteb.2019.100376.
    10.1016/j.biteb.2019.100376
  16. Mariela Nolasco. "Európio nas notas de Euro?". Revista de Ciência Elementar (2019): https://doi.org/10.24927/rce2019.003.
    10.24927/rce2019.003
  17. Ribeiro-Claro, P.J.A.; Vaz, P.D.; Nolasco, M.M.; Araujo, C.F.; Gil, F.P.S.C.; Amado, A.M.. "Vibrational dynamics of 4-fluorobenzaldehyde from periodic DFT calculations". Chemical Physics Letters: X (2019): http://www.scopus.com/inward/record.url?eid=2-s2.0-85060672215&partnerID=MN8TOARS.
    10.1016/j.cpletx.2019.100006
  18. Liliana P. Silva; Catarina F. Araújo; Dinis O. Abranches; Manuel Melle-Franco; Mónia A. R. Martins; Mariela M. Nolasco; Paulo J. A. Ribeiro-Claro; Simão P. Pinho; João A. P. Coutinho. "What a difference a methyl group makes – probing choline–urea molecular interactions through urea structure modification". Physical Chemistry Chemical Physics (2019): https://doi.org/10.1039/C9CP03552D.
    10.1039/C9CP03552D
  19. Barbosa, J.S.; Nolasco, M.M.; Ribeiro-Claro, P.; Almeida Paz, F.A.; Braga, S.S.. "Preformulation Studies of the ¿-Cyclodextrin and Montelukast Inclusion Compound Prepared by Comilling". Journal of Pharmaceutical Sciences 108 5 (2019): 1837-1847. http://www.scopus.com/inward/record.url?eid=2-s2.0-85059699971&partnerID=MN8TOARS.
    10.1016/j.xphs.2018.11.047
  20. Catarina F. Araujo; Mariela M. Nolasco; Paulo J. A. Ribeiro-Claro; Svemir Rudic; Armando J. D. Silvestre; Pedro D. Vaz; Andreia F. Sousa. "Inside PEF: Chain Conformation and Dynamics in Crystalline and Amorphous Domains". Macromolecules (2018): https://doi.org/10.1021/acs.macromol.8b00192.
    10.1021/acs.macromol.8b00192
  21. C. Araujo; C. S. R. Freire; M. M. Nolasco; P. J. A. Ribeiro-Claro; S. Rudic; A. J. D. Silvestre; P. D. Vaz. "Hydrogen Bond Dynamics of Cellulose through Inelastic Neutron Scattering Spectroscopy". Biomacromolecules (2018): https://doi.org/10.1021/acs.biomac.8b00110.
    10.1021/acs.biomac.8b00110
  22. Ribeiro-Claro, P.J.A.; Vaz, P.D.; Nolasco, M.M.; Amado, A.M.. "Understanding the vibrational spectra of crystalline isoniazid: Raman, IR and INS spectroscopy and solid-state DFT study". Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy 204 (2018): 452-459. http://www.scopus.com/inward/record.url?eid=2-s2.0-85049313308&partnerID=MN8TOARS.
    10.1016/j.saa.2018.06.073
  23. Araujo, C.F.; Nolasco, M.M.; Ribeiro, A.M.P.; Ribeiro-Claro, P.J.A.. "Identification of microplastics using Raman spectroscopy: Latest developments and future prospects". Water Research 142 (2018): 426-440. http://www.scopus.com/inward/record.url?eid=2-s2.0-85049329519&partnerID=MN8TOARS.
    10.1016/j.watres.2018.05.060
  24. Ananias, D.; Firmino, A.D.G.; Mendes, R.F.; Paz, F.A.A.; Nolasco, M.; Carlos, L.D.; Rocha, J.. "Excimer Formation in a Terbium Metal-Organic Framework Assists Luminescence Thermometry". Chemistry of Materials 29 21 (2017): 9547-9554. http://www.scopus.com/inward/record.url?eid=2-s2.0-85034101259&partnerID=MN8TOARS.
    10.1021/acs.chemmater.7b03817
