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Contracted Senior Research Chemist in University of Lisbon (CQE) and Invited Assistant Professor in University of Lisbon, Instituto Superior Técnico. Karina Shimizu (KS) graduated in Chemistry in 1998 at Institute of Chemistry, University of São Paulo (USP), Brazil, completed his MSc degree in 2001 (quantum chemical calculations of the solvation of reactants, reaction intermediates, activated complex and products in hydrolysis of carbonyl compounds) and his PhD degree in Physical Chemistry in 2005 (calculation of solvation free energies with the electronegativity equalization method, GBEEM-ELR), both at USP. Works in the area of Chemical Sciences, with emphasis in Physical Chemistry. KS has collaborations with groups from Portugal, Spain, Belgium, Austria, UK, USA, Canada, Brazil, China, Japan and Australia. KS has large experience in the development of implicit solvation models, atomic charge models, genetic algorithm and transition state calculations. Also, KS develops software for molecular dynamics trajectory analysis, calculation of structural, energetic and dynamic properties. KS has more than 25 years of experience in DFT, ab initio and semi-empirical computational methods (Gaussian, ORCA, DALTON, AMSOL and Spartan packages), contributing on theoretical pKa calculations, reparameterization of the PCM solvation model, evaluation of electronic transitions and development of force fields for classical molecular dynamics simulations. Since 2007 KS has been actively working on Molecular Dynamics simulations of many chemical and thermophysical aspects of pure Ionic Liquids (IL) and other condensed phases, IL in mixtures, IL in solutions, liquid-liquid and solid-liquid interfaces. Her research interests are the structure and properties of ILs and other concentrated solutions.
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Identification

Personal identification

Full name
Karina Shimizu

Citation names

  • Shimizu, Karina
  • Shimizu, K

Author identifiers

Ciência ID
F61E-9650-393D
ORCID iD
0000-0003-2454-1795
Researcher Id
B-4668-2009
Scopus Author Id
23571223600

Knowledge fields

  • Exact Sciences - Chemical Sciences

Languages

Language Speaking Reading Writing Listening Peer-review
English Advanced (C1) Advanced (C1) Advanced (C1) Advanced (C1)
Portuguese Advanced (C1) Advanced (C1) Advanced (C1) Advanced (C1)
Education
Degree Classification
2005/12/15
Concluded
 Physical Chemistry (Doctor)
Universidade de São Paulo Instituto de Química, Brazil
"Estudo Do Método De Equalização Da Eletronegatividade No Cálculo De Energias Livres De Solvatação GBEEM-ELR" (THESIS/DISSERTATION)
 Aprovada por unanimidade
2001
Concluded
 Physical Chemistry (Master)
Universidade de São Paulo Instituto de Química, Brazil
"Cálculos de Solvatação de Reagentes, Intermediários e Complexos Ativados de Reações de Hidrólise" (THESIS/DISSERTATION)
 Aprovada por unanimidade
1999
Concluded
 Chemistry (Bachelor)
Universidade de São Paulo Instituto de Química, Brazil
"n/a" (THESIS/DISSERTATION)
 Aprovada
Affiliation

Science

Category
Host institution 		Employer
2018/11/01 - Current Contracted Researcher (Research) Universidade de Lisboa Instituto Superior Técnico, Portugal
2016/02 - 2016/02 Visiting Researcher (Research) University of York Department of Chemistry, United Kingdom
2014/12 - 2014/12 Visiting Researcher (Research) University of York Department of Chemistry, United Kingdom
2007/09/01 - 2007/10/31 Visiting Researcher (Research) Université Clermont Auvergne, France

Teaching in Higher Education

Category
Host institution 		Employer
2023/02/14 - Current Invited Assistant Professor (University Teacher) Universidade de Lisboa Instituto Superior Técnico, Portugal
2020/02 - 2020/08/31 Invited Assistant Professor (University Teacher) Universidade de Lisboa Instituto Superior Técnico, Portugal

Others

Category
Host institution 		Employer
2006/11/20 - 2018/10/31 Post-Doc Universidade de Lisboa Instituto Superior Técnico, Portugal
2005/12/19 - 2006/10/31 Post-Doc Universidade de São Paulo Instituto de Química, Brazil
2001/09/03 - 2005/12/15 PhD Universidade de São Paulo Instituto de Química, Brazil
1999/04/01 - 2001/08/31 MSc Universidade de São Paulo Instituto de Química, Brazil
Projects

Grant

Designation Funders
2024/03/01 - Current Carbon Neutral Milk
10115864
Researcher
Horizon 2020
Ongoing

Contract

Designation Funders
2024/11/01 - Current Task-Specific Ionic Liquids for Societal Challenges: Air Treatment
2023.09286.CEECIND
Principal investigator
Fundação para a Ciência e a Tecnologia
Ongoing
2023/07/01 - 2024/02/29 Nanostructure of Ionic Liquid-Based Micelles by Molecular Dynamics Simulations
2023.09623.CPCA.A1
Principal investigator
Universidade de Lisboa Centro de Química Estrutural, Portugal

Universidade de Lisboa Instituto Superior Técnico, Portugal
Fundação para a Ciência e a Tecnologia
Ongoing
2022/08/01 - 2023/01/31 Molecular Dynamics Simulations of Ionic Liquids Near Interfaces
CPCA/A1/470169/2021
Co-Principal Investigator (Co-PI)
Universidade de Lisboa Centro de Química Estrutural, Portugal

Universidade de Lisboa Instituto Superior Técnico, Portugal
Fundação para a Ciência e a Tecnologia
Concluded
2018/10/01 - 2022/09/30 Ionic Liquids Nanostructures: from Fundamentals to Applications
PTDC/QUI-QFI/29527/2017
Principal investigator
Universidade de Lisboa Centro de Química Estrutural, Portugal

Universidade de Lisboa Instituto Superior Técnico, Portugal
Fundação para a Ciência e a Tecnologia
Concluded
2018/07/01 - 2022/06/30 Sustainable Transportation Systems: Energy Harvesting and Storage using Ionic Liquids
Lisboa/01/0145/FEDER/028367
Co-Principal Investigator (Co-PI)
Universidade de Lisboa Centro de Química Estrutural, Portugal

Universidade de Lisboa Instituto Superior Técnico, Portugal
Fundação para a Ciência e a Tecnologia
Concluded
2016/01 - 2018/12 Design of Fluorinated Ionic Liquids as novel task-specific fluids
Provided by PTCRIS: 144479
Lead Investigator in the Particiopant Institution
Universidade de Lisboa Centro de Química Estrutural, Portugal

Universidade de Lisboa Instituto Superior Técnico, Portugal
Fundação para a Ciência e a Tecnologia
Concluded
2013/04 - 2016/09 Carbon Nanomaterials and Ionic Liquids; From fundamentals to sustainable technology applications.
Provided by PTCRIS: 124806
 Fundação para a Ciência e a Tecnologia
2010/01 - 2012/12 Molecular Modeling of Ionic Liquids: from Structure to Thermodynamics.
Provided by PTCRIS: 101794
 Fundação para a Ciência e a Tecnologia
2005 - 2009 Estudo das propriedades físico-químicas de líquidos iónicos com hidrocarbonetos derivados do petróleo
Programa Pessoa ICCTI/CNRS
 ICCTI/CNRS
2007/01 - 2008/12 Thermodynamical and Structural Characterization of Ionic Liquids and other Associated Fluids
Provided by PTCRIS: 82393
 Fundação para a Ciência e a Tecnologia
2005/09 - 2007/08 Thermodynamical and Structural Characterization of Ionic Liquids and other Associated Fluids
Provided by PTCRIS: 57716
 Fundação para a Ciência e a Tecnologia
2003 - 2007 Molecular Modeling of New Fluids with Technological Applications
Programa PICS GRICES/CNRS
 GRICES/CNRS
Outputs

