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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 46 articles in international peer reviewed multidisciplinary journals (16 as corresponding author), several oral and poster communications in national and international conferences (40) and 1 book chapter. The quality and impact of Mariela´s scientific work is demonstrated by an accumulated number of citations of > 1300 and h-index = 19 (Scopus). 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 (2011-2013, 2017, 2018-2019), 7 BSc undergraduate research project (2012-2013, 2019-2020, 2021-2022), 3 MSc Master thesis (2012-2013, 2019-2020, 2021-2022), co-supervision and supervision of 2 PhD fellowships (2017-present) and supervision of 1 post-doctoral fellowship (2018-2019), 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.
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Identificação

Identificação pessoal

Nome completo
Mariela Nolasco
Data de nascimento
1978/08/28
Género
Feminino

Nomes de citação

  • Nolasco, Mariela

Identificadores de autor

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

Endereços de correio eletrónico

  • mnolasco@ua.pt (Profissional)

Telefones

Telefone
  • 234 370 36 Ext.: 23552 (Profissional)

Moradas

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

Websites

Domínios de atuação

  • Ciências da Engenharia e Tecnologias - Nanotecnologia - Nanomateriais
  • Ciências Exatas - Química - Química Física

Idiomas

Idioma Conversação Leitura Escrita Compreensão Peer-review
Espanhol; Castelhano (Idioma materno)
Português (Idioma materno)
Inglês Utilizador proficiente (C2) Utilizador proficiente (C2) Utilizador proficiente (C2) Utilizador proficiente (C2) Utilizador proficiente (C2)
Francês Utilizador elementar (A2) Utilizador elementar (A2) Utilizador elementar (A2) Utilizador elementar (A2) Utilizador elementar (A2)
Formação
Grau Classificação
2007
Concluído
 PhD in Chemistry (Doutoramento)
Universidade de Aveiro, Portugal
"C-H…O hydrogen bonds in supramolecular systems " (TESE/DISSERTAÇÃO)
 Approved
2003
Concluído
 Chemistry (Licenciatura)
Universidade de Aveiro, Portugal
 15
1999
Concluído
 Chemistry Engineering (Bacharelato)
Instituto Politécnico de Coimbra Instituto Superior de Engenharia de Coimbra, Portugal
 12
Percurso profissional

Ciência

Categoria Profissional
Instituição de acolhimento 		Empregador
2022 - Atual Investigador Auxiliar (carreira) (Investigação) Universidade de Aveiro, Portugal
2017/01/01 - 2021/12/31 Investigador Contratado (Investigação) Universidade de Aveiro CICECO, Portugal

Outros

Categoria Profissional
Instituição de acolhimento 		Empregador
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, Brasil
2007 - 2009 Teaching activities in the Elements of Physical Chemistry and General Chemistry lectures Universidade de Aveiro, Portugal
Projetos

Bolsa

Designação Financiadores
2007 - 2014 Modelling visible-emitting lanthanide complexes for OLED-RGB applications: a computational experimental approach
SFRH/BPD/32103/2006
Bolseiro de Pós-Doutoramento
Fundação para a Ciência e a Tecnologia
Concluído
2004 - 2007 C-H…O hydrogen bonds in supramolecular systems
SFRH/BD/18854/2004
Bolseiro de Doutoramento
Fundação para a Ciência e a Tecnologia
Concluído

