Mariela Martins Nolasco

Auxiliary Researcher

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Department

  • Chemistry
  • 15.3.27

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Short CV

2003: Degree in Analytical Chemistry, University of Aveiro, Portugal

 

2003-2007: PhD Chemistry, Thesis title: “C-H…O hydrogen bonds in supramolecular systems“,supervised by Prof. Paulo Ribeiro-Claro University of Aveiro, Chemistry Department, CICECO

2007-present: Post-Doc Student (FCT), Postdoctoral fellow at CICECO supervised by Prof. Luís Carlos, University of Aveiro, Physics Department, CICECO

Scientific Interests

Area of scientific activity

 

The background research work done in the PhD involved combined experimental-theoretical studies of the intermolecular association phenomena in simple and supramolecular systems, being included in the physical chemistry scientific area. Vibrational spectroscopy allows the detection of molecular association in condensed phase, while from the computational point-of-view, the quantum-chemical calculations (DFT and ab initio) provide information about the association mechanisms. Additionally, a new methodology PiMM- Pairs in Molecular Materials, which allows the complete assignment of the vibrational spectra and also the structural elucidation, was successfully developed. Apart from this, some computational studies of intermolecular interactions and spectroscopic properties involving cyclodextrins as second sphere ligands for organometallic complexes and also oxomolybdenum complexes as catalysts are research area of interest. At present, the research work is being developed in the group of Prof. Luis Carlos at the Physics Department of the University of Aveiro. It includes the development, characterization and computational and experimental modeling of new luminescent lanthanide materials and is being performed with the collaboration of some CICECO researchers. Ab initio calculations are being carried out to predict coordination geometries and also to interpret the vibrational spectra while IR, Raman and photoluminescence spectroscopies are used to fully characterize the lanthanide materials.

 

Domain of specialization: Supramolecular Chemistry, Vibrational and Photoluminescence spectroscopy, Computational Chemistry

 

Current research interests: Combined application of vibrational, photoluminescence spectroscopy and ab initio calculations in the study of intermolecular interactions in supramolecular structures

Present projects

Principal Investigator:

 

“Modeling visible-emitting lanthanide complexes for OLED-RGB applications: a computational-experimental approach”, FCT (PTDC/CTM-NAN/112168/2009)

Member of the team:

 
“Controlling the length scale through “chimie douce”: from inorganic functional materials to organic inorganic hybrids”, FCT (POCTI/CTM/46780/2002)

 

Projects

Publications

Poly(4-styrene sulfonic acid)/bacterial cellulose membranes: Electrochemical performance in a single-chamber microbial fuel cell

Vilela, C; Cordeiro, DM; Vilas Boas, J; Barbosa, P; Nolasco, M; Vaz, PD; Rudic, S; Ribeiro-Claro, P; Silvestre, AJD; Oliveira, VB; Pinto, AMFR; Figueiredo, FML; Freire, CSR
2020, Bioresource Technology Reports, 9, 100376.

Asymmetric Monomer, Amorphous Polymer? Structure-Property Relationships in 2,4-FDCA and 2,4-PEF

Nolasco, MM; Araujo, CF; Thiyagarajan, S; Rudic, S; Vaz, PD; Silvestre, AJD; Ribeiro-Claro, PJA; Sousa, AF
2020, MACROMOLECULES, 53, 4, 1380-1387.
ISBN: 1520-5835

Understanding the Structure and Dynamics of Nanocellulose-Based Composites with Neutral and Ionic Poly(methacrylate) Derivatives Using Inelastic Neutron Scattering and DFT Calculations

Vilela, C; Freire, CSR; Araujo, C; Rudic, S; Silvestre, AJD; Vaz, PD; Ribeiro-Claro, PJA; Nolasco, MM
2020, MOLECULES, 25, 7.
ISBN: 1420-3049

Efficient Visible-Light-Excitable Eu3+ Complexes for Red Organic Light-Emitting Diodes

Francis, B; Nolasco, MM; Brandao, P; Ferreira, RAS; Carvalho, RS; Cremona, M; Carlos, LD
2020, EUROPEAN JOURNAL OF INORGANIC CHEMISTRY, 2020, 14, 1260-1270.
ISBN: 1099-0682

High Emission Quantum Yield Tb3+-Activated Organic-Inorganic Hybrids for UV-Down-Shifting Green Light-Emitting Diodes

Correia, SFH; Fernandes, RL; Fu, LS; Nolasco, MM; Carlos, LD; Ferreira, RAS
2020, EUROPEAN JOURNAL OF INORGANIC CHEMISTRY, 2020, 18, 1736-1742.
ISBN: 1099-0682

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

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

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

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.

Inelastic neutron scattering study of reline: shedding light on the hydrogen bonding network of deep eutectic solvents

Araujo, CF; Coutinho, JAP; Nolasco, MM; Parker, SF; Ribeiro-Claro, PJA; Rudic, S; Soares, BIG; Vaz, PD
2017, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 19, 27, 17998-18009.