Publications

Book
  1. Tariq, M.; Shimizu, K.; Canongia Lopes, J.N.; Saramago, B.; Rebelo, L.P.N.. Ionic liquids in bulk and at an interface: Self-aggregation, interfacial tension, and adsorption. 2015.
    10.1002/9781118854501.ch5
Conference paper
  1. Maria, C; Barros, J; Xavier, N; Shimizu, Karina; Freitas, Adilson A.; Ferreira, M J; Schino, I; et al. "Synthesis of New Purine Nucleosides as potential Metal Chelators and Anticholinesterase Agents". Paper presented in The 8th International Electronic Conference on Medicinal Chemistry, 2022.
    Published
Conference poster
  1. Freitas, Adilson A.; Shimizu, Karina; Canongia Lopes, JN. "Diffusion of Lithium Cations in Concentraded Sulfolane-Based Liquid Electrolytes". Paper presented in 9th Congress in Ionic Liquids (COIL-9), 2023.
  2. Marques, H; Freitas, Adilson A.; Canongia Lopes, JN; Shimizu, Karina. Corresponding author: Shimizu, Karina. "Solubility of Greenhouse Gases in Ionic Liquids". Paper presented in 9th Congress in Ionic Liquids (COIL-9), 2023.
  3. Morandeira, Lois; Sanromán, M.A.; Freitas, Adilson A.; Canongia Lopes, JN; Shimizu, Karina. "Aggregation Behavior of Aqueous Mixtures of Biocompatible Choline Amino Acid Ionic Liquids". Paper presented in 9th Congress in Ionic Liquids (COIL-9), 2023.
  4. Afonso, J N D; Freitas, Adilson A.; Canongia Lopes, JN; Shimizu, Karina. Corresponding author: Shimizu, Karina. "The Influence of Metal-Organic Frameworks in the Structure of Ionic Liquids Near the Interface". Paper presented in 9th Congress in Ionic Liquids (COIL-9), 2023.
  5. Maria C; Barros J; Xavier N M; Shimizu, Karina; Freitas, Adilson A.; Ferreira M J; Oliveira M C; et al. "Synthesis of New Purine Nucleosides as Copper Chelators and Cholinesterase Inhibitors". Paper presented in 14th National Organic Chemistry Meeting, 2022.
  6. Marques H; Canongia Lopes, JN; Freitas, Adilson A.; Shimizu, Karina. "Nanostructure in 1-Alkyl-3-Methylimidazolium Cations Octyl-Sulfonate Ionic Liquid Homologous Series". Paper presented in 4th edition of the CQE Days, on May 26th and 27th, 2022.
  7. Morandeira, Lois; Sanromán, M.A.; Freitas, Adilson A.; Canongia Lopes, JN; Shimizu, Karina. "Initial Studies on Novel Biocompatible Solvents: ChPep From a Molecular Dynamics Perspective,". Paper presented in 4th edition of the CQE Days, on May 26th and 27th, 2022.
  8. Maria, C; Barros, J; Xavier, N M; Shimizu, Karina; Freitas, Adilson A.; Ferreira, M J; Oliveira, M C; et al. "Synthesis of Purine Nucleosides, Copper Chelation and Anticholineterase Activity". Paper presented in 30th International Carbohydrate Symposium (ICS2022), 2022.
  9. Marques, H; Canongia Lopes, JN; Freitas, Adilson A.; Shimizu, Karina. "Nanostructure in 1-Alkyl-3-Methylimidazolium Cations Combined with Alkyl-Sulfonate Anions Homologous Series". Paper presented in 8th EuChemS Chemistry Congress, 2022.
  10. Morandeira, Lois; Sanromán, M.A.; Freitas, Adilson A.; Canongia Lopes, JN; Shimizu, Karina. "A Molecular Dynamics Approach For Unveiling the Nanosegregation of Novel Biocompatible ILs and Their Aqueous Solutions". Paper presented in 8th EuChemS Chemistry Congress, 2022.
  11. Maria, C; Barros, J; Xavier, N M; Shimizu, Karina; Freitas, Adilson A.; Ferreira, M J; Schino, I; et al. "Synthesis of New Purine Nucleosides as Potential Metal Chelators and Anticholinesterase Agents". Paper presented in 8th International Electronic Conference on Medicinal Chemistry (ECMC 2022), 2022.
  12. Shimizu, Karina; Freitas, Adilson A.; Hisamitsu, S.; Yanai, N.; Kimizuka, N.; Canongia Lopes, Jose Nuno. "Ionic Liquids In Triplet-Triplet Annihilation". Paper presented in 5. International Conference on Ionic Liquid-based Materials (ILMAT V), 2019.
  13. Freitas, Adilson A.; Shimizu, Karina; Esperança, J.M.S.S.; Rebelo, L.P.N.; Canongia Lopes, Jose Nuno. "Negative Pressure Regimes in Ionic Liquids". Paper presented in 5. International Conference on Ionic Liquid-based Materials (ILMAT V), 2019.
  14. Freitas, Adilson A.; Shimizu, Karina; Esperança, J.M.S.S.; Rebelo, L.P.N.; Canongia Lopes, Jose Nuno. "Negative Pressure Regimes in Ionic Liquids Studied by Molecular Dynamics Simulations". Paper presented in The 8th International Congress on Ionic Liquids (COIL-8), 2019.
  15. Shimizu, Karina; Freitas, Adilson A.; Hisamitsu, S.; Yanai, N.; Kimizuka, N.. Corresponding author: Shimizu, Karina. "Modelling Photon Harvesting on Ionic Liquids Systems". Paper presented in The 8th International Congress on Ionic Liquids (COIL-8), 2019.
  16. Shimizu, Karina; Canongia Lopes, Jose Nuno. "Molecular dynamics studies of aromatic and alifatic moieties in charge-inverted ionic liquids.". Paper presented in EMLG/JMLG Annual Meeting 2018 and 41st Symposium on Solution Chemistry of Japan, 2018.
  17. Freitas, Adilson A.; Shimizu, Karina; Canongia Lopes, Jose Nuno. "Air-water interface evolution in mixtures of ionic liquids and cationic surfactants investigated by molecular dynamics simulations.". Paper presented in EMLG/JMLG Annual Meeting 2018 and 41st Symposium on Solution Chemistry of Japan, 2018.
  18. Shimizu, Karina; Freitas, Adilson A.; Gonçalves Da Silva, A.M.P.S.; Canongia Lopes, Jose Nuno. "Interaction Between Ionic Liquids and Cationic Surfactants at the Water-Air Interface.". Paper presented in 27th EuCheMS Conference on Molten Salts and Ionic Liquids, EuCheMSIL 2018, 2018.
  19. Freitas, Adilson A.; Shimizu, Karina; Gonçalves Da Silva, A.M.P.S.; Canongia Lopes, Jose Nuno. "Behavior of Ionic Liquid and Cationic Surfactant mixtures at the Water-Air Interface.". Paper presented in Gordon Research Conference on Ionic Liquids, 2018.
  20. Shimizu, Karina; Canongia Lopes, Jose Nuno. "Inverted-Ionic liquid: tetra-alkyl ammonium versus tetra-alkyl borate.". Paper presented in Gordon Research Conference on Ionic Liquids, 2018.
  21. Thum, A.; Shimizu, Karina; Diddens, D.; Canongia Lopes, Jose Nuno; Heuer, A.. "Transport and Li+ coordination in lithium bis(trifluoromethanesulfonyl)imide – glyme solvate ionic liquids from molecular dynamics simulations.". Paper presented in 27th EuCheMS Conference on Molten Salts and Ionic Liquids, EuCheMSIL, 2018.
  22. Subbiah, S.; Esperança, J.M.S.S.; Canongia Lopes, Jose Nuno; Shimizu, Karina; Afonso, C.A.M.; Rebelo, L.P.N.. "Halogen-Bonds versus Hydrogen-Bonds in Ionic Liquids.". Paper presented in 27th EuCheMS Conference on Molten Salts and Ionic Liquids, EuCheMSIL 2018, 2018.
  23. Lobo Ferreira, A.I.M.C.; Shimizu, Karina; Reis, P.M.; Pereiro, Ana B.; Canongia Lopes, Jose Nuno; Rebelo, L.P.N.; Santos, L.M.N.B.. "Strengthening the Fluorinated Arms of Bistriflimide-derived Anions: Vaporization Studies.". Paper presented in 27th EuCheMS Conference on Molten Salts and Ionic Liquids, EuCheMSIL 2018, 2018.
  24. Lobo Ferreira, A.I.M.C.; Shimizu, Karina; Pereiro, Ana B.; Canongia Lopes, Jose Nuno; Rebelo, L.P.N.; Santos, L.M.N.B.. "Increasing the Tail of Perfluoro-sulfonate Anions: Trends in Vaporization Properties.". Paper presented in 27th EuCheMS Conference on Molten Salts and Ionic Liquids, EuCheMSIL 2018, 2018.
  25. Sintra, T.E.; Shimizu, Karina; Ventura, S.P.M.; Shimizu, S.; Canongia Lopes, Jose Nuno; Santos, L.M.N.B.. "Enhanced solubilization of hydrophobic drugs using ionic liquids as hydrotropes.". Paper presented in 27th EuCheMS Conference on Molten Salts and Ionic Liquids, EuCheMSIL 2018, 2018.
  26. Shimizu, Karina; Freitas, Adilson A.; Bruce, D.W.; Slattery, J.M.; Canongia Lopes, Jose Nuno. "Ionic Liquids as Reaction Media and as a Solvent Studied by Molecular Dynamics Simulation.". Paper presented in 3rd EuCheMS Congress on Green and Sustainable Chemistry, 2017.
  27. Shimizu, Karina; Freitas, Adilson A.; Cabry, C.P.; Bruce, D.W.; Slattery, J.M.; Canongia Lopes, Jose Nuno. "Nanosegregation and Structuring of Ionic Liquids and Their Mixtures Probed by Molecular Dynamics Simulation.". Paper presented in 3rd EuCheMS Congress on Green and Sustainable Chemistry, 2017.
  28. Freitas, Adilson A.; Shimizu, Karina; Canongia Lopes, Jose Nuno. "Molecular Dynamics Study of a Nanoconfined Pyrrolidinium-Based Ionic Liquid.". Paper presented in Thermodynamics 2017, 2017.
  29. Freitas, Adilson A.; Shimizu, Karina; Canongia Lopes, Jose Nuno. "Effect of Water on Nanoconfinement of Ionic Liquids Studied by Molecular Dynamics Simulations.". Paper presented in Ionic Liquids: From Fundamental Properties to Practical Applications - Faraday Discussion, 2017.
  30. Shimizu, Karina; Freitas, Adilson A.; Canongia Lopes, Jose Nuno. "A Short Overview of the Interface of Ionic Liquids.". Paper presented in Ionic Liquids: From Fundamental Properties to Practical Applications - Faraday Discussion, 2017.
  31. Shimizu, Karina; Freitas, Adilson A.; Hisamitsu, Shota; Yanai, Nobuhiro; Kimizuka, Nobuo; Canongia Lopes, JN. Corresponding author: Shimizu, Karina. "Modeling of Triplet-Triplet Annihilation on Ionic Liquid Systems". Paper presented in 28th International Conference on Photochemistry, 2017.
  32. Shimizu, Karina; Freitas, Adilson A.; Canongia Lopes, Jose Nuno. Corresponding author: Shimizu, Karina. "Complex Properties Of Ionic Liquids Probed By Molecular Dynamics.". Paper presented in 26th EUCHEM Conference on Molten Salts and Ionic Liquids - EUCHEM 2016, 2016.
  33. Shimizu, Karina; Freitas, Adilson A.; Hisamitsu, S.; Yanai, N.; Kimizuka, N.; Canongia Lopes, Jose Nuno. "Ionic Liquids In Photon Harvesting.". Paper presented in The 26th IUPAC Symposium on Photochemistry, 2016.
  34. Freitas, Adilson A.; Shimizu, Karina; Maçanita, A.L.; Quina, F.H.. "Classical Matrix Method Coupled to Laplace Transforms as a Tool For Analysis of Complex Multiexponential Fluorescence Decays.". Paper presented in he 26th IUPAC Symposium on Photochemistry, 2016.
  35. Shimizu, Karina; Freitas, Adilson A.; Canongia Lopes, Jose Nuno. "The nano-scale segregation of ionic liquids probed by molecular dynamics simulation.". Paper presented in Molten Salts Discussion Group, MSDG Christmas 2016 Research Meeting, 2016.
  36. Shimizu, Karina; Freitas, Adilson A.; Canongia Lopes, JN. Corresponding author: Shimizu, Karina. "Properties of Ionic Liquids Studied by Molecular Dynamics". Paper presented in XII Encontro Nacional de Química-Física, 2016.
  37. Shimizu, Karina; Canongia Lopes, Jose Nuno. "The effect of the cation alkyl chain branching on the mutual solubilities with water, n-butane and isobutane.". Paper presented in 41st Conference on Phase Equilibria - XLIèmes Journées d’Étude des Équilibres entre Phases, 2015.
  38. Mão de Ferro, A.; Reis, P.M.; Costa, A.J.L.; Bernardes, Carlos; Shimizu, Karina; Canongia Lopes, Jose Nuno; Esperança, J.M.S.S.; Rebelo, L.P.N.. "Understanding The Interactions Between Ammonium-Based Bistriflamide Ionic Liquids and Molecular Solvents.". Paper presented in 41st Conference on Phase Equilibria - XLIèmes Journées d’Étude des Équilibres entre Phases, 2015.
  39. Vieira, N.S.M.; Reis, P.M.; Araújo, J.M.M.; Shimizu, Karina; Canongia Lopes, Jose Nuno; Esperança, J.M.S.S.; Pereiro, Ana B.; Rebelo, L.P.N.. "Fluorinated Ionic Liquids: Thermophysical Characterization and Partition Properties.". Paper presented in 41st Conference on Phase Equilibria - XLIèmes Journées d’Étude des Équilibres entre Phases, 2015.
  40. D'Andrea, L.; Bruce, D.W.; Cabry, C.P.; Slattery, J.M.; Costen, M.L.; McKendrick, K.G.; Purcell, S.M.; et al. "Investigating the surface and bulk-phase structure of binary ionic liquid mixtures.". Paper presented in 6th International Congress on Ionic Liquids (COIL-6), 2015.
  41. Ferreira Da Silva, J.L.; Shimizu, Karina; Duarte, M.T.. "Back to the Future: applying 2000’s interactions to explain supramolecular arrangements in 1950’s compounds.". Paper presented in 29Th European Crystallographic Meeting, 2015.
  42. Vieira, N.S.M.; Reis, P.M.; Araújo, J.M.M.; Shimizu, Karina; Canongia Lopes, Jose Nuno; Esperança, J.M.S.S.; Pereiro, Ana B.; Rebelo, L.P.N.. "Fluorinated Ionic Liquids: Thermal and Thermophysical Properties.". Paper presented in 19º Symposium On Thermophysical Properties, 2015.
  43. Shimizu, Karina; Freitas, Adilson A.; Bernardes, Carlos; SILVA PEREIRA, CRISTINA; Hartmann, D.O.; Canongia Lopes, Jose Nuno. "The Complex Structure of Ionic Liquids Probed by Molecular Dynamics Simulation.". Paper presented in 19º Symposium On Thermophysical Properties, 2015.