  25. C. F. Araujo; J. A. P. Coutinho; M. M. Nolasco; S. F. Parker; P. J. A. Ribeiro-Claro; S. Rudic; B. I. G. Soares; et al. "Inelastic neutron scattering study of reline: shedding light on the hydrogen bonding network of deep eutectic solvents". Physical Chemistry Chemical Physics 19 27 (2017): 17998-18009. https://doi.org/10.1039/C7CP01286A.
    10.1039/C7CP01286A
  26. Lahoud, M.G.; Frem, R.C.G.; Gálico, D.A.; Bannach, G.; Nolasco, M.M.; Ferreira, R.A.S.; Carlos, L.D.. "Intriguing light-emission features of ketoprofen-based Eu(III) adduct due to a strong electron-phonon coupling". Journal of Luminescence 170 (2016): 357-363. http://www.scopus.com/inward/record.url?eid=2-s2.0-84954392128&partnerID=MN8TOARS.
    10.1016/j.jlumin.2015.08.050
  27. Nolasco, M.M.; Mendes, R.F.; Lima, P.P.; Almeida Paz, F.A.; Carlos, L.D.; Rocha, J.. "Modelling the luminescence of phosphonate lanthanide-organic frameworks". European Journal of Inorganic Chemistry 2015 7 (2015): 1254-1260. http://www.scopus.com/inward/record.url?eid=2-s2.0-84923879340&partnerID=MN8TOARS.
    10.1002/ejic.201402492
  28. Yang, T.-H.; Fu, L.; Ferreira, R.A.S.; Nolasco, M.M.; Rocha, J.; Carlos, L.D.; Shi, F.-N.. "Influence of the Crystal Structure on the Luminescence Properties of Mixed Eu,La-(1,10-Phenanthroline) Complexes". European Journal of Inorganic Chemistry 2015 29 (2015): 4861-4868. http://www.scopus.com/inward/record.url?eid=2-s2.0-84945474177&partnerID=MN8TOARS.
    10.1002/ejic.201500611
  29. Turchetti, D.A.; Nolasco, M.M.; Szczerbowski, D.; Carlos, L.D.; Akcelrud, L.C.. "Light emission of a polyfluorene derivative containing complexed europium ions". Physical Chemistry Chemical Physics 17 39 (2015): 26238-26248. http://www.scopus.com/inward/record.url?eid=2-s2.0-84942815406&partnerID=MN8TOARS.
    10.1039/c5cp03567h
  30. Amarante, Tatiana R.; Neves, Patricia; Gomes, Ana C.; Nolasco, Mariela M.; Ribeiro-Claro, Paulo; Coelho, Ana C.; Valente, Anabela A.; et al. "Synthesis, Structural Elucidation, and Catalytic Properties in Olefin Epoxidation of the Polymeric Hybrid Material Mo3O9(2- 3(5)-Pyrazolyl pyridine) (n)". Inorganic Chemistry 53 5 (2014): 2652-2665.
    10.1021/ic403033j
  31. Vilela, S.M.F.; Ananias, D.; Silva, P.; Nolasco, M.; Carlos, L.D.; De Zea Bermudez, V.; Rocha, J.; Tomé, J.P.C.; Almeida Paz, F.A.. "Coordination polymers based on a glycine-derivative ligand". CrystEngComm 16 35 (2014): 8119-8137. http://www.scopus.com/inward/record.url?eid=2-s2.0-84906091392&partnerID=MN8TOARS.
    10.1039/c4ce00465e
  32. Felício, M.R.; Nunes, T.G.; Vaz, P.M.; Botas, A.M.P.; Ribeiro-Claro, P.; Ferreira, R.A.S.; Freire, R.O.; et al. "Modelling the luminescence of extended solids: An example of a highly luminescent MCM-41 impregnated with a Eu3+ ß-diketonate complex". Journal of Materials Chemistry C 2 45 (2014): 9701-9711. http://www.scopus.com/inward/record.url?eid=2-s2.0-84908409948&partnerID=MN8TOARS.
    10.1039/c4tc01072h
  33. Nolasco, M.M.; Vaz, P.M.; Vaz, P.D.; Ferreira, R.A.S.; Lima, P.P.; Carlos, L.D.. "A green-emitting a-substituted ß-diketonate Tb3+ phosphor for ultraviolet LED-based solid-state lighting". Journal of Coordination Chemistry 67 (2014): 4076-4089. http://www.scopus.com/inward/record.url?eid=2-s2.0-84912012297&partnerID=MN8TOARS.
    10.1080/00958972.2014.969722