Excimer Formation in a Terbium Metal-Organic Framework Assists Luminescence Thermometry

Ananias, D; Firmino, ADG; Mendes, RF; Paz, FAA; Nolasco, M; Carlos, LD; Rocha, J
2017, CHEMISTRY OF MATERIALS, 29, 21, 9547-9554.

Intriguing light-emission features of ketoprofen-based Eu(III) adduct due to a strong electron-phonon coupling

Lahoud, MG; Frem, RCG; Galico, DA; Bannach, G; Nolasco, MM; Ferreira, RAS; Carlos, LD
2016, JOURNAL OF LUMINESCENCE, 170, 357-363.

Modelling the Luminescence of Phosphonate Lanthanide-Organic Frameworks

Nolasco, MM; Mendes, RF; Lima, PP; Paz, FAA; Carlos, LD; Rocha, J
2015, EUROPEAN JOURNAL OF INORGANIC CHEMISTRY, 7, 1254-1260.

Influence of the Crystal Structure on the Luminescence Properties of Mixed Eu,La-(1,10-Phenanthroline) Complexes

Yang, TH; Fu, LS; Ferreira, RAS; Nolasco, MM; Rocha, J; Carlos, LD; Shi, FN
2015, EUROPEAN JOURNAL OF INORGANIC CHEMISTRY, 29, 4861-4868.

Light emission of a polyfluorene derivative containing complexed europium ions

Turchetti, DA; Nolasco, MM; Szczerbowski, D; Carlos, LD; Akcelrud, LC
2015, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 17, 39, 26238-26248.

Synthesis, Structural Elucidation, and Catalytic Properties in Olefin Epoxidation of the Polymeric Hybrid Material [Mo3O9(2-[3(5)-Pyrazolyl]pyridine)](n)

Amarante, TR; Neves, P; Gomes, AC; Nolasco, MM; Ribeiro-Claro, P; Coelho, AC; Valente, AA; Paz, FAA; Smeets, S; McCusker, LB; Pillinger, M; Goncalves, IS
2014, INORGANIC CHEMISTRY, 53, 5, 2652-2665.

Modelling the luminescence of extended solids: an example of a highly luminescent MCM-41 impregnated with a Eu3+ beta-diketonate complex

Felicio, MR; Nunes, TG; Vaz, PM; Botas, AMP; Ribeiro-Claro, P; Ferreira, RAS; Freire, RO; Vaz, PD; Carlos, LD; Nunes, CD; Nolasco, MM
2014, JOURNAL OF MATERIALS CHEMISTRY C, 2, 45, 9701-9711.

A green- emitting a- substituted a- diketonate Tb3+phosphor for ultraviolet LED- based solid- state

Nolasco, MM; Vaz, PM; Vaz, PD; Ferreira, RAS; Lima, PP; Carlos, LD
2014, JOURNAL OF COORDINATION CHEMISTRY, 67, 23-24, 4076-4089.

Coordination polymers based on a glycine-derivative ligand

Vilela, SMF; Ananias, D; Silva, P; Nolasco, M; Carlos, LD; Bermudez, VD; Rocha, J; Tome, JPC; Paz, FAA
2014, CRYSTENGCOMM, 16, 35, 8119-8137.

Photo-Click Chemistry to Design Highly Efficient Lanthanide beta-Diketonate Complexes Stable under UV Irradiation

Lima, PP; Nolasco, MM; Paz, FAA; Ferreira, RAS; Longo, RL; Malta, OL; Carlos, LD
2013, CHEMISTRY OF MATERIALS, 25, 4, 586-598.

Engineering highly efficient Eu(III)-based tri-ureasil hybrids toward luminescent solar concentrators

Nolasco, MM; Vaz, PM; Freitas, VT; Lima, PP; Andre, PS; Ferreira, RAS; Vaz, PD; Ribeiro-Claro, P; Carlos, LD
2013, JOURNAL OF MATERIALS CHEMISTRY A, 1, 25, 7339-7350.

Effects of hydrogen-bond and cooperativity in the vibrational spectra of Luminol

Mendes, NFC; Nolasco, MM; Ribeiro-Claro, PJA
2013, VIBRATIONAL SPECTROSCOPY, 64, 119-125.

Intermolecular C-H center dot center dot center dot O interactions in cyclopentanone: An inelastic neutron scattering study

Vaz, PD; Nolasco, MM; Ribeiro-Claro, PJA
2013, CHEMICAL PHYSICS, 427, 117-123.

Dependence of the Lifetime upon the Excitation Energy and Intramolecular Energy Transfer Rates: The 5D0 EuIII Emission Case

Ferreira, RAS; Nolasco, M; Roma, AC; Longo, RL; Malta, OL; Carlos, LD
2012, CHEMISTRY-A EUROPEAN JOURNAL, 18, 38, 12130-12139.

