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Dinis O. Abranches is a researcher in Chemical Engineering. His research interests include machine learning, data science, thermodynamics, computational chemistry, and molecular dynamics, which he explores to predict physicochemical phenomena and understand non-covalent interactions in materials. He is active in green-chemistry-related fields, namely deep eutectic solvents, hydrotropy, and ionic liquids, and has published over 40 articles in international peer-reviewed journals (h-index 19). He obtained a MSc (2023, GPA 4.0/4.0) and a PhD (2024, GPA 4.0/4.0) in Chemical Engineering from the University of Notre Dame, USA, where he won several prizes for outstanding academic achievement. Before that he obtained his BSc (2018, GPA 19/20) and MSc (2020, GPA 19/20) in Chemical Engineering at the University of Aveiro, Portugal.
Identificação

Identificação pessoal

Nome completo
JOÃO DINIS OLIVEIRA ABRANCHES

Nomes de citação

  • Dinis O. Abranches

Identificadores de autor

Ciência ID
9218-8DF6-24E9
ORCID iD
0000-0003-0097-2072
Google Scholar ID
1YsuuH4AAAAJ&hl
Researcher Id
AAH-6368-2019
Scopus Author Id
57209311204

Endereços de correio eletrónico

  • jdinis@ua.pt (Profissional)

Websites

Domínios de atuação

  • Ciências da Engenharia e Tecnologias - Engenharia Química
  • Ciências Exatas - Ciências da Computação e da Informação
  • Ciências da Engenharia e Tecnologias - Engenharia dos Materiais
  • Ciências Exatas - Química

Idiomas

Idioma Conversação Leitura Escrita Compreensão Peer-review
Português (Idioma materno)
Inglês Utilizador proficiente (C2) Utilizador proficiente (C2) Utilizador proficiente (C2) Utilizador proficiente (C2) Utilizador proficiente (C2)
Espanhol; Castelhano Utilizador proficiente (C2) Utilizador proficiente (C2) Utilizador proficiente (C2) Utilizador proficiente (C2) Utilizador proficiente (C2)
Formação
Grau Classificação
2024/03/26
Concluído
Chemical Engineering (Doutoramento)
University of Notre Dame, Estados Unidos
"Thermodynamics-Informed Machine Learning for the Design of Sustainable Materials: The Dawn of Digital Molecular Discovery" (TESE/DISSERTAÇÃO)
4.0/4.0
2023/05/20
Concluído
Chemical Engineering (Mestrado)
University of Notre Dame, Estados Unidos
4.0/4.0
2020/07/13
Concluído
Engenharia Química (Mestrado integrado)
Universidade de Aveiro, Portugal
"Unveiling the mechanism of hydrotropy: towards a sustainable future" (TESE/DISSERTAÇÃO)
19/20
2018/06/21
Concluído
Ciências de Engenharia Química (Licenciatura)
Universidade de Aveiro, Portugal
19/20
Percurso profissional

Ciência

Categoria Profissional
Instituição de acolhimento
Empregador
2021/02/03 - 2024/03/26 Investigador (Investigação) University of Notre Dame, Estados Unidos
Projetos

Projeto

Designação Financiadores
2022/08/01 - 2024/03/26 DOE EFRC on Breakthrough Electrolytes for Energy Storage and Systems (BEES2)
Bolseiro de Doutoramento
Case Western Reserve University, Estados Unidos
US Department of Energy
Em curso
2021/02/03 - 2024/03/26 Exploiting the Emergent Behavior in Ionic Liquids for Advanced Rare Earth Separations
630340
Bolseiro de Doutoramento
Los Alamos National Laboratory, Estados Unidos
US Department of Energy
Em curso
2020/02/08 - 2020/07/07 CICECO-Aveiro Institute of Materials
Bolseiro de Investigação
Universidade de Aveiro, Portugal
Fundação para a Ciência e a Tecnologia
Concluído
2019/02/01 - 2019/12/31 CICECO-Aveiro Institute of Materials
Bolseiro de Iniciação Científica
Universidade de Aveiro, Portugal
Fundação para a Ciência e a Tecnologia
Concluído
2018/10/08 - 2019/01/31 IgY Technology: A Purification Platform using Ionic-Liquid-Based Aqueous Biphasic Systems
Bolseiro de Iniciação Científica
Universidade de Aveiro, Portugal
European Commission