  44. Mão de Ferro, A.; Reis, P.M.; Costa, A.J.L.; Bernardes, Carlos; Shimizu, Karina; Canongia Lopes, Jose Nuno; Esperança, J.M.S.S.; Rebelo, L.P.N.. "Thermophysical and Transport Properties of Ammonium-Based Bistriflamide Ionic Liquids and Their Interactions with Molecular Solvents.". Paper presented in 19º Symposium On Thermophysical Properties, 2015.
  45. Ruivo, D.; Deive, F.J.; Moscoso, F.; Shimizu, Karina; Rodrigues, J.V.; Gomes, C.M.; Sanromán, M.A.; et al. "Increasing Lypase Activity Using Ionic Liquids.". Paper presented in Iberoamerican Meeting on Ionic Liquids- IMIL 2015, 2015.
  46. Vieira, N.S.M.; Reis, P.M.; Araújo, J.M.M.; Shimizu, Karina; Canongia Lopes, Jose Nuno; Esperança, J.M.S.S.; Pereiro, Ana B.; Rebelo, L.P.N.. "Characterization of Fluorinated Ionic Liquids: A New Family of ILs.". Paper presented in Iberoamerican Meeting on Ionic Liquids- IMIL 2015, 2015.
  47. Shimizu, Karina; Canongia Lopes, Jose Nuno. "Oligoethers + LiNtf2 Mixtures: Solvated ionic liquids?". Paper presented in CECAM Workshop, Multiscale modelling of ionic liquids: from quantum methods to coarse-grained models, 2014.
  48. Mão de Ferro, A.; Reis, P.M.; Costa, A.J.L.; Papis, P.; Shimizu, Karina; Szydlowski, J.; Canongia Lopes, Jose Nuno; Esperança, J.M.S.S.; Rebelo, L.P.N.. "Liquid-Liquid Equilibria Of Ammonium-Based Bistriflamide Ionic Liquids With Different Molecular Solvents.". Paper presented in EUCHEM2014, 2014.
  49. Mão de Ferro, A.; Reis, P.M.; Bernardes, Carlos; Shimizu, Karina; Canongia Lopes, Jose Nuno; Esperança, J.M.S.S.; Rebelo, L.P.N.. "Thermophysical And Thermodynamic Characterization Of Ammonium-Based Bistriflamide Ionic Liquids.". Paper presented in EUCHEM2014, 2014.
  50. Ruivo, D.; Deive, F.J.; Moscoso, F.; Shimizu, Karina; Rodrigues, J.V.; Gomes, C.M.; Sanromán, M.A.; et al. "On The Increase Of Lipases Activity Using Hydrophilic Ionic Liquids.". Paper presented in EUCHEM2014, 2014.
  51. Shimizu, Karina; Canongia Lopes, Jose Nuno. "Oligoethers + LiNtf2 Misxtures: Solvated ionic liquids?". Paper presented in 248th ACS National Meeting, 2014.
  52. Shimizu, Karina; Canongia Lopes, Jose Nuno. "Oligoethers + LiNtf2 Misxtures: Solvated ionic liquids?". Paper presented in Scs-Mix Session, 248th ACS National Meeting, 2014.
  53. Shimizu, Karina; Freitas, Adilson A.; Bernardes, Carlos; Canongia Lopes, Jose Nuno. "Complex Structure of Ionic Liquids. Molecular Dynamics Studies with Different Cation-Anion Combinations.". Paper presented in 20th European Conference on the Thermophysical Properties (ECTP), 2014.
  54. Morgado, P.; Shimizu, Karina; Lobo Ferreira, A.I.M.C.; Santos, L.M.N.B.; Canongia Lopes, Jose Nuno; Coutinho, Joao A. P.; Filipe, E.J.M.. "Probing the Structure of Ionic (and Non Ionic) Liquids with 129Xe NMR Spectroscopy.". Paper presented in 20th European Conference on the Thermophysical Properties (ECTP), 2014.
  55. Almeida, H.F.D.; Freire, M.G.; Fernandes, A.M.; Lopes-Da-Silva, J.A.; Morgado, P.; Shimizu, Karina; Filipe, E.J.M.. "Cation symmetry effect on the surface tension of bis[(trifluoromethyl)sulfonyl]imide-based ionic liquids.". Paper presented in 20th European Conference on the Thermophysical Properties (ECTP), 2014.
  56. Mão de Ferro, A.; Reis, P.M.; Bernardes, Carlos; Shimizu, Karina; Canongia Lopes, Jose Nuno; Esperança, J.M.S.S.; Rebelo, L.P.N.. "Thermophysical and transport properties of ammonium-based bistriflamide ionic liquids.". Paper presented in 20th European Conference on the Thermophysical Properties (ECTP), 2014.
  57. Freire, M.G.; Neves, C.M.S.S.; Schröder, B.; Shimizu, Karina; Santos, L.M.N.B.; Coutinho, Joao A. P.; Marrucho, I.M.; Rebelo, L.P.N.; Canongia Lopes, Jose Nuno. "Binary mixtures of ionic liquids in aqueous solution: toward an understanding of their salting-in/salting-out phenomena.". Paper presented in 5th International Congress on Ionic Liquids (COIL-5), 2013.
  58. Costa, A.J.L.; Soromenho, M.R.C.; Shimizu, Karina; Canongia Lopes, Jose Nuno; Esperança, J.M.S.S.; Rebelo, L.P.N.. "Unusual LCST-type behaviour in mixtures of cholinium-based ionic liquids with ethers.". Paper presented in 5th International Congress on Ionic Liquids (COIL-5), 2013.
  59. Bernardes, Carlos; Shimizu, Karina; Canongia Lopes, Jose Nuno. "New insights on the structural shifts in the [Cnmim][Ntf2] ionic liquids series using static structure functions and aggregate analysis.". Paper presented in 5th International Congress on Ionic Liquids (COIL-5), 2013.
  60. Morgado, P.; Shimizu, Karina; Esperança, J.M.S.S.; Filipe, E.J.M.; Canongia Lopes, Jose Nuno. "Probing structure and nano-segregation in RTILs - 129Xe NMR and MD simulations.". Paper presented in 5th International Congress on Ionic Liquids (COIL-5), 2013.
  61. Shimizu, Karina; Bernardes, Carlos; Santos, L.M.N.B.; Canongia Lopes, Jose Nuno. "One or two side chains: the nano-structures of di-alkyl and mono-alkyl bistriflamide ionic liquids.". Paper presented in 5th International Congress on Ionic Liquids (COIL-5), 2013.
  62. Pereiro, Ana B.; Pastoriza-Gallego, M.J.; Shimizu, Karina; Marrucho, I.M.; Canongia Lopes, Jose Nuno; Piñeiro, M.M.; Rebelo, L.P.N.. "A comparative study of the solid-fluid transitions of HMIm (PFBu)SO3 and NB4 (PFBu)SO3: new fluorinated domain.". Paper presented in 5th International Congress on Ionic Liquids (COIL-5), 2013.
  63. Costa, A.J.L.; Papis, P.; Reis, P.M.; Shimizu, Karina; Szydlowski, J.; Canongia Lopes, Jose Nuno; Esperança, J.M.S.S.; Rebelo, L.P.N.. "Hydrogen bonding influence on the phase behaviour of mixtures of ionic liquids and molecular solvents.". Paper presented in 5th International Congress on Ionic Liquids (COIL-5), 2013.
  64. Costa, A.J.L.; Soromenho, M.R.C.; Shimizu, Karina; Canongia Lopes, Jose Nuno; Esperança, J.M.S.S.; Rebelo, L.P.N.. "Phase behaviour of cholinium-based bistriflimide ionic liquids + alcohols.". Paper presented in 5th International Congress on Ionic Liquids (COIL-5), 2013.
  65. Shimizu, Karina; Canongia Lopes, Jose Nuno. "Tetra-alkylammonium-based ionic liquids: from structure to solubility.". Paper presented in EUCHEM 2012, 2012.
  66. Costa, A.J.L.; Soromenho, M.R.C.; Shimizu, Karina; Esperança, J.M.S.S.; Canongia Lopes, Jose Nuno; Rebelo, L.P.N.. "Synthesis And Thermophysical Characterization Of Cholinium-Based Ionic Liquids With Acetate And Metilsulfonate Anions.". Paper presented in EUCHEM 2012, 2012.
  67. Costa, A.J.L.; Soromenho, M.R.C.; Shimizu, Karina; Marrucho, I.M.; Canongia Lopes, Jose Nuno; Esperança, J.M.S.S.; Rebelo, L.P.N.. "Liquid-Liquid Equilibria Of Cholinium-Derived Bistriflamide Ionic Liquids/Alcohols Mixtures.". Paper presented in EUCHEM 2012, 2012.
  68. Costa, A.J.L.; Soromenho, M.R.C.; Shimizu, Karina; Esperança, J.M.S.S.; Canongia Lopes, Jose Nuno; Rebelo, L.P.N.. "LCST Phase Behavior In Cholinium Based Ionic Liquid/Ether Systems". Paper presented in EUCHEM 2012, 2012.
  69. Costa, A.J.L.; Soromenho, M.R.C.; Shimizu, Karina; Esperança, J.M.S.S.; Canongia Lopes, Jose Nuno; Rebelo, L.P.N.. "Cholinium-Based Ionic Liquids with Acetate and Metilsulfonate Anions: Synthesis and Thermophysical Characterization.". Paper presented in 18º Symposium On Thermophysical Properties, 2012.
  70. Costa, A.J.L.; Soromenho, M.R.C.; Shimizu, Karina; Canongia Lopes, Jose Nuno; Marrucho, I.M.; Esperança, J.M.S.S.; Rebelo, L.P.N.. "Phase Diagrams of Alcohols and Cholinium-Derived Bistriflamide Ionic Liquid Mixtures.". Paper presented in 18º Symposium On Thermophysical Properties, 2012.
  71. Shimizu, Karina; Bernardes, Carlos; Freire, M.G.; Marrucho, I.M.; Coutinho, Joao A. P.; Rebelo, L.P.N.; Canongia Lopes, Jose Nuno. "Salting-In/Salting-Out Phenomena in Ionic Liquids: Molecular Dynamics Studies.". Paper presented in 4th International Congress on Ionic Liquids (COIL-4), 2011.
  72. Köhler, R.; Restolho, J.; Krastev, R.; Shimizu, Karina; Canongia Lopes, Jose Nuno; Saramago, B.. "Liquid or Solid-Like Behavior of [omim][BF4] at a Solid Interface?". Paper presented in 4th International Congress on Ionic Liquids (COIL-4), 2011.
  73. Shimizu, Karina; Araújo, J.M.M.; Costa, A.I.L.; Marrucho, I.M.; Rebelo, L.P.N.; Canongia Lopes, Jose Nuno. "Cohesive Energy of Ionic Liquids: Evaluation of the Dispersive and Electrostatic Components through Molecular Dynamics Simulations and Molar Refraction Data.". Paper presented in Molten Salts Discussion Group 2011 Summer Research Meeting, 2011.
  74. Freire, M.G.; Neves, C.M.S.S.; Shimizu, Karina; Bernardes, Carlos; Marrucho, I.M.; Coutinho, Joao A. P.; Canongia Lopes, Jose Nuno; Rebelo, L.P.N.. "Liquid-liquid Equilibria between Water and Selective Isomers of Pyridinium-based Ionic Liquids.". Paper presented in EUCHEM Conference on Molten Salts and Ionic Liquids, 2010.
  75. Freire, M.G.; Neves, C.M.S.S.; Shimizu, Karina; Bernardes, Carlos; Marrucho, I.M.; Coutinho, Joao A. P.; Canongia Lopes, Jose Nuno; Rebelo, L.P.N.. "Liquid-liquid Equilibria Between Water and Selective Isomers of Pyridinium-based Ionic Liquids.". Paper presented in 239th ACS National Meeting – Symposium on the Physical Chemistry of Ionic Liquids, 2010.
  76. Shimizu, Karina; Pádua, A.A.H.; Rebelo, L.P.N.; Canongia Lopes, Jose Nuno. "Molecular Dynamics Simulation of the Interface Between the Ionic Liquid Hidroxyethylimidazolium Tetrafluoroborate and a Glass Surface.". Paper presented in Molten Salts Discussion Group 2010 Summer Research Meeting, 2010.
  77. Rodrigues, R.F.; Silva, P.F; Shimizu, Karina; Freitas, Adilson A.; Kovalenko, S.; Enrsting, N.; Quina, F.H.; Maçanita, A.L.. "Ultrafast Internal Conversion in a Model Anthocyanin-Polyphenol Complex.". Paper presented in XXIInd IUPAC Symposium on Photochemistry, 2008.
  78. Shimizu, Karina; Umebayashi, Y.; Fujii, K.; Pádua, A.A.H.; Canongia Lopes, Jose Nuno. "The potential energy landscape of bis(fluorosulfonyl)amide.". Paper presented in 236th ACS National Meeting, 2008.
  79. Fujii, K.; Fukuda, S.; Shimizu, Karina; Pádua, A.A.H.; Canongia Lopes, Jose Nuno; Seki, S.; Umebayashi, Y.; Ishiguro, S.-I.. "Liquid Structure of Low-viscosity Ionic Liquid, 1-Ethyl-3-methylimidazolium Bis(fluorosulfonyl) Amide.". Paper presented in EMLG/JMLG 2008 Annual Meeting, 2008.
  80. Shimizu, Karina; Pádua, A.A.H.; Umebayashi, Y.; Fukuda, S.; Fujii, K.; Ishiguro, S.-I.; Canongia Lopes, Jose Nuno. "The potential energy landscape of bis(fluorosulfonyl)amide.". Paper presented in EMLG/JMLG 2008 Annual Meeting, 2008.
  81. Dias, L.G.; Freitas, Adilson A.; Shimizu, Karina; Demets, G.J.-F. "Estudo de Cucurbiturila e seus Complexos de Metais Alcalinos por Primeiros Princípios.". Paper presented in Autoorg - Encontro Sobre Estruturas Auto-organizadas em Soluções e Interfaces, 2008.
  82. Quina, F.H.; Freitas, Adilson A.; Shimizu, Karina; Rettori, D.; Vautier-Giongo, C.; Miyamoto, S.; Maçanita, A.L.. "Photosensitized Generation of Singlet Oxygen by the Synthetic Anthocyanin 7-Methoxy-4-methyl-flavylium Chloride (MMF).". Paper presented in XXIII International Conference on Photochemisty, 2007.
  83. Freitas, Adilson A.; Shimizu, Karina; Dias, L.G.; Quina, F.H.. "Computational Study of Substituted Flavylium Salts and their Quinonoidal Conjugate-Bases: Electronic Transition Calculations by Semiempirical, ab initio and DFT Methods.". Paper presented in 17th Inter-American Photochemical Society Conference, 2006.
  84. Freitas, Adilson A.; Shimizu, Karina; Dias, L.G.; Maçanita, A.L.; Quina, F.H.. "Ground and Excited State Species of a Flavylium Salt: 4-carboxy-7-hydroxy-4 -methoxyflavylium chloride (CHMF).". Paper presented in 17th Inter-American Photochemical Society Conference, 2006.
  85. Rettori, D.; Shimizu, Karina; Freitas, Adilson A.; Silva, V.O.; Maçanita, A.L.; Quina, F.H.; Vautier-Giongo, C.. "Insights into the Mechanism of Protocatechuic Acid Photooxidation Mediated by the Excited-State of the Synthetic Flavylium Salt MMF.". Paper presented in 17th Inter-American Photochemical Society Conference, 2006.
  86. Shimizu, Karina; Freitas, Adilson A.; Maçanita, A.L.; Quina, F.H.; Rettori, D.; Vautier-Giongo, C.. "Identidade de Radicais Formados Pelo Estado Excitado do Flavílio Sintético MMF em Presença de Ácido Protocatecúico.". Paper presented in 29a Reunião Anual da Sociedade Brasileira de Química, 2006.
  87. Paulo, L.; Freitas, Adilson A.; Shimizu, Karina; Quina, F.H.; Maçanita, A.L.. "Novel Ground and Excited State Prototropic Reactivity of a Hydroxycarboxyflavylium Salt.". Paper presented in 9th International Conference on Methods and Applications of Fluorescence Spectroscopy, Imaging and Probes, 2005.