Projeto

Designação Financiadores
2021 - Atual Inside bio-based furan polymers: Conformation and Dynamics in Crystalline and Amorphous Domains,
RB2000214
Investigador responsável
STFC ISIS Neutron and Muon Source - UK, Reino Unido
 ISIS, UK Research & Innovation
Concluído
2020 - Atual Hydrophobic DES and water: intermolecular interactions for tailored solvents
RB2010042
Investigador responsável
STFC ISIS Neutron and Muon Source - UK, Reino Unido
 ISIS, UK Research & Innovation
Em curso
2020 - Atual Unravelling the interactions of hydrophobic deep eutectic solvents with water
DIR -200 - FILL2030
Investigador
Institut Laue–Langevin , França
Em curso
2020 - Atual Unraveling the structure of Brønsted/Lewis acid sites using probe molecules and smart control of HZSM-5 zeolite
DIR-170/2019-4
Investigador
Institut Laue–Langevin , França
Em curso
2019 - Atual European network of FURan based chemicals and materials FOR a Sustainable development (FUR4Sustain)
CA18220
Investigador
Universidade de Aveiro, Portugal
 European Cooperation in Science and Technology
Em curso
2018 - Atual Innovative, tunable and sustainable white-light emitting diodes. WINLEDs - White INnovative LEDs
POCI-01-0145-FEDER-030351
Investigador
Universidade de Aveiro CICECO, Portugal
 Fundação para a Ciência e a Tecnologia
Em curso
2017 - Atual SusPhotoSolutions - Sustainable Photovoltaic Solutions
CENTRO-01-0145-FEDER-000005
Investigador
Universidade de Aveiro CICECO, Portugal
 Fundação para a Ciência e a Tecnologia
Em curso
2017 - Atual Toward energy-saving WOLED technologies: a rational design of luminescent dendrimers-lanthanide materials
IF/01468/2015
Investigador responsável
Universidade de Aveiro CICECO, Portugal
 Fundação para a Ciência e a Tecnologia
Em curso
2019 - 2019 API-DES: improving drug solubility with deep eutectic solvents
RB1920244
Investigador
STFC ISIS Neutron and Muon Source - UK, Reino Unido
 ISIS, UK Research & Innovation
2018 - 2018 Exploring asymmetry-induced entropy in deep eutectic solvents
RB1810054
Investigador responsável
STFC ISIS Neutron and Muon Source - UK, Reino Unido
 ISIS, UK Research & Innovation
Concluído
2018 - 2018 Structural characterization of cellulose-based nanocomposites
RB1820360
Investigador
STFC ISIS Neutron and Muon Source - UK, Reino Unido
 ISIS, UK Research & Innovation
Concluído
2016 - 2016 INS Study of Deep Eutectic Solvents
RB1620171
Investigador responsável
STFC ISIS Neutron and Muon Source - UK, Reino Unido
 ISIS, UK Research & Innovation
Concluído
2016 - 2016 INS study for the structural characterization of cellulosic nanostructured materials
RB1610481
Investigador responsável
STFC ISIS Neutron and Muon Source - UK, Reino Unido
 ISIS, UK Research & Innovation
Concluído
2016 - 2016 How an olefin adsorbs at a catalyst's surface and its implications to the chemical process
RB1610474
Investigador Pós-doutorado
STFC ISIS Neutron and Muon Source - UK, Reino Unido
 ISIS, UK Research & Innovation
Concluído
2011/02 - 2013/07 Modeling visible-emitting lanthanide complexes for OLED-RGB applications: a computational-experimental approach
Provided by PTCRIS: 112168
Investigador responsável
Fundação para a Ciência e a Tecnologia
2008/01 - 2010/12 Water Nanodrops in Microporous and Inorganic-Organic Hybrid Materials
Provided by PTCRIS: 65805
Outra
Fundação para a Ciência e a Tecnologia
Produções

