Mariela Martins Nolasco

Assistant Researcher

Biography

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 University Federal Pernambuco (UFP-Brazil) in the group Laboratório de Química Teórica e Computacional (LQTC), under Professor Ricardo Longo supervision.

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, Hydrogen Bonds Dynamics as well as NIR-bioprobes.

MN is the author of 50 SCI papers, 1 book chapter and presented more than 50 conference  communications -Metrics SCOPUS, January 2023: h-index=21, 1571 citations .

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 was/is the PI of 7 R&D projects (2 National FCT projects, 5 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 14 R&D projects

Awards and distinctions

International short-term projects

AS PRINCIPAL INVESTIGATOR

2023 - RB2310313, ISIS Facility, Mariela Nolasco et al; (2023): Kraft Lignin Solubility in Deep Eutetic Solvents, STFC ISIS Neutron and Muon Source – UK

2021 - RB2000214, ISIS Facility, Mariela Nolasco et al; (2021): Inside bio-based furan polymers: Conformation and Dynamics in Crystalline and Amorphous Domains, STFC ISIS Neutron and Muon Source – UK, doi.org/10.5286/ISIS.E.RB2000214

2020 - RB2010042, ISIS Facility, Mariela Nolasco et al; (2020): Hydrophobic DES and water: intermolecular interactions for tailored solvents, STFC ISIS Neutron and Muon Source - UK, doi.org/10.5286/ISIS.E.RB2010042

2018 - RB1810054, ISIS Facility, Mariela Nolasco et al; (2018): Exploring asymmetry-induced entropy in deep eutectic solvents, STFC ISIS Neutron and Muon Source -UK, doi:10.5286/ISIS.E.92921697

 2016 - RB1620171, ISIS Facility,  Mariela Nolasco et al; (2016): INS Study of Deep Eutectic Solvents, STFC ISIS Neutron and Muon Source - UK, doi:10.5286/ISIS.E.83550900

AS TEAM MEMBER

2022 – SM25522-1, Diamond Light Source, Paulo Ribeiro-Claro et al; (2022): Real-Time Monitoring of Diffusion and Accessibility of Methylpyridines to Acid Sites Within ZSM-5 Zeolites, UK

2021 – DIR -224 - FILL2030, Institut Laue-Langevin- ILL Facility - Grenoble, Paulo Ribeiro-Claro et al; (2021): Unravelling the interactions of hydrophobic deep eutectic solvents with water (cont.)). https://dx.doi.org/10.5291/ill-data.dir-200

2020 – DIR-170/2019-4, ILL Facility - Grenoble, Paulo Ribeiro-Claro et al; (2020): Unraveling the structure of Brønsted/Lewis acid sites using probe molecules and smart control of HZSM-5 zeolite, 10.5291/ILL-DATA.DIR-170

2020 – DIR -200 - FILL2030, Institut Laue-Langevin- ILL Facility - Grenoble, Paulo Ribeiro-Claro et al; (2020): Unravelling the interactions of hydrophobic deep eutectic solvents with water https://dx.doi.org/10.5291/ill-data.dir-200

2019 – RB1920244, ISIS Facility, (46.872,00 €)- Paulo Ribeiro-Claro et al; (2019): API-DES: improving drug solubility with deep eutectic solvents, STFC ISIS Neutron and Muon Source - UK, https://doi.org/10.5286/ISIS.E.RB1920244

2018 - RB1820360, ISIS Facility, (46.872,00 €)- Paulo Ribeiro-Claro et al; (2018): Structural characterization of cellulose-based nanocomposites, STFC ISIS Neutron and Muon Source - UK https://doi.org/10.5286/ISIS.E.RB1820360

2016 - RB1610474, ISIS Facility, Carla Duarte Nunes et al; (2016): How an olefin adsorbs at a catalyst's surface and its implications to the chemical process, STFC ISIS Neutron and Muon Source - UK https://doi.org/10.5286/ISIS.E.RB1610474

2016 - RB1610481, ISIS Facility, 2016 (46.872,44 €) – Pedro Vaz et al; (2016): INS study for the structural characterization of cellulosic nanostructured materials, STFC ISIS Neutron and Muon Source - UK, https://doi.org/10.5286/ISIS.E.RB1610481

2004 – RB15119, ISIS Facility, Paulo Ribeiro-Claro et al; (2004):  Locating the HO mode in C-HO hydrogen bonds, STFC ISIS Neutron and Muon Source – UK

Membership

Member of the Access Panel FAP 5 Molecular Spectroscopy (beamtime proposals) at the ISIS Neutron Source Facility (UK), 2022-2023

Member of the Portuguese group Neutrons and Muons in Portugal – NeMPo installing committee

Member of the Working Group 2 - WG 2 - Materials development, their processing and characterization, and computational studies - COST Action FUR4Sustain on furans (CA18220)