  88. Carpentieri, V. M.; Shimizu, Karina; Dourado, A.G.; Sório, C.S.N.M.; Farah, J.P.S.. "Estudo da solvatação de solutos neutros em misturas solvente orgânico/água e soluções aquosas de micelas.". Paper presented in 27ª Reunião Anual da Sociedade Brasileira de Química, 2004.
  89. Shimizu, Karina; Dias, L.G.; Farah, J.P.S.. "Semiempirical pKa Predictions of m-Substituted Benzoic Acids in Acetonitrile-Water Mixtures.". Paper presented in 7ª Conferência Latinoamericana de Físico-Química Orgânica, 2003.
  90. Shimizu, Karina; Sório, C.S.N.M.; Dourado, A.G.; Carmo, A.; Monteiro, V.P.; Farah, J.P.S.. "Análise de Grupos em Estudos de Partição de Solutos Neutros em Sistemas Bifásicos e Soluções Micelares por LSER e Redes Neurais Artificiais.". Paper presented in Simpósio Química e Meio Ambiente, 2002.
  91. Menegon, G.; Dias, L.G.; Farah, J.P.S.; Shimizu, Karina. "Reparameterization Of A Simple And Fast Atomic Charge Model.". Paper presented in Encontro Satélite ao Congresso Internacional de Biofísica promovido pela IUPAB (Workshop On Molecular Modeling In Biophysics Methods And Aplications), 2002.
  92. Shimizu, Karina; Sório, C.S.N.M.; Dourado, A.G.; Monteiro, V.P.; Farah, J.P.S.. "Cluster Analysis of LSER and Neural Net Residuals in Two-Phase Systems Partitions and Micellar Solubilization of Neutral Molecules.". Paper presented in 3rd Workshop on Chemical Structure and Biological Activity: Perspectives in QSAR, 2001.
  93. Shimizu, Karina; Ishii, J.T; Farah, J.P.S.. "Solvation energy calculations on solvent mixtures.". Paper presented in 11 Simpósio Brasileiro de Química Teórica, 2001.
  94. Bechara, E.J.H.; Farah, J.P.S.; Quina, F.H.; Catalani, L.H.; Shimizu, Karina; Nery, A.L.P.. "Conversão de colchicina em lumicolchicinas em plantas :fotoquímica na ausência de luz?". Paper presented in 23 Reunião Anual da Sociedade Brasileira de Química, 2000.
  95. Shimizu, Karina; Menegheli, P.; Farah, J.P.S.. "Cálculos semi-empíricos e AB initio de estados de transição.". Paper presented in 21 Reunião Anual da Sociedade Brasileira de Química, 1998.
  96. Shimizu, Karina; Farah, J.P.S.. "Cálculos de solvatação de intermediários reativos e de complexos ativados.". Paper presented in Simpósio de Iniciação Científica da USP, 1998.
  97. Shimizu, Karina; Menegheli, P.; Farah, J.P.S.. "Estrutura molecular e solubilidade.". Paper presented in Simpósio de Iniciação Científica da Universidade de São Paulo, 1997.
  98. Shimizu, Karina; Menegheli, P.; Farah, J.P.S.. "Cálculos semi-empíricos e reatividade de hidrólise de ésteres.". Paper presented in Semana da Química Prof Dr Etelvino J H Bechara, 1997.
  99. Shimizu, Karina; Farah, J.P.S.. "Estrutura molecular e solubilidade.". Paper presented in 20 Reunião Anual da Sociedade Brasileira de Química, 1997.
  100. Shimizu, Karina; Menegheli, P.; Dourado, A.G.; Dias, L.G.; Farah, J.P.S.. "Solvatação e Estrutura Molecular. LSER em Sistemas Organizados e Misturas de Solventes.". Paper presented in Sessão da Academia Brasileira de Ciências Sessão Regular de Ciências Químicas, 1997.
Journal article
  1. Shimizu, Karina; Freitas, Adilson A.. Corresponding author: Shimizu, Karina. "Molecular interactions between ionic liquid lubricants and silica surface: a MD simulation study". The Journal of Physical Chemistry B (2024): https://doi.org/10.1021/acs.jpcb.3c08397.
    Open access • In press
  2. Elstone, Naomi S.; Shimizu, Karina; Shaw, Emily V.; Lane, Paul D.; D’Andrea, Lucía; Demé, Bruno; Mahmoudi, Najet; et al. "Understanding the Liquid Structure in Mixtures of Ionic Liquids with Semiperfluoroalkyl or Alkyl Chains". The Journal of Physical Chemistry B 127 33 (2023): 7394-7407. http://dx.doi.org/10.1021/acs.jpcb.3c02647.
    10.1021/acs.jpcb.3c02647
  3. Marques, Hugo; Shimizu, Karina; Marrucho, Isabel M.. "On the symmetrical and unsymmetrical reference state for ionic liquids modeling: Electrolytes versus neutral compounds". Journal of Molecular Liquids 384 (2023): 122179. http://dx.doi.org/10.1016/j.molliq.2023.122179.
    10.1016/j.molliq.2023.122179
  4. Shimizu, Karina; Watanabe, Masayoshi; Canongia Lopes, JN; Freitas, Adilson A.. Corresponding author: Shimizu, Karina. "The heterogeneous nature of the lithium-ion diffusion in highly concentrated sulfolane-based liquid electrolytes". Journal of Molecular Liquids 382 (2023): 121983. http://dx.doi.org/10.1016/j.molliq.2023.121983.
    Published • 10.1016/j.molliq.2023.121983
  5. Freitas, Adilson A.; Gonçalves da Silva, Amélia M.P.S.; Canongia Lopes, JN; Shimizu, Karina. Corresponding author: Shimizu, Karina. "Molecular origins of nonideality in surface properties of Surfactant-Ionic liquid mixed monolayers". Journal of Molecular Liquids 382 (2023): 121984. http://dx.doi.org/10.1016/j.molliq.2023.121984.
    Published • 10.1016/j.molliq.2023.121984
  6. Marques, Hugo; Canongia Lopes, JN; Freitas, Adilson A.; Shimizu, Karina. "The Nanostructure of Alkyl-Sulfonate Ionic Liquids: Two 1-Alkyl-3-methylimidazolium Alkyl-Sulfonate Homologous Series". Molecules 28 5 (2023): 2094. http://dx.doi.org/10.3390/molecules28052094.
    Open access • 10.3390/molecules28052094
  7. Schino, Ignazio; Cantore, Mariangela; de Candia, Modesto; Altomare, Cosimo D.; Maria, Catarina; Barros, João; Cachatra, Vasco; et al. "Exploring Mannosylpurines as Copper Chelators and Cholinesterase Inhibitors with Potential for Alzheimer’s Disease". Pharmaceuticals 16 1 (2022): 54. http://dx.doi.org/10.3390/ph16010054.
    Open access • Published • 10.3390/ph16010054
  8. Shimizu, Karina; Freitas, Adilson A.; Burba, Christopher M.. Corresponding author: Shimizu, Karina. "Cation-Anion and Cation-Cation Interactions in Mixtures of Hydroxy-functionalized and Aprotic Ionic Liquids". Journal of Ionic Liquids 2 1 (2022): 100022. http://dx.doi.org/10.1016/j.jil.2022.100022.
    Open access • Published • 10.1016/j.jil.2022.100022
  9. Rodrigues, Rita F.; Freitas, Adilson A.; Canongia Lopes, JN; Shimizu, Karina. Corresponding author: Shimizu, Karina. "Ionic Liquids and Water: Hydrophobicity vs. Hydrophilicity". Molecules 26 23 (2021): 7159. http://dx.doi.org/10.3390/molecules26237159.
    Open access • 10.3390/molecules26237159
  10. Carrera, Gonçalo V. S. M.; Inês, João; Bernardes, Carlos E. S.; Klimenko, Kyrylo; Shimizu, Karina; Canongia Lopes, JN. "The Solubility of Gases in Ionic Liquids: A Chemoinformatic Predictive and Interpretable Approach". ChemPhysChem 22 21 (2021): 2190-2200. http://dx.doi.org/10.1002/cphc.202100632.
    Published • 10.1002/cphc.202100632
  11. Rosado, Pedro C.; Meyrelles, Ricardo; Macatrão, Ana M.; Justino, Marta C.; Gomes, A. Gabriela; Montemor, Maria F.; Alves, Marta M.; et al. Corresponding author: Shimizu, Karina. "Immobilization of His-tagged proteins on NiO foams for recyclable enzymatic reactors". Applied Surface Science 537 (2021): 147848. http://dx.doi.org/10.1016/j.apsusc.2020.147848.
    Published • 10.1016/j.apsusc.2020.147848
  12. Hartmann, Diego O.; Shimizu, Karina; Rothkegel, Maika; Petkovic, Marija; Ferraz, Ricardo; Petrovski, Željko; Branco, Luís C.; Canongia Lopes, JN; Silva Pereira, Cristina. "Tailoring amphotericin B as an ionic liquid: an upfront strategy to potentiate the biological activity of antifungal drugs". RSC Advances 11 24 (2021): 14441-14452. http://dx.doi.org/10.1039/d1ra00234a.
    Published • 10.1039/d1ra00234a
  13. Lima, Filipa; Dietz, Carin H. J. T.; Silvestre, Armando J. D.; Branco, Luis C.; Canongia Lopes, JN; Gallucci, Fausto; Shimizu, Karina; Held, Christoph; Marrucho, Isabel. "Vapor Pressure Assessment of Sulfolane-Based Eutectic Solvents: Experimental, PC-SAFT, and Molecular Dynamics". The Journal of Physical Chemistry B 124 46 (2020): 10386-10397. http://dx.doi.org/10.1021/acs.jpcb.0c04837.
    Published • 10.1021/acs.jpcb.0c04837
  14. Freitas, Adilson A.; Shimizu, Karina; Dias, Luis Gustavo; Quina, Frank Herbert. "Computational insights into substituent effects on the stability and reactivity of flavylium cation analogs of anthocyanins". Arkivoc 2020 2 (2020): 146-162. http://dx.doi.org/10.24820/ark.5550190.p011.125.
    Published • 10.24820/ark.5550190.p011.125
  15. Shimizu, Karina; Hisamitsu, Shota; Yanai, Nobuhiro; Kimizuka, Nobuo; Canongia Lopes, JN. Corresponding author: Shimizu, Karina. "Photon Upconversion in TTA-Inducing Ionic Liquids: Pinpointing the Role of IL Nanostructured Media Using MD Simulations". The Journal of Physical Chemistry B 124 15 (2020): 3137-3144. http://dx.doi.org/10.1021/acs.jpcb.0c00768.
    Published • 10.1021/acs.jpcb.0c00768
  16. Freitas, Adilson A.; Shimizu, Karina; Canongia Lopes, JN. Corresponding author: Shimizu, Karina. "Bio-inspired hydrophilic bistriflimide-based ionic liquids: Molecular dynamics modeling and simulations". Journal of Molecular Liquids 301 (2020): 112402. http://dx.doi.org/10.1016/j.molliq.2019.112402.
    Published • 10.1016/j.molliq.2019.112402
  17. Thum, Andreas; Heuer, Andreas; Shimizu, Karina; Canongia Lopes, JN. Corresponding author: Shimizu, Karina. "Solvate ionic liquids based on lithium bis(trifluoromethanesulfonyl)imide–glyme systems: coordination in MD simulations with scaled charges". Physical Chemistry Chemical Physics 22 2 (2020): 525-535. http://dx.doi.org/10.1039/c9cp04947a.
    Published • 10.1039/c9cp04947a
  18. de Ferro, André Mão; Reis, Patrícia M.; Freitas, Adilson A.; Canongia Lopes, JN; Rebelo, Luís Paulo N.; Shimizu, Karina; Esperança, José M. S. S.. Corresponding author: Shimizu, Karina. "Evidences for a Null Molar Volume Contribution by Hydroxyl Groups in Ammonium Bistriflimide-Based Ionic Liquids". Journal of Chemical & Engineering Data 64 11 (2019): 4932-4945. http://dx.doi.org/10.1021/acs.jced.9b00442.
    Published • 10.1021/acs.jced.9b00442
  19. Cruz, Tiago F. C.; Shimizu, Karina; Esperança, José M. S. S.; André, Vânia; Duarte, M. Teresa; Rebelo, Luís P. N.; Gomes, Pedro T.; Canongia Lopes, JN. "Ionic Liquids in Wonderland: From Electrostatics to Coordination Chemistry". The Journal of Physical Chemistry C 123 9 (2019): 5804-5811. http://dx.doi.org/10.1021/acs.jpcc.9b00987.
    Published • 10.1021/acs.jpcc.9b00987
  20. Shimizu, Karina; Ferreira da Silva, João. "Halogen and Hydrogen Bonding Interplay in the Crystal Packing of Halometallocenes". Molecules 23 11 (2018): 2959. http://dx.doi.org/10.3390/molecules23112959.
    Open access • Published • 10.3390/molecules23112959
  21. Freitas, Adilson A.; Shimizu, Karina; Smith, Alexander M.; Perkin, Susan; Canongia Lopes, JN. Corresponding author: Shimizu, Karina. "Structure and dynamics of mica-confined films of [C10C1Pyrr][NTf2] ionic liquid". The Journal of Chemical Physics 148 19 (2018): 193808. http://dx.doi.org/10.1063/1.5007809.
    Published • 10.1063/1.5007809
  22. Shimizu, Karina; Heller, Bettina S. J.; Maier, Florian; Steinrück, Hans-Peter; Canongia Lopes, JN. "Probing the Surface Tension of Ionic Liquids Using the Langmuir Principle". Langmuir 34 14 (2018): 4408-4416. http://dx.doi.org/10.1021/acs.langmuir.7b04237.
    Published • 10.1021/acs.langmuir.7b04237
  23. de Ferro, A. Mão; Reis, P. M.; Soromenho, M. R. C.; Bernardes, C. E. S.; Shimizu, Karina; Freitas, Adilson A.; Esperança, J. M. S. S.; Canongia Lopes, JN; Rebelo, L. P. N.. "Designing the ammonium cation to achieve a higher hydrophilicity of bistriflimide-based ionic liquids". Physical Chemistry Chemical Physics 20 29 (2018): 19307-19313. http://dx.doi.org/10.1039/c8cp03398f.
    Published • 10.1039/c8cp03398f
  24. Addicoat, Matthew; Atkin, Rob; Canongia Lopes, JN; Costa Gomes, Margarida; Firestone, Millicent; Gardas, Ramesh; Halstead, Simon; et al. "Structure and dynamics of ionic liquids: general discussion". Faraday Discussions 206 (2018): 291-337. http://dx.doi.org/10.1039/c7fd90092a.
    Published • 10.1039/c7fd90092a
  25. Ruivo, Diana; Canongia Lopes, JN; Deive, Francisco J.; Esperança, José M. S. S.; Rebelo, Luís Paulo N.; Rodriguez, Ana; Shimizu, Karina. Corresponding author: Shimizu, Karina. "Molecular dynamics studies on the structure and interactions of ionic liquids containing amino-acid anions". Physical Chemistry Chemical Physics 20 37 (2018): 23864-23872. http://dx.doi.org/10.1039/c8cp03831g.
    Published • 10.1039/c8cp03831g
  26. Bastos, Joana C.; Carvalho, Sara F.; Welton, Tom; Canongia Lopes, José N.; Rebelo, Luís Paulo N.; Shimizu, Karina; Araújo, João M. M.; Pereiro, Ana B.. "Design of task-specific fluorinated ionic liquids: nanosegregation versus hydrogen-bonding ability in aqueous solutions". Chemical Communications 54 28 (2018): 3524-3527. http://dx.doi.org/10.1039/c8cc00361k.