  34. Lima, Patricia P.; Nolasco, Mariela M.; Paz, Filipe A. A.; Ferreira, Rute A. S.; Longo, Ricardo L.; Malta, Oscar L.; Carlos, Luis D.. "Photo-Click Chemistry to Design Highly Efficient Lanthanide beta-Diketonate Complexes Stable under UV Irradiation". Chemistry of Materials 25 4 (2013): 586-598.
    10.1021/cm303776x
  35. Mendes, N. F. C.; Nolasco, Mariela M.; Ribeiro-Claro, Paulo J. A.. "Effects of hydrogen-bond and cooperativity in the vibrational spectra of Luminol". Vibrational Spectroscopy 64 (2013): 119-125.
    10.1016/j.vibspec.2012.11.008
  36. Nolasco, Mariela M.; Vaz, Patricia M.; Freitas, Vania T.; Lima, Patricia P.; Andre, Paulo S.; Ferreira, Rute A. S.; Vaz, Pedro D.; Ribeiro-Claro, Paulo; Carlos, Luis D.. "Engineering highly efficient Eu(III)-based tri-ureasil hybrids toward luminescent solar concentrators". Journal of Materials Chemistry a 1 25 (2013): 7339-7350.
    10.1039/c3ta11463e
  37. Vaz, Pedro D.; Nolasco, Mariela M.; Ribeiro-Claro, Paulo J. A.. "Intermolecular C-H center dot center dot center dot O interactions in cyclopentanone: An inelastic neutron scattering study". Chemical Physics 427 (2013): 117-123.
    10.1016/j.chemphys.2013.08.004
  38. Ferreira, Rute A. S.; Nolasco, Mariela; Roma, Ana C.; Longo, Ricardo L.; Malta, Oscar L.; Carlos, Luis D.. "Dependence of the Lifetime upon the Excitation Energy and Intramolecular Energy Transfer Rates: The 5D0 EuIII Emission Case". Chemistry-a European Journal 18 38 (2012): 12130-12139.
    10.1002/chem.201201736
  39. Nolasco, Mariela M.; Vaz, Patricia M.; Vaz, Pedro D.; Ribeiro-Claro, Paulo J. A.. "Exploring C-H center dot center dot center dot O hydrogen bonds in dihydrocoumarin from combined vibrational spectroscopy and DFT calculations". Chemical Physics Letters 551 (2012): 86-91.
    10.1016/j.cplett.2012.09.032
  40. Coelho, Ana C.; Nolasco, Mariela; Balula, Salete S.; Antunes, Margarida M.; Pereira, Claudia C. L.; Almeida Paz, Filipe A.; Valente, Anabela A.; et al. "Chemistry and Catalytic Activity of Molybdenum(VI)-Pyrazolylpyridine Complexes in Olefin Epoxidation. Crystal Structures of Monomeric Dioxo, Dioxo-mu-oxo, and Oxodiperoxo Derivatives". Inorganic Chemistry 50 2 (2011): 525-538.
    10.1021/ic101384p
  41. Nolasco, Mariela M.; Vaz, Pedro D.; Carlos, Luis Dias. "The role of 4,7-disubstituted phenanthroline ligands in energy transfer of europium(III) complexes: a DFT study". New Journal of Chemistry 35 11 (2011): 2435-2441.
    10.1039/c1nj20441f
  42. Ribeiro-Claro, Paulo J. A.; Vaz, Pedro D.; Nolasco, Mariela. "Crystal structure landscapes from combined vibrational spectroscopy and ab initio calculations: 4-(Dimethylamino)benzaldehyde". Journal of Molecular Structure-Theochem 946 1-3 (2010): 65-69.
    10.1016/j.theochem.2009.12.036
  43. Vaz, Pedro D.; Nolasco, Mariela M.; Gil, Francisco P. S. C.; Ribeiro-Claro, Paulo J. A.; Tomikinson, John. "Hydrogen-Bond Dynamics of C-H center dot center dot center dot O Interactions: The Chloroform center dot center dot center dot Acetone Case". Chemistry-a European Journal 16 30 (2010): 9010-9017.
    10.1002/chem.201000479