Publicações

Artigo em revista
  1. 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
  2. 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
  3. 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
  4. 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
  5. 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
  6. 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
  7. 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
  8. 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
  9. 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
  10. Mariela Nolasco. "Európio nas notas de Euro?". Revista de Ciência Elementar (2019): https://doi.org/10.24927/rce2019.003.
    10.24927/rce2019.003
  11. 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
  12. 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
  13. 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
  14. 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
  15. 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
  16. 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
  17. 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
  18. 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
  19. 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
  20. 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
  21. 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
  22. 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
  23. 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
  24. 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
  25. 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
  26. 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
  27. 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
  28. 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
  29. 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
  30. 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
  31. 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
  32. 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
  33. 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
  34. 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
  35. 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
  36. 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
  37. 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
  38. 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
  39. 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
  40. 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
  41. 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
  42. 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
  43. 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
  44. 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
  45. 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
  46. 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
  47. 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
Capítulo de livro
  1. Ribeiro-Claro, P.; Nolasco, M.M.; Araújo, C.. "Characterization of Microplastics by Raman Spectroscopy". 2017.
    10.1016/bs.coac.2016.10.001
Poster em conferência
  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". Trabalho apresentado em 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". Trabalho apresentado em 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". Trabalho apresentado em 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". Trabalho apresentado em 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". Trabalho apresentado em Molecular Spectroscopy Science Meeting, Abingdon, 2015.
  6. Nolasco, Mariela; Nolasco, M. "Modelling lanthanide complexes: a theoretical-experimental approach". Trabalho apresentado em 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". Trabalho apresentado em 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". Trabalho apresentado em 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". Trabalho apresentado em 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". Trabalho apresentado em 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". Trabalho apresentado em 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". Trabalho apresentado em 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". Trabalho apresentado em 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". Trabalho apresentado em 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". Trabalho apresentado em 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". Trabalho apresentado em 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". Trabalho apresentado em XXI Encontro Nacional da SPQ, Porto, 2008.
  18. Nolasco, Mariela; Sardo, M; Nolasco, M; Amado, AM; Ribeiro-Claro, P. "PiMM: Pairs in Molecular Materials". Trabalho apresentado em 8º Encontro Nacional da Química-Física, Luso, 2007.
  19. Nolasco, Mariela; Sardo, M; Nolasco, M; Amado, AM; Ribeiro-Claro, P. "Spectroscopic characterization of nitrofurantion polymorphs using the PiMM approach". Trabalho apresentado em V Jornadas CICECO, University of Aveiro, 2007.
  20. Nolasco, Mariela; Amado, AM; Nolasco, M; Sardo, M; Ribeiro-Claro, P. "Polymorphic and pseudopolymorphic transformations in pharmaceutical drugs: a Raman spectroscopy study". Trabalho apresentado em XX Encontro Nacional da SPQ, Lisbon, 2006.
  21. Nolasco, Mariela; Ribeiro-Claro, P; Amado, AM; Sardo, M; Nolasco, M. "Pairs in Molecular Materials". Trabalho apresentado em XX Encontro Nacional da SPQ, Lisbon, 2006.
  22. Nolasco, Mariela; Nolasco, M; Amado, AM; Ribeiro-Claro, P. "Raman spectrocopic study of the hydration and dehydration processes of caffeine". Trabalho apresentado em Medicinal Chemistry in the 21st century, Lisbon, 2006.
  23. Nolasco, Mariela; Amado, AM; Nolasco, M; Ribeiro-Claro, P. "Vibrational study of the hydration and dehydration processes of antibacterial Nitrofurantoin drug". Trabalho apresentado em Medicinal Chemistry in the 21st century, Lisbon, 2006.
  24. Nolasco, Mariela; Nolasco, M; Vaz, PD; Ribeiro-Claro, P. "Probing molecular association with vibrational spectroscopy: Raman and Inelastic Neutron Scattering (INS)". Trabalho apresentado em 1st European Chemistry Congress, Budapest, 2006.
  25. Nolasco, Mariela; Nolasco, M; Amado, AM; Ribeiro-Claro, P. "Raman spectroscopic study of the hydration process of methyl-xanthines". Trabalho apresentado em Surface Enhanced Raman Spectroscopy, London, 2005.
  26. Nolasco, Mariela; Nolasco, M; Amado, AM; Ribeiro-Claro, P. "Vibrational spectroscopic study of the intermolecular H-bonding and polymorphism in methyl-xanthines". Trabalho apresentado em 8º Encontro Nacional da Química-Física, Porto, 2005.
  27. Nolasco, Mariela; Nolasco, M; Vaz, PD; Ribeiro-Claro, P. "Probing molecular association with vibrational spectroscopy: Raman scattering and inelastic neutron scattering". Trabalho apresentado em II Jornadas CICECO, Aveiro, 2005.
  28. Nolasco, Mariela; Nolasco, M; Amado, AM; Ribeiro-Claro, P. "Phenolic derivatives of cinnamic acid included in cyclodextrins: a combined theoretical and spectroscopic study". Trabalho apresentado em Congreso Ibérico de Espectroscopia, Las Palmas de Gran Canária, 2004.
Tese / Dissertação
  1. Nolasco, Mariela. "C-H…O hydrogen bonds in supramolecular systems". Doutoramento, Universidade de Aveiro, 2007. http://hdl.handle.net/10773/3181.
Atividades

Apresentação oral de trabalho

Título da apresentação Nome do evento
Anfitrião (Local do evento)
2022 Inside polymers: unravelling polymer structure and dynamics with neutrons Materials-2022
(Boston, Estados Unidos)
2020/10 Hidden domains in cellulose materials revealed by INS Molecular Spectroscopy Science Meeting (MSSM2020), Abingdon
(Reino Unido)
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
(Brasil)
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
(Reino Unido)
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
(França)
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
(Reino Unido)
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)