    Published • 10.1039/c8cc00361k
  27. Cabry, Christopher P.; D’Andrea, Lucía; Shimizu, Karina; Grillo, Isabelle; Li, Peixun; Rogers, Sarah; Bruce, Duncan W.; Canongia Lopes, JN; Slattery, John M.. "Exploring the bulk-phase structure of ionic liquid mixtures using small-angle neutron scattering". Faraday Discussions 206 (2018): 265-289. http://dx.doi.org/10.1039/c7fd00167c.
    Published • 10.1039/c7fd00167c
  28. Sintra, T. E.; Shimizu, Karina; Ventura, S. P. M.; Shimizu, S.; Canongia Lopes, JN; Coutinho, Joao A. P.. "Enhanced dissolution of ibuprofen using ionic liquids as catanionic hydrotropes". Physical Chemistry Chemical Physics 20 3 (2018): 2094-2103. http://dx.doi.org/10.1039/c7cp07569c.
    Published • 10.1039/c7cp07569c
  29. Cruz, Tiago F. C.; Shimizu, Karina; Esperança, José M. S. S.; Rebelo, Luís Paulo N.; Gomes, Pedro T.; Canongia Lopes, JN. "ILs through the looking glass: electrostatics and structure probed using charge-inverted ionic liquid pairs". Faraday Discussions 206 (2018): 203-218. http://dx.doi.org/10.1039/c7fd00139h.
    Published • 10.1039/c7fd00139h
  30. Bernardes, Carlos E. S.; Shimizu, Karina; Canongia Lopes, JN. "Comparative structural analyses in four ionic liquid systems: the two low-q peaks of IL structure factor functions". Molecular Simulation 44 6 (2017): 478-484. http://dx.doi.org/10.1080/08927022.2017.1396329.
    Published • 10.1080/08927022.2017.1396329
  31. Bruce, Duncan W.; Cabry, Christopher P.; Canongia Lopes, JN; Costen, Matthew L.; D’Andrea, Lucía; Grillo, Isabelle; Marshall, Brooks C.; et al. "Nanosegregation and Structuring in the Bulk and at the Surface of Ionic-Liquid Mixtures". The Journal of Physical Chemistry B 121 24 (2017): 6002-6020. http://dx.doi.org/10.1021/acs.jpcb.7b01654.
    Published • 10.1021/acs.jpcb.7b01654
  32. Ferreira, Margarida L.; Pastoriza-Gallego, María J.; Araújo, João M. M.; Canongia Lopes, JN; Rebelo, Luís Paulo N.; M. Piñeiro, Manuel; Shimizu, Karina; Pereiro, Ana B.. "Influence of Nanosegregation on the Phase Behavior of Fluorinated Ionic Liquids". The Journal of Physical Chemistry C 121 9 (2017): 5415-5427. http://dx.doi.org/10.1021/acs.jpcc.7b00516.
    10.1021/acs.jpcc.7b00516
  33. Shimizu, Karina; Freitas, Adilson A.; Canongia Lopes, JN. Corresponding author: Shimizu, Karina. "Structural characterization of the [CnC1im][C4F9SO3] ionic liquid series: Alkyl versus perfluoroalkyl side chains". Journal of Molecular Liquids 226 (2017): 28-34. http://dx.doi.org/10.1016/j.molliq.2016.08.014.
    Published • 10.1016/j.molliq.2016.08.014
  34. Ferreira da Silva, J. L.; Shimizu, Karina; Teresa Duarte, M.. "The role of halogen interactions in the crystal structure of biscyclopentadienyl dihalides". CrystEngComm 19 20 (2017): 2802-2812. http://dx.doi.org/10.1039/c7ce00362e.
    Published • 10.1039/c7ce00362e
  35. Wang, Da; de Jong, Djurre H.; Rühling, Andreas; Lesch, Volker; Shimizu, Karina; Wulff, Stephanie; Heuer, Andreas; Glorius, Frank; Galla, Hans-Joachim. "Imidazolium-Based Lipid Analogues and Their Interaction with Phosphatidylcholine Membranes". Langmuir 32 48 (2016): 12579-12592. http://dx.doi.org/10.1021/acs.langmuir.6b02496.
    Published • 10.1021/acs.langmuir.6b02496
  36. Bruce, Duncan W.; Gao, Yanan; Canongia Lopes, JN; Shimizu, Karina; Slattery, John M.. "Liquid-Crystalline Ionic Liquids as Ordered Reaction Media for the Diels-Alder Reaction". Chemistry - A European Journal 22 45 (2016): 16113-16123. http://dx.doi.org/10.1002/chem.201602965.
    Published • 10.1002/chem.201602965
  37. Luís, Andreia; Shimizu, Karina; Araújo, João M. M.; Carvalho, Pedro J.; Lopes-da-Silva, José A.; Canongia Lopes, JN; Rebelo, Luís Paulo N.; et al. "Influence of Nanosegregation on the Surface Tension of Fluorinated Ionic Liquids". Langmuir 32 24 (2016): 6130-6139. http://dx.doi.org/10.1021/acs.langmuir.6b00209.
    Published • 10.1021/acs.langmuir.6b00209
  38. Shimizu, Karina; Canongia Lopes, JN. Corresponding author: Shimizu, Karina. "Comparing the structure of different ionic liquid series: Bistriflamide v. hexafluorophosphate; pure v. equimolar mixtures". Fluid Phase Equilibria 418 (2016): 181-191. http://dx.doi.org/10.1016/j.fluid.2015.12.028.
    Published • 10.1016/j.fluid.2015.12.028
  39. Bernardes, Carlos E. S.; Shimizu, Karina; Canongia Lopes, JN; Marquetand, Philipp; Heid, Esther; Steinhauser, Othmar; Schröder, Christian. "Additive polarizabilities in ionic liquids". Physical Chemistry Chemical Physics 18 3 (2016): 1665-1670. http://dx.doi.org/10.1039/c5cp06595j.
    Published • 10.1039/c5cp06595j
  40. Filipe, Eduardo. J. M.; Morgado, Pedro; Teixeira, Miguel; Shimizu, Karina; Bonatout, Nathalie; Goldmann, Michel; Canongia Lopes, JN. "Crystalline-like structures and multilayering in Langmuir films of ionic liquids at the air–water interface". Chemical Communications 52 32 (2016): 5585-5588. http://dx.doi.org/10.1039/c6cc01368f.
    Published • 10.1039/c6cc01368f
  41. Shimizu, Karina; Tariq, Mohammad; Freitas, Adilson A.; Pádua, Agílio A. H.; Canongia Lopes, JN. Corresponding author: Shimizu, Karina. "Self-Organization in Ionic Liquids: From Bulk to Interfaces and Films". Journal of the Brazilian Chemical Society 27 2 (2016): 349-362. http://dx.doi.org/10.5935/0103-5053.20150274.
    Open access • Published • 10.5935/0103-5053.20150274
  42. Murphy, Thomas; Callear, Sam K.; Yepuri, Nageshwar; Shimizu, Karina; Watanabe, Masayoshi; Canongia Lopes, JN; Darwish, Tamim; Warr, Gregory G.; Atkin, Rob. "Bulk nanostructure of the prototypical ‘good’ and ‘poor’ solvate ionic liquids [Li(G4)][TFSI] and [Li(G4)][NO3]". Physical Chemistry Chemical Physics 18 26 (2016): 17224-17236. http://dx.doi.org/10.1039/c6cp00176a.
    Published • 10.1039/c6cp00176a
  43. Shimizu, Karina; Canongia Lopes, JN. Corresponding author: Shimizu, Karina. "Probing the structural features of the 1-alkyl-3-methylimidazolium hexafluorophosphate ionic liquid series using Molecular Dynamics simulations". Journal of Molecular Liquids 210 (2015): 257-263. http://dx.doi.org/10.1016/j.molliq.2015.04.014.
    Published • 10.1016/j.molliq.2015.04.014
  44. Shimizu, Karina; Canongia Lopes, JN; Gonçalves da Silva, Amélia M. P. S.. "Ionic Liquid Films at the Water–Air Interface: Langmuir Isotherms of Tetra-alkylphosphonium-Based Ionic Liquids". Langmuir 31 30 (2015): 8371-8378. http://dx.doi.org/10.1021/acs.langmuir.5b01977.
    Published • 10.1021/acs.langmuir.5b01977
  45. Bernardes, Carlos E S; Shimizu, Karina; Canongia Lopes, JN. "Solvent effects on the polar network of ionic liquid solutions". Journal of Physics: Condensed Matter 27 19 (2015): 194116. http://dx.doi.org/10.1088/0953-8984/27/19/194116.
    Published • 10.1088/0953-8984/27/19/194116
  46. Hartmann, Diego O.; Shimizu, Karina; Siopa, Filipa; Leitão, M. Cristina; Afonso, Carlos A. M.; Canongia Lopes, JN; Silva Pereira, Cristina. "Plasma membrane permeabilisation by ionic liquids: a matter of charge". Green Chemistry 17 9 (2015): 4587-4598. http://dx.doi.org/10.1039/c5gc01472g.
    Published • 10.1039/c5gc01472g
  47. Pison, Laure; Shimizu, Karina; Tamas, George; Canongia Lopes, JN; Quitevis, Edward L.; Gomes, Margarida F. Costa. "Solubility of n-butane and 2-methylpropane (isobutane) in 1-alkyl-3-methylimidazolium-based ionic liquids with linear and branched alkyl side-chains". Physical Chemistry Chemical Physics 17 45 (2015): 30328-30342. http://dx.doi.org/10.1039/c5cp05572e.
    Published • 10.1039/c5cp05572e
  48. Ferreira da Silva, J. L.; Harjivan, Shrika G.; Ferreira, André P.; Shimizu, Karina; Matilde Marques, M.; Duarte, M. Teresa. "Effect of substituents in the molecular and supramolecular architectures of 1-ferrocenyl-2-(aryl)thioethanones". CrystEngComm 17 16 (2015): 3089-3102. http://dx.doi.org/10.1039/c5ce00149h.
    Published • 10.1039/c5ce00149h
  49. Vieira, N. S. M.; Reis, P. M.; Shimizu, Karina; Cortes, O. A.; Marrucho, Isabel; Araújo, J. M. M.; Esperança, J. M. S. S.; et al. "A thermophysical and structural characterization of ionic liquids with alkyl and perfluoroalkyl side chains". RSC Advances 5 80 (2015): 65337-65350. http://dx.doi.org/10.1039/c5ra13869h.
    Published • 10.1039/c5ra13869h
  50. Shimizu, Karina; Freitas, Adilson A.; Atkin, Rob; Warr, Gregory G.; FitzGerald, Paul A.; Doi, Hiroyuki; Saito, Soshi; et al. "Structural and aggregate analyses of (Li salt + glyme) mixtures: the complex nature of solvate ionic liquids". Physical Chemistry Chemical Physics 17 34 (2015): 22321-22335. http://dx.doi.org/10.1039/c5cp03414k.
    Published • 10.1039/c5cp03414k
  51. Tariq, M.; Shimizu, Karina; Esperança, J. M. S. S.; Canongia Lopes, JN; Rebelo, L. P. N.. "Viscosity minima in binary mixtures of ionic liquids + molecular solvents". Physical Chemistry Chemical Physics 17 20 (2015): 13480-13494. http://dx.doi.org/10.1039/c5cp01563d.
    Published • 10.1039/c5cp01563d
  52. Cláudio, Ana Filipa M.; Neves, Márcia C.; Shimizu, Karina; Canongia Lopes, JN; Mara G. Freire; Coutinho, Joao A. P.. "The magic of aqueous solutions of ionic liquids: ionic liquids as a powerful class of catanionic hydrotropes". Green Chemistry 17 7 (2015): 3948-3963. http://dx.doi.org/10.1039/c5gc00712g.
    Published • 10.1039/c5gc00712g
  53. Kurnia, Kiki A.; Sintra, Tânia E.; Neves, Catarina M. S. S.; Shimizu, Karina; Canongia Lopes, JN; Gonçalves, Fernando; Ventura, Sónia P. M.; et al. "The effect of the cation alkyl chain branching on mutual solubilities with water and toxicities". Physical Chemistry Chemical Physics 16 37 (2014): 19952. http://dx.doi.org/10.1039/c4cp02309a.
    Published • 10.1039/c4cp02309a
  54. Bernardes, Carlos E. S.; Shimizu, Karina; Lobo Ferreira, Ana I. M. C.; Santos, Luís M. N. B. F.; Canongia Lopes, JN. "Structure and Aggregation in the 1,3-Dialkyl-imidazolium Bis(trifluoromethylsulfonyl)imide Ionic Liquid Family: 2. From Single to Double Long Alkyl Side Chains". The Journal of Physical Chemistry B 118 24 (2014): 6885-6895. http://dx.doi.org/10.1021/jp502968u.
    Published • 10.1021/jp502968u
  55. Almeida, Hugo F. D.; Mara G. Freire; Fernandes, Ana M.; Lopes-da-Silva, José A.; Morgado, Pedro; Shimizu, Karina; Filipe, Eduardo J. M.; et al. "Cation Alkyl Side Chain Length and Symmetry Effects on the Surface Tension of Ionic Liquids". Langmuir 30 22 (2014): 6408-6418. http://dx.doi.org/10.1021/la501308q.
    Published • 10.1021/la501308q
  56. Dias, Nuno; Shimizu, Karina; Morgado, Pedro; Filipe, Eduardo J. M.; Canongia Lopes, JN; Vaca Chávez, Fabián. "Charge Templates in Aromatic Plus Ionic Liquid Systems Revisited: NMR Experiments and Molecular Dynamics Simulations". The Journal of Physical Chemistry B 118 21 (2014): 5772-5780. http://dx.doi.org/10.1021/jp503130y.
    Published • 10.1021/jp503130y
  57. Freitas, Adilson A.; Shimizu, Karina; Canongia Lopes, JN. Corresponding author: Shimizu, Karina. "Complex Structure of Ionic Liquids. Molecular Dynamics Studies with Different Cation–Anion Combinations". Journal of Chemical & Engineering Data 59 10 (2014): 3120-3129. http://dx.doi.org/10.1021/je500197x.
    Published • 10.1021/je500197x
  58. Shimizu, Karina; Bernardes, Carlos E.S.; Canongia Lopes, JN. Corresponding author: Shimizu, Karina. "The complex structure of ionic liquids at an atomistic level: from “red-and-greens” to charge templates". Pure and Applied Chemistry 86 2 (2014): 119-133. http://dx.doi.org/10.1515/pac-2014-5021.
    Published • 10.1515/pac-2014-5021
  59. Shimizu, Karina; Bernardes, Carlos E. S.; Canongia Lopes, JN. "Structure and Aggregation in the 1-Alkyl-3-Methylimidazolium Bis(trifluoromethylsulfonyl)imide Ionic Liquid Homologous Series". The Journal of Physical Chemistry B 118 2 (2014): 567-576. http://dx.doi.org/10.1021/jp409987d.
    Published • 10.1021/jp409987d
  60. Adamová, Gabriela; Canongia Lopes, JN; Rebelo, Luís Paulo N.; Santos, Luís M. N. B.; Seddon, Kenneth R.; Shimizu, Karina. Corresponding author: Shimizu, Karina. "The alternation effect in ionic liquid homologous series". Phys. Chem. Chem. Phys. 16 9 (2014): 4033-4038. http://dx.doi.org/10.1039/c3cp54584a.
    Published • 10.1039/c3cp54584a