  44. Nolasco, Mariela M.; Amado, Ana M.; Ribeiro-Claro, Paulo J. A.. "Insights into phase stability of anhydrous/hydrate systems: a Raman-based methodology". Journal of Raman Spectroscopy 41 3 (2010): 340-349.
    10.1002/jrs.2453
  45. Nolasco, Mariela M.; Amado, Ana M.; Ribeiro-Claro, Paulo J. A.. "Effect of hydrogen bonding in the vibrational spectra of trans-cinnamic acid". Journal of Raman Spectroscopy 40 4 (2009): 394-400.
    10.1002/jrs.2138
  46. Nolasco, Mariela M.; Amado, Ana M.; Ribeiro-Claro, Paulo J. A.. "Spectroscopic and thermal studies on the inclusion of trans-cinnamic acid and a number of its hydroxyl-derivatives with alpha, beta and gamma-cyclodextrins molecules". Journal of Raman Spectroscopy 40 6 (2009): 687-695.
    10.1002/jrs.2182
  47. Pereira, Claudia C. L.; Nolasco, Mariela; Braga, Susana S.; Almeida Paz, Filipe A.; Ribeiro-Claro, Paulo; Pillinger, Martyn; Goncalves, Isabel S.. "A combined theoretical-experimental study of the inclusion of niobocene dichloride in native and permethylated beta-cyclodextrins". Organometallics 26 17 (2007): 4220-4228.
    10.1021/om7003749
  48. Bruno, Sofia M.; Pereira, Claudia C. L.; Balula, Maria Salete; Nolasco, Mariela; Valente, Anabela A.; Hazell, Alan; Pillinger, Martyn; Ribeiro-Claro, Paulo; Goncalves, Isabel S.. "New chloro and triphenylsiloxy derivatives of dioxomolybdenum(VI) chelated with pyrazolylpyridine ligands: Catalytic applications in olefin epoxidation". Journal of Molecular Catalysis a-Chemical 261 1 (2007): 79-87.
    10.1016/j.molcata.2006.07.064
  49. Amado, Ana M.; Nolasco, Mariela M.; Ribeiro-Claro, Paulo J. A.. "Probing pseudopolymorphic transitions in pharmaceutical solids using Raman spectroscopy: Hydration and dehydration of theophylline". Journal of Pharmaceutical Sciences 96 5 (2007): 1366-1379.
    10.1002/jps.20923
  50. Vaz, Pedro D.; Nunes, Carla D.; Vasconcellos-Dias, Maria; Nolasco, Mariela M.; Ribeiro-Claro, Paulo J. A.; Calhorda, Maria Jose. "Vibrational study on the local structure of post-synthesis and hybrid mesoporous materials: Are there fundamental distinctions?". Chemistry-a European Journal 13 28 (2007): 7874-7882.
    10.1002/chem.200700310
  51. Nolasco, Mariela M.; Amado, Ana M.; Ribeiro-Claro, Paulo J. A.. "Computationally-assisted approach to the vibrational spectra of molecular crystals: Study of hydrogen-bonding and pseudo-polymorphism". Chemphyschem 7 10 (2006): 2150-2161.
    10.1002/cphc.200600308
  52. Nolasco, MM; Ribeiro-Claro, PJA. "C-H center dot center dot center dot O hydrogen bonds in cyclohexenone reveal the spectroscopic behavior of C-sp3-H and C-sp2-H donors". Chemphyschem 6 3 (2005): 496-502.
    10.1002/cphc.200400423
  53. Vaz, PD; Nolasco, M; Fonseca, N; Amado, AM; da Costa, AMA; Felix, V; Drew, MGB; Goodfellow, BJ; Ribeiro-Claro, PJA. "C-H center dot center dot center dot O hydrogen bonding in 4-phenyl-benzaldehyde: A comprehensive crystallographic, spectroscopic and computational study". Physical Chemistry Chemical Physics 7 16 (2005): 3027-3034.
    10.1039/b506834g
Thesis / Dissertation
  1. Nolasco, Mariela. "C-H…O hydrogen bonds in supramolecular systems". PhD, Universidade de Aveiro, 2007. http://hdl.handle.net/10773/3181.
Activities