Member of the Portuguese Chemical Society – Chemical Physics; Inorganic and Biorganic Chemistry; Computational Chemistry 

Scientific activity spreading

“A Química que nos rodeia” Nolasco M. (2022), NEQ-AAUAv -"Palestras de Química”, University of Aveiro

Delve deeper into the structure−property correlations in polymeric materials through inelastic neutron scattering (INS) combined with periodic DFT calculations” Nolasco M. (2021), ConSCIENCE Day “Biotech and Chem Edition”, University of Aveiro

“Európio nas notas de Euro?  Nolasco, M., (2019), Rev. Ciência Elem., V7(1):003, DOI: 10.24927/rce2019.003 

"Design of Luminescent Solar Concentrators: From Theory to Practice" Nolasco, M. (2017), Open Campus- Science and Society: Research in DQ at the service of the community, University of Aveiro

Luminescent Solar Concentrators” Nolasco, M., (2014), Antena1 radio station (Click) - http://www.rtp.pt/play/p384/e140560/click

Main recent collaborations

International

Professor Ricardo Longo, Department of Chemistry, University Federal of Pernambuco, Brazil

Professor Dominique Roberto, Department of Chemistry, University of Milan, Italy

Dr Svemir Rudic, Dr Stewart Parker and Dr Victoria Garcia Sakai, STFC Rutherford Appleton Lab – ISIS Neutron & Muon Source, UK

National

Dr. Sandra Gago, Nova School of Science and Technology, Lisbon

Dr Carla Nunes, Faculty of Sciences, University of Lisbon

Dr Pedro Vaz, Champalimaud Foundation, Lisbon

Professor Artur Silva, QOPNA, University of Aveiro

Professor Vera Lúcia, QOPNA, University of Aveiro

Professor Luís Carlos, CICECO, University of Aveiro

Dr. Sofia Bruno, CICECO, University of Aveiro

Dr. Vítor Gaspar, CICECO, University of Aveiro

Ongoing Supervisions

Projects

Publications

Vibrational Dynamics of Crystalline 4-Phenylbenzaldehyde from INS Spectra and Periodic DFT Calculations

Nolasco, MM; Araujo, CF; Vaz, PD; Amado, AM; Ribeiro-Claro, P
2020, MOLECULES, 25, 6.
ISBN: 1420-3049

Preformulation Studies of the gamma-Cyclodextrin and Montelukast Inclusion Compound Prepared by Comilling

Barbosa, JS; Nolasco, MM; Ribeiro-Claro, P; Paz, FAA; Braga, SS
2019, JOURNAL OF PHARMACEUTICAL SCIENCES, 108, 5, 1837-1847.
ISBN: 1520-6017

What a difference a methyl group makes - probing choline-urea molecular interactions through urea structure modification

Silva, LP; Araujo, CF; Abranches, DO; Melle-Franco, M; Martins, MAR; Nolasco, MM; Ribeiro-Claro, PJA; Pinho, SP; Coutinho, JAP
2019, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 21, 33, 18278-18289.
ISBN: 1463-9084

Vibrational dynamics of 4-fluorobenzaldehyde from periodic DFT calculations

Ribeiro-Claro P.J.A.; Vaz P.D.; Nolasco M.M.; Araujo C.F.; Gil F.P.S.C.; Amado A.M.
2019, Chemical Physics Letters: X, 2.

Eur—pio nas notas de Euro?

Nolasco, MM
2019, Revista de Cincia Elementar, 7, 1.

API-DES: improving drug solubility with deep eutectic solvents

Ribeiro-Claro, P; Rudic, S; Nolasco, M; Araujo, C; Freire, C; Pedro, S; Vaz, PD; Vilela, C
2019, STFC ISIS Neutron and Muon Source.

Inside PEF: Chain Conformation and Dynamics in Crystalline and Amorphous Domains

Araujo, CF; Nolasco, MM; Ribeiro-Claro, PJA; Rudic, S; Silvestre, AJD; Vaz, PD; Sousa, AF
2018, MACROMOLECULES, 51, 9, 3515-3526.

Hydrogen Bond Dynamics of Cellulose through Inelastic Neutron Scattering Spectroscopy

Araujo, C; Freire, CSR; Nolasco, MM; Ribeiro-Claro, PJA; Rudic, S; Silvestre, AJD; Vaz, PD
2018, BIOMACROMOLECULES, 19, 4, 1305-1313.

Identification of microplastics using Raman spectroscopy: Latest developments and future prospects

Araujo, CF; Nolasco, MM; Ribeiro, AMP; Ribeiro-Claro, PJA
2018, WATER RESEARCH, 142, 426-440.

Understanding the vibrational spectra of crystalline isoniazid: Raman, IR and INS spectroscopy and solid-state DFT study

Ribeiro-Claro, PJA; Vaz, PD; Nolasco, MM; Amado, AM
2018, SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 204, 452-459.

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