  61. Neves, Catarina M. S. S.; Kurnia, Kiki A.; Shimizu, Karina; Marrucho, Isabel; Rebelo, Luís Paulo N.; Coutinho, Joao A. P.; Mara G. Freire; Canongia Lopes, JN. Corresponding author: Shimizu, Karina. "The impact of ionic liquid fluorinated moieties on their thermophysical properties and aqueous phase behaviour". Phys. Chem. Chem. Phys. 16 39 (2014): 21340-21348. http://dx.doi.org/10.1039/c4cp02008a.
    Published • 10.1039/c4cp02008a
  62. Pereiro, Ana B.; Pastoriza-Gallego, M. J.; Shimizu, Karina; Marrucho, Isabel; Canongia Lopes, JN; Piñeiro, Manuel M.; Rebelo, Luis Paulo N.. "On the Formation of a Third, Nanostructured Domain in Ionic Liquids". The Journal of Physical Chemistry B 117 37 (2013): 10826-10833. http://dx.doi.org/10.1021/jp402300c.
    Published • 10.1021/jp402300c
  63. Morgado, Pedro; Shimizu, Karina; Esperança, José M. S. S.; Reis, Patrícia M.; Rebelo, Luís P. N.; Canongia Lopes, JN; Filipe, Eduardo J. M.. "Using 129Xe NMR to Probe the Structure of Ionic Liquids". The Journal of Physical Chemistry Letters 4 16 (2013): 2758-2762. http://dx.doi.org/10.1021/jz401279u.
    Published • 10.1021/jz401279u
  64. Shimizu, Karina; Bernardes, Carlos E. S.; Triolo, Alessandro; Canongia Lopes, JN. "Nano-segregation in ionic liquids: scorpions and vanishing chains". Physical Chemistry Chemical Physics 15 38 (2013): 16256. http://dx.doi.org/10.1039/c3cp52357h.
    Published • 10.1039/c3cp52357h
  65. Costa, Anabela J. L.; Soromenho, Mário R. C.; Shimizu, Karina; Esperança, José M. S. S.; Canongia Lopes, JN; Rebelo, Luís Paulo N.. "Unusual LCST-type behaviour found in binary mixtures of choline-based ionic liquids with ethers". RSC Advances 3 26 (2013): 10262. http://dx.doi.org/10.1039/c3ra40327k.
    Published • 10.1039/c3ra40327k
  66. Costa, Anabela J. L.; Soromenho, Mário R. C.; Shimizu, Karina; Marrucho, Isabel; Esperança, José M. S. S.; Canongia Lopes, JN; Rebelo, Luís Paulo N.. "Liquid–Liquid Equilibrium of Cholinium-Derived Bistriflimide Ionic Liquids with Water and Octanol". The Journal of Physical Chemistry B 116 30 (2012): 9186-9195. http://dx.doi.org/10.1021/jp3053168.
    Published • 10.1021/jp3053168
  67. Costa, Anabela J. L.; Soromenho, Mário R. C.; Shimizu, Karina; Marrucho, Isabel; Esperança, José M. S. S.; Canongia Lopes, JN; Rebelo, Luís Paulo N.. "Density, Thermal Expansion and Viscosity of Cholinium-Derived Ionic Liquids". ChemPhysChem 13 7 (2012): 1902-1909. http://dx.doi.org/10.1002/cphc.201100852.
    Published • 10.1002/cphc.201100852
  68. Shimizu, Karina; Pensado, Alfonso; Malfreyt, Patrice; Pádua, Agílio A. H.; Canongia Lopes, JN. "2D or not 2D: Structural and charge ordering at the solid-liquid interface of the 1-(2-hydroxyethyl)-3-methylimidazolium tetrafluoroborate ionic liquid". Faraday Discuss. 154 (2012): 155-169. http://dx.doi.org/10.1039/c1fd00043h.
    Published • 10.1039/c1fd00043h
  69. Rocha, Marisa A. A.; Lima, Carlos F. R. A. C.; Gomes, Lígia R.; Schröder, Bernd; Coutinho, João A. P.; Marrucho, Isabel M.; Esperança, José M. S. S.; et al. "High-Accuracy Vapor Pressure Data of the Extended [CnC1im][Ntf2] Ionic Liquid Series: Trend Changes and Structural Shifts". The Journal of Physical Chemistry B 115 37 (2011): 10919-10926. http://dx.doi.org/10.1021/jp2049316.
    Published • 10.1021/jp2049316
  70. Restolho, José; Mata, José L.; Shimizu, Karina; Canongia Lopes, JN; Saramago, Benilde. "Wetting Films of Two Ionic Liquids: [C8mim][BF4] and [C2OHmim][BF4]". The Journal of Physical Chemistry C 115 32 (2011): 16116-16123. http://dx.doi.org/10.1021/jp204911h.
    Published • 10.1021/jp204911h
  71. Pereiro, A. B.; Rodriguez, A.; Blesic, M.; Shimizu, Karina; Canongia Lopes, JN; Rebelo, L. P. N.. "Mixtures of Pyridine and Nicotine with Pyridinium-Based Ionic Liquids". Journal of Chemical & Engineering Data 56 12 (2011): 4356-4363. http://dx.doi.org/10.1021/je2001446.
    Published • 10.1021/je2001446
  72. Köhler, Ralf; Restolho, José; Krastev, Rumen; Shimizu, Karina; Canongia Lopes, JN; Saramago, Benilde. "Liquid- or Solid-Like Behavior of [omim][BF4] at a Solid Interface?". The Journal of Physical Chemistry Letters 2 13 (2011): 1551-1555. http://dx.doi.org/10.1021/jz2005682.
    Published • 10.1021/jz2005682
  73. Freire, Mara G.; Neves, Catarina M. S. S.; Shimizu, Karina; Bernardes, Carlos E. S.; Marrucho, Isabel; Coutinho, Joao A. P.; Canongia Lopes, JN; Rebelo, Luís Paulo N.. "Mutual Solubility of Water and Structural/Positional Isomers of N-Alkylpyridinium-Based Ionic Liquids". The Journal of Physical Chemistry B 114 48 (2010): 15925-15934. http://dx.doi.org/10.1021/jp1093788.
    Published • 10.1021/jp1093788
  74. Shimizu, Karina; Pádua, Agílio A. H.; Canongia Lopes, JN. Corresponding author: Shimizu, Karina. "Nanostructure of Trialkylmethylammonium Bistriflamide Ionic Liquids Studied by Molecular Dynamics". The Journal of Physical Chemistry B 114 47 (2010): 15635-15641. http://dx.doi.org/10.1021/jp108420x.
    Published • 10.1021/jp108420x
  75. Vitorino, Joana; Leal, João P.; Licence, Peter; Lovelock, Kevin R. J.; Gooden, Peter N.; Minas da Piedade, Manuel E.; Shimizu, Karina; Rebelo, Luís P. N.; Canongia Lopes, JN. "Vaporisation of a Dicationic Ionic Liquid Revisited". ChemPhysChem 11 17 (2010): 3673-3677. http://dx.doi.org/10.1002/cphc.201000723.
    Published • 10.1002/cphc.201000723
  76. Deive, Francisco J.; Rodríguez, Ana; Pereiro, Ana B.; Shimizu, Karina; Forte, Paulo A. S.; Romão, Carlos C.; Canongia Lopes, JN; Esperança, José M. S. S.; Rebelo, Luís P. N.. "Phase Equilibria of Haloalkanes Dissolved in Ethylsulfate- or Ethylsulfonate-Based Ionic Liquids". The Journal of Physical Chemistry B 114 21 (2010): 7329-7337. http://dx.doi.org/10.1021/jp1025015.
    Published • 10.1021/jp1025015
  77. Shimizu, Karina; Tariq, Mohammad; Gomes, Margarida F. Costa; Rebelo, Luís P. N.; Canongia Lopes, JN. "Assessing the Dispersive and Electrostatic Components of the Cohesive Energy of Ionic Liquids Using Molecular Dynamics Simulations and Molar Refraction Data". The Journal of Physical Chemistry B 114 17 (2010): 5831-5834. http://dx.doi.org/10.1021/jp101910c.
    Published • 10.1021/jp101910c
  78. Shimizu, Karina; Tariq, M.; Rebelo, Luís P.N.; Canongia Lopes, JN. "Binary mixtures of ionic liquids with a common ion revisited: A molecular dynamics simulation study". Journal of Molecular Liquids 153 1 (2010): 52-56. http://dx.doi.org/10.1016/j.molliq.2009.07.012.
    Published • 10.1016/j.molliq.2009.07.012
  79. Shimizu, Karina; Costa Gomes, Margarida F.; Pádua, Agílio A.H.; Rebelo, Luís P.N.; Canongia Lopes, JN. "Three commentaries on the nano-segregated structure of ionic liquids". Journal of Molecular Structure: THEOCHEM 946 1-3 (2010): 70-76. http://dx.doi.org/10.1016/j.theochem.2009.11.034.
    Published • 10.1016/j.theochem.2009.11.034
  80. Shimizu, Karina; Almantariotis, Dimitrios; Gomes, Margarida F. Costa; Pádua, Agílio. A. H.; Canongia Lopes, JN. "Molecular Force Field for Ionic Liquids V: Hydroxyethylimidazolium, Dimethoxy-2- Methylimidazolium, and Fluoroalkylimidazolium Cations and Bis(Fluorosulfonyl)Amide, Perfluoroalkanesulfonylamide, and Fluoroalkylfluorophosphate Anions". The Journal of Physical Chemistry B 114 10 (2010): 3592-3600. http://dx.doi.org/10.1021/jp9120468.
    Published • 10.1021/jp9120468
  81. Shimizu, Karina; Costa Gomes, Margarida F.; Pádua, Agílio A. H.; Rebelo, Luís Paulo N.; Canongia Lopes, JN. "On the Role of the Dipole and Quadrupole Moments of Aromatic Compounds in the Solvation by Ionic Liquids". The Journal of Physical Chemistry B 113 29 (2009): 9894-9900. http://dx.doi.org/10.1021/jp903556q.
    Published • 10.1021/jp903556q
  82. Blesic, Marijana; Canongia Lopes, JN; Pádua, Agílio A. H.; Shimizu, Karina; Gomes, Margarida F. Costa; Rebelo, Luís Paulo N.. "Phase Equilibria in Ionic Liquid-Aromatic Compound Mixtures, Including Benzene Fluorination Effects". The Journal of Physical Chemistry B 113 21 (2009): 7631-7636. http://dx.doi.org/10.1021/jp902178g.
    Published • 10.1021/jp902178g
  83. Rodrigues, Rita França; Ferreira da Silva, Palmira; Shimizu, Karina; Freitas, Adilson A.; Kovalenko, Sergey A.; Ernsting, Nikolaus P.; Quina, Frank H.; Maçanita, António. "Ultrafast Internal Conversion in a Model Anthocyanin-Polyphenol Complex: Implications for the Biological Role of Anthocyanins in Vegetative Tissues of Plants". Chemistry - A European Journal 15 6 (2009): 1397-1402. http://dx.doi.org/10.1002/chem.200801207.
    Published • 10.1002/chem.200801207
  84. Canongia Lopes, JN; Shimizu, Karina; Pádua, Agílio A. H.; Umebayashi, Yasuhiro; Fukuda, Shuhei; Fujii, Kenta; Ishiguro, Shin-ichi. "Potential Energy Landscape of Bis(fluorosulfonyl)amide". The Journal of Physical Chemistry B 112 31 (2008): 9449-9455. http://dx.doi.org/10.1021/jp803309c.
    Published • 10.1021/jp803309c
  85. Canongia Lopes, JN; Pádua, Agílio A. H.; Shimizu, Karina. "Molecular Force Field for Ionic Liquids IV:¿ Trialkylimidazolium and Alkoxycarbonyl-Imidazolium Cations; Alkylsulfonate and Alkylsulfate Anions". The Journal of Physical Chemistry B 112 16 (2008): 5039-5046. http://dx.doi.org/10.1021/jp800281e.
    Published • 10.1021/jp800281e
  86. Canongia Lopes, JN; Shimizu, Karina; Pádua, Agílio A. H.; Umebayashi, Yasuhiro; Fukuda, Shuhei; Fujii, Kenta; Ishiguro, Shin-ichi. "A Tale of Two Ions:¿ The Conformational Landscapes of Bis(trifluoromethanesulfonyl)amide and N,N-Dialkylpyrrolidinium". The Journal of Physical Chemistry B 112 5 (2008): 1465-1472. http://dx.doi.org/10.1021/jp076997a.
    Published • 10.1021/jp076997a
  87. Freitas, Adilson A.; Shimizu, Karina; Dias, Luís G.; Quina, Frank H.. "A computational study of substituted flavylium salts and their quinonoidal conjugate-bases: S0 -> S1 electronic transition, absolute pKa and reduction potential calculations by DFT and semiempirical methods". Journal of the Brazilian Chemical Society 18 8 (2007): 1537-1546. http://dx.doi.org/10.1590/s0103-50532007000800014.
    Open access • Published • 10.1590/s0103-50532007000800014
  88. Paulo, Luísa; Freitas, Adilson A.; Ferreira da Silva, Palmira; Shimizu, Karina; Quina, Frank H.; Maçanita, António L.. "Novel Ground- and Excited-State Prototropic Reactivity of a Hydroxycarboxyflavylium Salt". The Journal of Physical Chemistry A 110 6 (2006): 2089-2096. http://dx.doi.org/10.1021/jp054038f.
    Published • 10.1021/jp054038f
  89. Shimizu, Karina; Freitas, Adilson A.; Farah, J. P. S.; Dias, L. G.. "Predicting Hydration Free Energies of Neutral Compounds by a Parametrization of the Polarizable Continuum Model". The Journal of Physical Chemistry A 109 49 (2005): 11322-11327. http://dx.doi.org/10.1021/jp054673l.
    Published • 10.1021/jp054673l
  90. Ferreira da Silva, Palmira; Lima, João C.; Freitas, Adilson A.; Shimizu, Karina; Maçanita, Antonio L.; Quina, Frank H.. "Charge-Transfer Complexation as a General Phenomenon in the Copigmentation of Anthocyanins". The Journal of Physical Chemistry A 109 32 (2005): 7329-7338. http://dx.doi.org/10.1021/jp052106s.
    Published • 10.1021/jp052106s
  91. Shimizu, Karina; Chaimovich, H.; Farah, J. P. S.; Dias, L. G.; Bostick, D. L.. "Calculation of the Dipole Moment for Polypeptides Using the Generalized Born-Electronegativity Equalization Method:¿ Results in Vacuum and Continuum-Dielectric Solvent". The Journal of Physical Chemistry B 108 13 (2004): 4171-4177. http://dx.doi.org/10.1021/jp037315w.
    Published • 10.1021/jp037315w
  92. Menegon, G.; Shimizu, Karina; Farah, J. P. S.; Dias, L. G.; Chaimovich, H.. "Parameterization of the electronegativity equalization method based on the charge model 1". Physical Chemistry Chemical Physics 4 24 (2002): 5933-5936. http://dx.doi.org/10.1039/b206991a.
    Published • 10.1039/b206991a
  93. Dias, L.G.; Shimizu, Karina; Farah, J.P.S.; Chaimovich, H.. "A simple method for the fast calculation of charge redistribution of solutes in an implicit solvent model". Chemical Physics 282 2 (2002): 237-243. http://dx.doi.org/10.1016/s0301-0104(02)00717-6.
    Published • 10.1016/s0301-0104(02)00717-6
  94. Nery, Ana L. P.; Quina, Frank H.; Moreira, Paulo F.; Medeiros, Carlos E. R.; Baader, Wilhelm J.; Shimizu, Karina; Catalani, Luiz H.; Bechara, Etelvino J. H.. "Does the Photochemical Conversion of Colchicine into Lumicolchicines Involve Triplet Transients? A Solvent Dependence Study¶". Photochemistry and Photobiology 73 3 (2001): 213-218. http://dx.doi.org/10.1562/0031-8655(2001)0730213dtpcoc2.0.co2.
    Published • 10.1562/0031-8655(2001)0730213dtpcoc2.0.co2
Activities