Oral presentation

Presentation title Event name
Host (Event location)
2023/10/31 Assessing the structural dynamics of chloromethane derivatives through INS SiMol 2023 - Simulation Meets Molecular Spectroscopy
ISIS Neutron and Muon Source-Molecular Spectroscopy User Group (Didcot, United Kingdom)
2023/06/21 Micro-structure and dynamics of polymers: lessons learned from inelastic neutron scattering (INS) and periodic-DFT calculations ICOSIMS-2023
University of Aveiro - Department of Physics (Aveiro, Portugal)
2022 Inside polymers: unravelling polymer structure and dynamics with neutrons Materials-2022
(Boston, United States)
2020/10 Hidden domains in cellulose materials revealed by INS Molecular Spectroscopy Science Meeting (MSSM2020), Abingdon
(United Kingdom)
2018/09 Eu-3+complex-based hybrid materials for luminescent solar concentrators Jornadas Ibéricas de Fotoquímica (6 JIF 2018), University of Aveiro, Aveiro
(Portugal)
2018/07 Vibrational portrait of a deep eutectic solvent: shape and hydrogen bonds X Iberian Spectroscopy Conference (X CIE) and the XXVI National Spectroscopy Meeting, University of Lisbon (FCUL),
(Portugal)
2017/06 Architecture of deep eutectic solvents – lessons learned from vibrational spectroscopy 2nd PaTH Spring Workshop, University of Aveiro, Aveiro
(Portugal)
2017 Inelastic Neutron Scattering study of Reline: shedding light on the hydrogen bonding network of deep eutectic solvents Research day 2017
2016/06 Toward efficient Eu(III)-based materials for Luminescent Solar Concentrators through rational design 12º Encontro Nacional de Química-Física, University of Évora, Évora
(Portugal)
2015/06 Electronic structure assessment of lanthanide complexes: A theoretical-experimental approach Computational Approaches to Materials Design, University of Aveiro, Aveiro
(Portugal)
2014/09 Highly luminescent MCM-41 impregnated with a Eu3+ ß-diketonate complex: an experimental-theoretical electronic structure assessment studies VI Rare-Earth conference (Terras Raras), UFP, Recife
(Brazil)
2014/04 Engineering highly efficient Eu(III)-based tri-ureasil hybrids toward luminescent solar concentrators 10º Conferência de Química Inorgânica da SPQ, Lisboa
(Portugal)
2014 Modelling lanthanide complexes: a theoretical-experimental approach Research day 2014
2013/05 Looking into weak hydrogen bonds through neutrons 11th National Meeting on Physical-Chemistry, Porto
(Portugal)
2012/11 Assessing the structure of organic liquids through hydrogen bond dynamics Advances and Frontiers in Chemical Spectroscopy with Neutrons
(United Kingdom)
2010/01 TD-DFT studies on excited state properties of a new Eu3+ ß-diketonate complex: a trans-to-cis ligand photoisomerization case VII Jornadas do CICECO, University of Aveiro, Aveiro
(Portugal)
2008/06 Spectroscopic characterization of polymorphism in molecular solids XXI Encontro Nacional da SPQ, University of Porto
(Portugal)
2007/09 Pairs in molecular materials: towards the understanding of the vibrational spectra of pharmaceutical drugs 12th European Congress on the Spectroscopy of Biological Molecules, Paris
(France)
2007/01 Computationally-assisted approach to the vibrational spectra of molecular crystals IV Jornadas Ciceco, University of Aveiro, Aveiro
(Portugal)
2005/09 Locating the H…O stretching mode in C-H…O hydrogen bonds using INS 9th Oxford School on Neutron Scattering, Oxford
(United Kingdom)
2005/07 Raman spectroscopic study of the hydration process of methyl-xantines 2nd International Conference on Diffusion in Solids and Liquids, University of Aveiro, Aveiro
(Portugal)