Exploring C-H center dot center dot center dot O hydrogen bonds in dihydrocoumarin from combined vibrational spectroscopy and DFT calculations

Nolasco, MM; Vaz, PM; Vaz, PD; Ribeiro-Claro, PJA
2012, CHEMICAL PHYSICS LETTERS, 551, 86-91.

Chemistry and Catalytic Activity of Molybdenum(VI)-Pyrazolylpyridine Complexes in Olefin Epoxidation. Crystal Structures of Monomeric Dioxo, Dioxo-mu-oxo, and Oxodiperoxo Derivatives

Coelho, AC; Nolasco, M; Balula, SS; Antunes, MM; Pereira, CCL; Paz, FAA; Valente, AA; Pillinger, M; Ribeiro-Claro, P; Klinowski, J; Goncalves, IS
2011, INORGANIC CHEMISTRY, 50, 2, 525-538.

The role of 4,7-disubstituted phenanthroline ligands in energy transfer of europium(III) complexes: a DFT study

Nolasco, MM; Vaz, PD; Carlos, LD
2011, NEW JOURNAL OF CHEMISTRY, 35, 11, 2435-2441.

Hydrogen-Bond Dynamics of C-H center dot center dot center dot O Interactions: The Chloroform center dot center dot center dot Acetone Case

Vaz, PD; Nolasco, MM; Gil, FPSC; Ribeiro-Claro, PJA; Tomikinson, J
2010, CHEMISTRY-A EUROPEAN JOURNAL, 16, 30, 9010-9017.

Insights into phase stability of anhydrous/hydrate systems: a Raman-based methodology

Nolasco, MM; Amado, AM; Ribeiro-Claro, PJA
2010, JOURNAL OF RAMAN SPECTROSCOPY, 41, 3, 340-349.

Crystal structure landscapes from combined vibrational spectroscopy and ab initio calculations: 4-(Dimethylamino)benzaldehyde

Ribeiro-Claro, PJA; Vaz, PD; Nolasco, M
2010, JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 946, 1-3, 65-69.

Effect of hydrogen bonding in the vibrational spectra of trans-cinnamic acid

Nolasco, MM; Amado, AM; Ribeiro-Claro, PJA
2009, JOURNAL OF RAMAN SPECTROSCOPY, 40, 4, 394-400.

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

Nolasco, MM; Amado, AM; Ribeiro-Claro, PJA
2009, JOURNAL OF RAMAN SPECTROSCOPY, 40, 6, 687-695.

Vibrational study on the local structure of post-synthesis and hybrid mesoporous materials: Are there fundamental distinctions?

Vaz, PD; Nunes, CD; Vasconcellos-Dias, M; Nolasco, MM; Ribeiro-Claro, PJA; Calhorda, MJ
2007, CHEMISTRY-A EUROPEAN JOURNAL, 13, 28, 7874-7882.

Probing pseudopolymorphic transitions in pharmaceutical solids using Raman spectroscopy: Hydration and dehydration of theophylline

Amado, AM; Nolasco, MM; Ribeiro-Claro, PJA
2007, JOURNAL OF PHARMACEUTICAL SCIENCES, 96, 5, 1366-1379.

New chloro and triphenylsiloxy derivatives of dioxomolybdenum(VI) chelated with pyrazolylpyridine ligands: Catalytic applications in olefin epoxidation

Bruno, SM; Pereira, CCL; Balula, MS; Nolasco, M; Valente, AA; Hazell, A; Pillinger, M; Ribeiro-Claro, P; Goncalves, IS
2007, JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL, 261, 1, 79-87.

A combined theoretical-experimental study of the inclusion of niobocene dichloride in native and permethylated beta-cyclodextrins

Pereira, CCL; Nolasco, M; Braga, SS; Almeida Paz, FA; Ribeiro-Claro, P; Pillinger, M; Goncalves, IS
2007, ORGANOMETALLICS, 26, 17, 4220-4228.

Computationally-assisted approach to the vibrational spectra of molecular crystals: Study of hydrogen-bonding and pseudo-polymorphism

Nolasco, MM; Amado, AM; Ribeiro-Claro, PJA
2006, CHEMPHYSCHEM, 7, 10, 2150-2161.

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

Nolasco, MM; Ribeiro-Claro, PJA
2005, CHEMPHYSCHEM, 6, 3, 496-502.

C-H center dot center dot center dot O hydrogen bonding in 4-phenyl-benzaldehyde: A comprehensive crystallographic, spectroscopic and computational study

Vaz, PD; Nolasco, M; Fonseca, N; Amado, AM; da Costa, AMA; Felix, V; Drew, MGB; Goodfellow, BJ; Ribeiro-Claro, PJA
2005, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 7, 16, 3027-3034.

Characterization of Microplastics by Raman Spectroscopy

In Teresa A.P. Rocha-Santos, Armando C. Duarte (Eds.), Characterization and Analysis of Microplastics
Paulo Ribeiro Claro, Mariela M Nolasco, Catarina Araújo
2017, 119-151.
ISBN: 978-0-444-63898-4

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