Oral presentation

Presentation title Event name
Host (Event location)
2023/04/27 Bulk structure of mixed ionic liquid systems 9th Congress in Ionic Liquids (COIL-9)
(Lyon, France)
2023/04/25 Ionic Liquids at Interfaces: Probing their Structure and Interactions 9th Congress in Ionic Liquids (COIL-9)
(Lyon, France)
2022/11 The Acid-Base Properties of Ground and Excited States of Anthocyanins and their Flavylium Cation Analogs 15th Latin American Conference on Physical Organic Chemistry (CLAFQO-15)
(Florianópolis, Brazil)
2019/05 Ionic Liquids for task-specific processes in clean energy applications The 8th International Congress on Ionic Liquids (COIL-8)
(Pequim, China)
2018/11 Energy harvesting and storage using task-specific ionic liquids. EMLG/JMLG Annual Meeting 2018 and 41st Symposium on Solution Chemistry of Japan
(Nagóia, Japan)
2018/10 Ionic Liquid amphiphiles: Spontaneous multilayering in Langmuir films of ionic liquids at the air–water interface. 27th EuCheMS Conference on Molten Salts and Ionic Liquids, EuCheMSIL 2018
(Lisboa, Portugal)
2018/10 Hydrophilic Bistriflimide-based Ionic Liquids. 27th EuCheMS Conference on Molten Salts and Ionic Liquids, EuCheMSIL 2018
(Lisboa, Portugal)
2018/10 The Ionic Liquid / Vacuum and Ionic Liquid / Solid Interface probed by ARXPS. 27th EuCheMS Conference on Molten Salts and Ionic Liquids, EuCheMSIL 2018
(Lisboa, Portugal)
2018/10 ILs at the Mirror: Isoelectronic, Charge-reversed Ions and Symmetrical Salts. 27th EuCheMS Conference on Molten Salts and Ionic Liquids, EuCheMSIL 2018
(Lisboa, Portugal)
2018/03 Structure in conventional and not so conventional aromatic ionic liquids. 255th ACS National Meeting & Exposition
American Chemical Society (New Orleans, United States)
2018/03 From Cnidaria to Mollusca: Bulk and surface structuration in Ionic Liquids. 255th ACS National Meeting & Exposition
American Chemical Society (New Orleans, United States)
2018 The Evaluating the Surface Tension of Ionic Liquids Using the Langmuir Principle and Molecular Dynamics Structural Data. 20th Symposium on Thermophysical Properties
NIST (Boulder, United States)
2017 ILs through the looking glass: Electrostatics and structure probed using charge-inverted ionic liquid pairs. Ionic Liquids: From Fundamental Properties to Practical Applications - Faraday Discussion
Royal Society of Chemistry (Cambridge, United Kingdom)
2017 Exploring the bulk-phase structure of ionic liquid mixtures using small-angle neutron scattering. Ionic Liquids: From Fundamental Properties to Practical Applications - Faraday Discussion
Royal Society of Chemistry (Cambridge, United Kingdom)
2016 Between a Rock and Hard Place: The Structure od 2D-Constrained Ionic Liquids. 26th EUCHEM Conference on Molten Salts and Ionic Liquids
(Viena, Austria)
2016 Ionic liquids as media for photon upconvertion: a modelling study. Molten Salts Discussion Group, MSDG Christmas 2016 Research Meeting
Royal Society of Chemistry (Londres, United Kingdom)
2015 Probing the distinctive interactions and structures of ionic liquids and their mixtures using MD simulations and different aggregation analysis tools. 7thInternational Symposium on Molecular Thermodynamics and Molecular Simulation (MTMS’15)
(Fukuoka, Japan)
2015 Chemical and computational evidence for a liquid crystal effect in Diels-Alder and Claisen chemistry. 6th International Congress on Ionic Liquids (COIL-6)
(Jeju, South Korea)
2015 (Plenary) Probing the distinctive interactions and structures of ionic liquids and their mixtures using MD simulations and different aggregation analysis tools. EMLG/JMLG Meeting 2015
(Rostock, Germany)
2015 (Plenary) Not-So-Common Phase Equilibria And Unpredictable Miscibility In Ionic Liquid-Containing Systems. 41st Conference on Phase Equilibria - XLIèmes Journées d’Étude des Équilibres entre Phases
(Coimbra, Portugal)
2015 Nano-segregation and structuring in the bulk and at the vacuum-liquid interface of ionic liquid mixtures. 6th International Congress on Ionic Liquids (COIL-6)
(Jeju, South Korea)
2015 Probing the Structure of Ionic Liquids and Ionic Liquid Crystals with 129Xe NMR and Molecular Dynamics. 19º Symposium On Thermophysical Properties
NIST (Boulder, United States)
2015 Spontaneous Multilayering in Langmuir Films of Ionic Liquids at the Air-Water Interface. 19º Symposium On Thermophysical Properties
NIST (Boulder, United States)
2015 Solvent Effects On The Polar Network Of Ionic Liquid Solutions. 41st Conference on Phase Equilibria - XLIèmes Journées d’Étude des Équilibres entre Phases
(Coimbra, Portugal)
2015 Tailoring Ammonium-based Bistriflamide Ionic Liquids to Manipulate their Properties and Interactions. Iberoamerican Meeting on Ionic Liquids- IMIL 2015
(Madri, Spain)
2014 Uncovering The Interactions Between Ammonium Based Ionic Liquids And Molecular Solvents. 20th European Conference on the Thermophysical Properties (ECTP)
(Porto, Portugal)
2014 Probing the complex structure and properties of ionic liquids using MD simulations. 248th ACS National Meeting
American Chemical Society (São Francisco, United States)
2014 Probing the complex structure of ionic liquids using MD simulations. Liquids 2014 9th Liquid Matter Conference
(Lisboa, Portugal)
2013 The Complex Structure of Ionic Liquids at an Atomistic Level: From "Red-and-Greens" to Charge Templates. 33rd International Conference on Solution Chemistry (ICSC)
(Kyoto, Japan)
2013 Modeling Ionic Liquids and Their Mixtures Using MD Simulations: From Predictions to Interpretation. 33rd International Conference on Solution Chemistry (ICSC) - Post-symposium on Ionic Liquids From Science to Green Chemical Applications
(Tokyo, Japan)
2013 Multiple Mesoscopic Domains in Ionic Liquids. MD and Data Farming. Symposium on… Ionic Liquids
(Messina)
2013 Probing structure and nano-segregation in RTILs - 129Xe NMR and MD simulations. 5th International Congress on Ionic Liquids (COIL-5)
(Algarve, Portugal)
2013 A comparative study of the solid-fluid transitions of HMIm (PFBu)SO3 and NB4 (PFBu)SO3: new fluorinated domain. 5th International Congress on Ionic Liquids (COIL-5)
(Algarve, Portugal)
2013 Can liquid-crystalline ionic liquids influence the rate and/or selectivity of chemical reactions? 5th International Congress on Ionic Liquids (COIL-5)
(Algarve, Portugal)
2012 LCST Phase Behavior in Novel Ionic Liquid/Conventional Solvent Systems. 18º Symposium On Thermophysical Properties
NIST (Boulder, United States)
2011 Evaluating the Dispersive and Electrostatic Components of the Cohesive Energy of Ionic Liquids Using Molecular Dynamics Simulations and Molar Refraction Data. 4th International Congress on Ionic Liquids (COIL-4)
(Washington, United States)
2010 Wrap It Up ! Interactions between Ionic Liquids and Other Media from a Structural Perspective. 239th ACS National Meeting – Symposium on the Physical Chemistry of Ionic Liquids
American Chemical Society (São Francisco, United States)
2010 Ethylsulfate and Ethylsulfonate-based Ionic Liquids Compared: Phase Equilibria with Haloalkanes. Pacifichem 2010
American Chemical Society (Honolulu, United States)
2009 The Complex Nature of Ionic Liquid Solutions: Aromatic Solutes as Templates of the Ionic Liquid Solvent. Molten Salts Discussion Group, Winter Research Meeting 2009
Royal Society of Chemistry (Londres, United Kingdom)
2009 The Structure of Ionic Liquid Solutions of Benzene Derivatives: Aromatic Solvents as Molecular Charge Templates of the Ionic Liquid Solvent. 6rth International Discussion Meeting on Relaxations in Complex Systems
(Roma, Italy)
2009 Solubility of Organic Compounds in Ionic Liquids. Thermodynamics 2009
(Londres, United Kingdom)
2009 Vacuum-liquid and solid-liquid interfaces of ionic liquids: A molecular dynamics study. 24th European Symposium on Applied Thermodynamics ESAT-2009
(Santiago de Compostela, Spain)
2008 4-Methyl-7-Methoxyflavylium Chloride-Sensitized Photooxidation of Protocatechuic Acid. IX Encontro Latino-Americano de Fotoquímica e Fotobiologia
(Cubatão, Brazil)
2007 Geração de oxigênio singlete pelo estado excitado do 4-metil-7-metoxiflavílio (MMF), um análogo sintético de antocianinas. 30a Reunião Anual da Sociedade Brasileira de Química
Sociedade Braileira de Química (Águas de Lindóia, Brazil)
2007 Heterogeneous Structures In Mixtures Of Ionic And Molecular Liquids. Thermodynamics 2007
(Rueil-Malmasion, France)