Supervision

Thesis Title
Role
Degree Subject (Type)
Institution / Organization
2024/04/02 - Current Development of potential innovative inorganic fluorophore in the near infrared: an experimental approach for otimized performance
Supervisor
Chemistry (Other)
Universidade de Aveiro Departamento de Química, Portugal
2024/02/04 - Current Development of Teaching Materials for Scientific Dissemination of Nanoscience and Nanotechnology in Science Museums and Social Media
Co-supervisor
Chemistry (Other)
Universidade de Aveiro Departamento de Química, Portugal
2024/02/01 - Current Silica from rice husks - characterization and modelling
Co-supervisor
Chemistry (Degree)
Universidade de Aveiro Departamento de Química, Portugal
2024/01/01 - Current Silica from rice husks with application in luminescent materials and energy conversion devices
Co-supervisor
Chemical Engineering (Master)
Universidade de Aveiro Departamento de Química, Portugal
2022 - Current Development of Sustainable Materials with Luminescence in the Near Infrared Region for Application in Luminescent Solar Concentrators
Supervisor
Chemistry (Master)
Universidade de Aveiro, Portugal
2022 - Current Preparation and characterization of biomass results modified with Protoporphyrin IX for application in photodynamic therapy
Supervisor
Chemistry (Degree)
Universidade de Aveiro, Portugal
2022 - Current Development and application of biocompatible materials for medical devices
Supervisor
Chemistry (Degree)
Universidade de Aveiro, Portugal
2022 - Current DES-water interactions: a computational spectroscopy view
Co-supervisor
Chemistry (Degree)
Universidade de Aveiro, Portugal
2020 - Current Melanin solubility enhancement using Deep Eutectic Solvents (DES)
Supervisor
2018 - Current Toward energy-saving WOLED technologies: a rational design of luminescent dendrimers-lanthanide materials, SFRH/ BD/139811/U2018
Supervisor
2017 - Current Exploring the Structural Landscape Of Deep Eutetics – a computational and spectroscopic approach
Co-supervisor
2017 - Current Theoretical modelling of poli(benzyl-ether) dendrimers by semi-empirical and DFT calculations, Compete:POCI-01-0145-FEDER-007679
Supervisor
2013 - Current Compostos de Inclusão em Ciclodextrinas de Complexos Luminescentes de Európio
Supervisor
2023/01/01 - 2023/11/28 Development of near-infrared emitting nanometer bioprobe materials based on Egyptian Blue
Supervisor
Chemistry (Master)
Universidade de Aveiro Departamento de Química, Portugal
2019 - 2020 New materials for Luminescent solar concentrators
Supervisor
2019 - 2020 Efeito da entropia induzida pela assimetria em solventes eutéticos profundos (DES)
Co-supervisor
2018 - 2019 Synthesis and structural characterization of lanthanide ¿-diketonate-dendrimers, BIC/UI89/8406/2018
Supervisor
2018 - 2018 DFT na modelação de materiais orgânicos cristalinos, POCI-01-0145-FEDER-007679
Supervisor
2017 - 2018 Photo-stabilization of Europium luminescent complexes by doping in PMMA matrices intercalated with melanin
Supervisor
2012 - 2013 Development of Eu and Tb complexes with imaging and therapeutic applications in cancer
Co-supervisor
2011 - 2013 Modeling visible-emitting lanthanide complexes for OLED-RGB applications: a computational-experimental approach, BI/UI89/5377/2011
Supervisor