Orientação

Título / Tema
Papel desempenhado 		Curso (Tipo)
Instituição / Organização
2022 - Atual Development of Sustainable Materials with Luminescence in the Near Infrared Region for Application in Luminescent Solar Concentrators
Orientador
 Chemistry (Mestrado)
Universidade de Aveiro, Portugal
2022 - Atual Preparation and characterization of biomass results modified with Protoporphyrin IX for application in photodynamic therapy
Orientador
 Chemistry (Licenciatura/Bacharelato)
Universidade de Aveiro, Portugal
2022 - Atual Development and application of biocompatible materials for medical devices
Orientador
 Chemistry (Licenciatura/Bacharelato)
Universidade de Aveiro, Portugal
2022 - Atual DES-water interactions: a computational spectroscopy view
Coorientador
 Chemistry (Licenciatura/Bacharelato)
Universidade de Aveiro, Portugal
2020 - Atual Melanin solubility enhancement using Deep Eutectic Solvents (DES)
Orientador
2018 - Atual Toward energy-saving WOLED technologies: a rational design of luminescent dendrimers-lanthanide materials, SFRH/ BD/139811/U2018
Orientador
2017 - Atual Exploring the Structural Landscape Of Deep Eutetics – a computational and spectroscopic approach
Coorientador
2017 - Atual Theoretical modelling of poli(benzyl-ether) dendrimers by semi-empirical and DFT calculations, Compete:POCI-01-0145-FEDER-007679
Orientador
2013 - Atual Compostos de Inclusão em Ciclodextrinas de Complexos Luminescentes de Európio
Orientador
2019 - 2020 New materials for Luminescent solar concentrators
Orientador
2019 - 2020 Efeito da entropia induzida pela assimetria em solventes eutéticos profundos (DES)
Coorientador
2018 - 2019 Synthesis and structural characterization of lanthanide ¿-diketonate-dendrimers, BIC/UI89/8406/2018
Orientador
2018 - 2018 DFT na modelação de materiais orgânicos cristalinos, POCI-01-0145-FEDER-007679
Orientador
2017 - 2018 Photo-stabilization of Europium luminescent complexes by doping in PMMA matrices intercalated with melanin
Orientador
2012 - 2013 Development of Eu and Tb complexes with imaging and therapeutic applications in cancer
Coorientador
2011 - 2013 Modeling visible-emitting lanthanide complexes for OLED-RGB applications: a computational-experimental approach, BI/UI89/5377/2011
Orientador

Organização de evento

Nome do evento
Tipo de evento (Tipo de participação) 		Instituição / Organização
2018/09 - Atual VIth Jornadas Ibéricas de Fotoquímica (6 JIF 2018), University of Aveiro, Portugal (2018/09)
Congresso (Membro da Comissão Organizadora)
 Universidade de Aveiro, Portugal
2018/07 - Atual X Iberian Spectroscopy Conference/XXVI National Spectroscopy Meeting, Faculdade de Ciências e Tecnologia / Universidade Nova de Lisboa (2018/07)
Congresso (Membro da Comissão Organizadora)
 Fundação da Faculdade de Ciências da Universidade de Lisboa, Portugal
2012/05 - Atual Applications of computational methods to lanthanide complexes, Professor Ricardo Longo (2012/05)
Seminário (Presidente da Comissão Organizadora)
 Universidade de Aveiro, Portugal
2010/04 - Atual 2nd Portuguese Young Chemists Meeting 2PYCheM (2010/04)
Encontro (Membro da Comissão Organizadora)
 Universidade de Aveiro, Portugal

Participação em evento

Descrição da atividade
Tipo de evento 		Nome do evento
Instituição / Organização
2018/07 - Atual Participation as Chairperson
Conferência
 X Iberian Spectroscopy Conference/XXVI National Spectroscopy Meeting
Fundação da Faculdade de Ciências da Universidade de Lisboa, Portugal
2008 - Atual Chairperson
Conferência
 4th International Conference in Solids and Liquids, Barcelone, Spain

Curso / Disciplina lecionado

Disciplina Curso (Tipo) Instituição / Organização
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

Entrevista (jornal / revista)

Descrição da atividade Jornal / Forum
2018 ISIS annual review 2018
2018 SCARF annual report 2018
2017 SCARF annual report 2017

Entrevista / Programa (rádio / tv)

Programa Tema
2014 - Atual Programa Click, Antena1 radio station Luminescent Solar Concentrators

Membro de associação

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

Outro júri / avaliação

Descrição da atividade Instituição / Organização
2019 - Atual Guest Editor of the Special Issue of Molecules on the theme “Computational Spectroscopy 2019” belonging to the section “Physical Chemistry”
Distinções

Prémio

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, Reino Unido

Outra distinção

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