Supervision

Thesis Title
Role 		Degree Subject (Type)
Institution / Organization
2022/10/01 - Current Solubility of Greenhouse Gases in Task-specific Ionic Liquids
Supervisor
Universidade de Lisboa Instituto Superior Técnico, Portugal
2022/01/01 - Current Análisis computacional y aplicación racional de Líquidos Iónicos verdes (Supervisor Researcher)
Supervisor of Lois Morandeira Conde
Universidade de Lisboa Instituto Superior Técnico, Portugal
2019/12/01 - Current ILNanos (Supervisor Researcher)
Supervisor of Rita França Rodrigues
Universidade de Lisboa Instituto Superior Técnico, Portugal
2020 - 2022/12/15 Composites of metal-organic frameworks plus ILs: MOF-ILs or porous liquids
Supervisor
Universidade de Lisboa Instituto Superior Técnico, Portugal
2022/03 - 2022/09/30 Ionic Liquids Nanostructures: from Fundamentals to Applications (Supervisor PhD grant equivalent)
Supervisor of Hugo da Silva Marques
Universidade de Lisboa Instituto Superior Técnico, Portugal
2019/05 - 2020/04 Ionic Liquids Nanostructures: from Fundamentals to Applications (Supervisor PhD grant equivalent)
Supervisor of Ricardo Meyrelles
Universidade de Lisboa Instituto Superior Técnico, Portugal
2015 - 2016 New Artificial Blood Substitutes using Fluorinated Ionic Liquids
Co-supervisor of Margarida Lourenço Ferreira
Universidade Nova de Lisboa Instituto de Tecnologia Química e Biológica, Portugal

Event organisation

Event name
Type of event (Role) 		Institution / Organization
2022/05/26 - 2022/05/27 4th edition of the CQE Days, which will take place at Faculdade de Ciências da Universidade de Lisboa, on May 26th and 27th. (2021/12/16)
Conference (Member of the Organising Committee)
 Universidade de Lisboa Centro de Química Estrutural, Portugal
2021/05/27 - 2021/05/28 3rd edition of the CQE Days, which was held online, on May 27th and 28th. (2020/12/16)
Conference (Member of the Organising Committee)
 Universidade de Lisboa Centro de Química Estrutural, Portugal
2019/05/30 - 2019/05/31 1st edition of the CQE Days, which took place at the Hall (Salão Nobre) of Academia das Ciências de Lisboa, on May 30th and 31st. (2019/01/30 - 2019/05/31)
Conference (Member of the Organising Committee)
2016/03/22 - 2016/05/26 14th PPEPPD International Conference on Properties and Phase Equilibria for Product and Process Design, Oporto, Portugal, 22 – 26 May 2016. (Executive Organizing Committee ) (2016/05/22 - 2016/05/26)
Conference (Member of the Organising Committee)
2015/10/04 - 2015/10/07 2nd EuCheMS Congress on Green and Sustainable Chemistry, 2nd EUGSC, Lisbon, Portugal, 4 – 7 October 2015. (Executive Organizing Committee) (2015/10/04 - 2015/10/07)
Conference (Member of the Organising Committee)

Event participation

Activity description
Type of event 		Event name
Institution / Organization
2018/10 - Current Session co-Chair of “Modelling” at 27th EuCheMS Conference on Molten Salts and Ionic Liquids, EuCheMSIL 2018, Lisbon, Portugal, 2018.
Conference
 27th EuCheMS Conference on Molten Salts and Ionic Liquids, EuCheMSIL 2018
2018/03 - Current Session Chair of “Physical Chemistry of Ionic Liquids: Structure” at 255th ACS National Meeting & Exposition, New Orleans, USA, 2018.
Conference
 255th ACS National Meeting & Exposition
American Chemical Society, United States
2015/10 - Current Session Chair of “Polymers, Ionic Liquids and Synthesis” at 2nd EUGSC, Lisbon, Portugal, 2015.
Conference
 2nd EuCheMS Congress on Green and Sustainable Chemistry, 2nd EUGSC
2020/05/28 - 2020/05/29 Session Chair of #CQECompChem at 2nd edition of the CQE Days 2nd edition of the CQE Days
Universidade de Lisboa Centro de Química Estrutural, Portugal

Jury of academic degree

Topic
Role 		Candidate name (Type of degree)
Institution / Organization
2020/12/16 Langmuir films of ionic liquids: a molecular dynamics study
(Thesis) Main arguer
 Beatriz Isabel Ouro Colaço (Master)
2019/12/02 Langmuir monolayers of perfluorinated fatty acids: a molecular dynamics simulation study
(Thesis) Main arguer
 Ana Carolina Oliveira Alves (Master)
Universidade de Lisboa Instituto Superior Técnico, Portugal
2016 Ionic Liquids in the Development of Novel Biomaterials
(Thesis) Main arguer
 Joana Campainhas Bastos (Master)
Universidade Nova de Lisboa Instituto de Tecnologia Química e Biológica, Portugal

Committee member

Activity description
Role 		Institution / Organization
2020 - Current CQE Image and Communication Commission
Member
 Universidade de Lisboa Centro de Química Estrutural, Portugal

Conference scientific committee

Conference name Conference host
2022/01/31 - 2022/05/27 4th edition of the CQE Days, on May 26th and 27th Centro de Química Estrutural - Universidade de Lisboa
2021/01/31 - 2021/05/28 3rd edition of the CQE Days, on May 27th and 28th. Centro de Química Estrutural - Universidade de Lisboa
2019/03/01 - 2019/05/31 1st edition of the CQE Days, on May 30th and 31st. Centro de Química Estrutural - Universidade de Lisboa

Course / Discipline taught

Academic session Degree Subject (Type) Institution / Organization
2020/02 - 2020/08/31 Prediction of Fluid Properties: Modeling and Simulation Prediction of Fluid Properties: Modeling and Simulation (Mestrado integrado) Universidade de Lisboa Instituto Superior Técnico, Portugal
2014/02/03 - 2014/02/28 Training course in molecular dynamics (112 hours) FREE OPTION CURRICULAR UNIT – ITQB PhD Program (Doutoramento) Universidade Nova de Lisboa Instituto de Tecnologia Química e Biológica, Portugal

Evaluation committee

Activity description
Role 		Institution / Organization Funding entity
2019 - Current External Member of the Thesis Monitoring Committee
Evaluator
 Universidade Nova de Lisboa Faculdade de Ciências e Tecnologia, Portugal

Journal scientific committee

Journal title (ISSN) Publisher
2021/11/23 - Current Frontiers in Physics (2296-424X) Frontiers
2021/07/06 - Current Journal of Ionic Liquids (2772-4220) Elsevier
2021/02/05 - Current Journal of Molecular Graphics and Modelling (1093-3263) Elsevier
2020/09/09 - Current Angewandte Chemie (1433-7851) Wiley
2020/09/04 - Current Surfaces and Interfaces (2468-0230) Elsevier
2020/09 - Current Frontiers in Chemistry (2296-2646) Frontiers
2020/07/29 - Current Arabian Journal of Chemistry (1878-5352) Elsevier
2020/05/15 - Current Chemical Physics (0301-0104) Elsevier
2019 - Current ACS Sustainable Chemistry & Engineering (2168-0485) American Chemical Society
2019 - Current Journal of CO2 Utilization (2212-9820) Elsevier
2019 - Current Industrial & Engineering Chemistry Research (1520-5045) American Chemical Society
2019 - Current Journal of Chemical Theory and Computation (1549-9626) American Chemical Society
2019 - Current International Journal of Biological Macromolecules (0141-8130) Elsevier
2019 - Current ChemPhysChem (1439-7641) Wiley (John Wiley & Sons)
2018 - Current ACS Omega (2470-1343) American Chemical Society
2018 - Current Physical Chemistry Chemical Physics (1463-9084) The Royal Society of Chemistry
2017 - Current Accounts of Chemical Research (1520-4898) American Chemical Society
2017 - Current Journal of Chemical & Engineering Data (1520-5134) American Chemical Society
2017 - Current Chemical Engineering Science (0009-2509) Elsevier
2017 - Current Journal of The Electrochemical Society (1945-7111) The Electrochemical Society
2016 - Current The Journal of Physical Chemistry Letters (1948-7185) American Chemical Society
2016 - Current The Journal of Chemical Physics (1089-7690) American Institute of Physics
2015 - Current Fluid Phase Equilibria (0378-3812) Elsevier
2015 - Current Journal of Molecular Liquids (0167-7322) Elsevier
2015 - Current Molecules (1420-3049) MDPI AG
2011 - Current The Journal of Physical Chemistry B (1520-5207) American Chemical Society

Mentoring / Tutoring

Topic Student name
2023/03/01 - 2023/07/31 Training course in molecular dynamics (5 months) Stefano Russo
2019/06/17 - 2019/07/31 Training course in molecular dynamics (2 months) Lois Morandeira Conde
2017/07/04 - 2017/12/22 Training course in molecular dynamics (3 months) Andreas Thum
2016/05/02 - 2016/07/29 Training course in molecular dynamics (3 months) Francesco Sessa

Other jury / evaluation

Activity description Institution / Organization
2014 - 2014 Participation in the jury of Nicole Sofia Morgado Vieria, “Fluorinated Ionic Liquids as Artificial Blood Substitutes – Cytotoxicity and Partition Properties“, Postgraduate Course – Scientific Research Internship A, 2014 Universidade Nova de Lisboa Instituto de Tecnologia Química e Biológica, Portugal
Distinctions

Other distinction

2018 Paper highlighted as "Editor's Pick" on the Journal's website: J. Chem. Phys. 2018, 148, 193808
AIP Publishing LLC, United States
2018 Paper highlighted on the cover: Phys.Chem.Chem.Phys., 2018, 20, 23864
Royal Society of Chemistry, United Kingdom
2018 Paper highlighted on the cover: Phys. Chem. Chem. Phys. 2018, 20, 19307
Royal Society of Chemistry, United Kingdom
2018 Paper highlighted on the cover: Faraday Discuss., 2018, 206, 203
Royal Society of Chemistry, United Kingdom
2014 Paper highlighted on the cover: J. Chem. Eng. Data 2014, 59, 3120
ACS Publications, United States
2014 Distinção Essential Science Indicators highly Cited Papers com o artigo J. Phys. Chem. B 2014, 118, 567
ACS Publications, United States