Event organisation

Event name
Type of event (Role)
Institution / Organization
2018/09 - Current VIth Jornadas Ibéricas de Fotoquímica (6 JIF 2018), University of Aveiro, Portugal (2018/09)
Congress (Member of the Organising Committee)
Universidade de Aveiro, Portugal
2018/07 - Current X Iberian Spectroscopy Conference/XXVI National Spectroscopy Meeting, Faculdade de Ciências e Tecnologia / Universidade Nova de Lisboa (2018/07)
Congress (Member of the Organising Committee)
Fundação da Faculdade de Ciências da Universidade de Lisboa, Portugal
2012/05 - Current Applications of computational methods to lanthanide complexes, Professor Ricardo Longo (2012/05)
Seminar (President of the Organising Committee)
Universidade de Aveiro, Portugal
2010/04 - Current 2nd Portuguese Young Chemists Meeting 2PYCheM (2010/04)
Meeting (Member of the Organising Committee)
Universidade de Aveiro, Portugal
2024/09/02 - 2024/09/06 Materials Research with Neutrons (2024/09/02 - 2024/09/06)
Seminar (President of the Organising Committee)
Sociedade Portuguesa de Física, Portugal
2023/11/17 - 2023/11/17 How to write a neutron beamtime proposal and be Successfull A) What and where are the international neutron facilities B) How to apply for neutron beamtime C) Building a 2 pages proposal Do’s and Dont’s of a successful proposal D )Practical training: write your proposal (1st hands-on workshop) (2023 - 2023)
Workshop (President of the Organising Committee)
Universidade de Aveiro CICECO, Portugal

Event participation

Activity description
Type of event
Event name
Institution / Organization
2018/07 - Current Participation as Chairperson
Conference
X Iberian Spectroscopy Conference/XXVI National Spectroscopy Meeting
Fundação da Faculdade de Ciências da Universidade de Lisboa, Portugal
2008 - Current Chairperson
Conference
4th International Conference in Solids and Liquids, Barcelone, Spain

Association member

Society Organization name Role
2019 - Current Member Working Group 2 - WG 2 - Materials development, their processing and characterization, and computational studies - COST Action FUR4Sustain on furans (CA18220)
2018 - Current Member of the Portuguese group Neutrons and Muons in Portugal – NeMPo installing committee
2004 - Current Member of the Portuguese Chemical Society – Divisão de Química-Física; Divisão de Química Inorgânica e Bioinorgânica; Grupo de Química Computacional

Course / Discipline taught

Academic session Degree Subject (Type) Institution / Organization
2019 - 2020 Química-Física Biológica, Teacher (Licenciatura) Universidade de Aveiro, Portugal
2019 - 2020 Química-Física I, Teacher (Licenciatura) Universidade de Aveiro, Portugal
2018 - 2019 Estrutura Atómica e Molecular (Licenciatura) Universidade de Aveiro, Portugal
2018 - 2019 Química-Física I, Teacher (Licenciatura) Universidade de Aveiro, Portugal
2016 - 2019 Química Biorgânica, Teacher of Practical Classes (Licenciatura) Universidade de Aveiro, Portugal
2016 - 2018 Elementos de Química-Física, Teacher of Practical Classes (Licenciatura) Universidade de Aveiro, Portugal
2007 - 2009 Elementos de Química-Física, Teacher of Practical Classes (Licenciatura) Universidade de Aveiro, Portugal
2007 - 2008 Química Geral, Teacher of Practical Classes (Licenciatura) Universidade de Aveiro, Portugal

Interview (newspaper / magazine)

Activity description Newspaper / Forum
2018 ISIS annual review 2018
2018 SCARF annual report 2018
2017 SCARF annual report 2017

Interview (tv / radio show)

Program Topic
2014 - Current Programa Click, Antena1 radio station Luminescent Solar Concentrators

Other jury / evaluation

Activity description Institution / Organization
2019 - Current Guest Editor of the Special Issue of Molecules on the theme “Computational Spectroscopy 2019” belonging to the section “Physical Chemistry”
Distinctions

Award

2021 ISIS Neutron & Muon Source Impact Awards 2021, Society:https://www.isis.stfc.ac.uk/Pages/The-2021-ISIS-Impact-Award---Society.aspx
STFC ISIS Neutron and Muon Source - UK, United Kingdom

Other distinction

2019 Women in Neutron Science: https://neutronsources.org/women-in-science/women-in-neutron-science/mariela-nolasco