European Research Council
Concluído
Produções

Publicações

Artigo em revista
  1. Dinis O. Abranches; Edward J. Maginn; Yamil J. Colón. "Boosting Graph Neural Networks with Molecular Mechanics: A Case Study of Sigma Profile Prediction". Journal of Chemical Theory and Computation (2023): https://doi.org/10.1021/acs.jctc.3c01003.
    10.1021/acs.jctc.3c01003
  2. Gabriel Teixeira; Dinis O. Abranches; Maria Olga Amorim Sá Ferreira; João A.P. Coutinho. "Estimating the Melting Temperatures of Type V Deep Eutectic Solvents". Industrial & Engineering Chemistry Research (2023): http://dx.doi.org/10.1021/acs.iecr.3c01063.
    10.1021/acs.iecr.3c01063
  3. Sandra S. Silva; Dinis O. Abranches; Ana S. Pinto; Bruna de Paula Soares; Helena Passos; Ana M. Ferreira; João A.P. Coutinho. "Solubility Enhancement of Hydrophobic Compounds in Aqueous Solutions Using Biobased Solvents as Hydrotropes". Industrial & Engineering Chemistry Research 62 30 (2023): 12021-12028. http://dx.doi.org/10.1021/acs.iecr.3c01469.
    10.1021/acs.iecr.3c01469
  4. Dinis O. Abranches; Edward J. Maginn; Yamil J. Colón. "Activity coefficient acquisition with thermodynamics-informed active learning for phase diagram construction". AIChE Journal (2023): https://doi.org/10.1002/aic.18141.
    10.1002/aic.18141
  5. Dinis O. Abranches; João A.P. Coutinho. "Everything You Wanted to Know about Deep Eutectic Solvents but Were Afraid to Be Told". Annual Review of Chemical and Biomolecular Engineering 14 1 (2023): 141-163. http://dx.doi.org/10.1146/annurev-chembioeng-101121-085323.
    10.1146/annurev-chembioeng-101121-085323
  6. Mónia A. R. Martins; Dinis O. Abranches; Liliana P. Silva; Simão P. Pinho; João A. P. Coutinho. "Tetraalkylammonium Chlorides as Melting Point Depressants of Ionic Liquids". Journal of Solution Chemistry (2023): http://dx.doi.org/10.1007/s10953-023-01285-0.
    10.1007/s10953-023-01285-0
  7. Sérgio M. Vilas-Boas; Isabella W. Cordova; Dinis O. Abranches; João A.P. Coutinho; Maria Olga Amorim Sá Ferreira; Simão P. Pinho. "Modeling the Solubility of Monoterpenoids with Hybrid and Predictive Thermodynamic Tools". Industrial & Engineering Chemistry Research 62 12 (2023): 5326-5335. http://dx.doi.org/10.1021/acs.iecr.2c03991.
    10.1021/acs.iecr.2c03991
  8. Anna P.S. Crema; Nicolas Schaeffer; Henrique Bastos; Liliana P. Silva; Dinis O. Abranches; Helena Passos; Maria C. Hespanhol; João A.P. Coutinho. "New family of Type V eutectic solvents based on 1,10-phenanthroline and their application in metal extraction". Hydrometallurgy 215 (2023): 105971-105971. http://dx.doi.org/10.1016/j.hydromet.2022.105971.
    10.1016/j.hydromet.2022.105971
  9. Inês C. M. Vaz; Ana I. M. C. Lobo Ferreira; Gonçalo M. C. Silva; Pedro Morgado; Dinis O. Abranches; Margarida Bastos; Luís M. N. B. F. Santos; Eduardo J. M. Filipe; João A. P. Coutinho. "The path towards type V deep eutectic solvents: inductive effects and steric hindrance in the system tert-butanol + perfluoro tert-butanol". Physical Chemistry Chemical Physics (2023): https://doi.org/10.1039/D3CP00701D.
    10.1039/D3CP00701D
  10. Isabela Sales; Dinis O. Abranches; Tânia E. Sintra; Silvana Mattedi; Mara G. Freire; João A.P. Coutinho; Simão P. Pinho. "Selection of hydrotropes for enhancing the solubility of artemisinin in aqueous solutions". Fluid Phase Equilibria 562 (2022): 113556-113556. http://dx.doi.org/10.1016/j.fluid.2022.113556.
    10.1016/j.fluid.2022.113556
  11. Mónia A. R. Martins; Dinis O. Abranches; Liliana P. Silva; Simão P. Pinho; João A. P. Coutinho. "Insights into the Chloride versus Bromide Effect on the Formation of Urea-Quaternary Ammonium Eutectic Solvents". Industrial & Engineering Chemistry Research (2022): https://doi.org/10.1021/acs.iecr.2c01274.
    10.1021/acs.iecr.2c01274
  12. "Type V deep eutectic solvents: Design and applications". Current Opinion in Green and Sustainable Chemistry 35 (2022): 100612-100612. http://dx.doi.org/10.1016/j.cogsc.2022.100612.
    10.1016/j.cogsc.2022.100612
  13. Gabriel Teixeira; Dinis O. Abranches; Liliana P. Silva; Sérgio M. Vilas-Boas; Simão P. Pinho; Ana I. M. C. L. Ferreira; Luís M. N. B. F. Santos; Olga Ferreira; João A. P. Coutinho. "Liquefying Flavonoids with Terpenoids through Deep Eutectic Solvent Formation". Molecules 27 9 (2022): 2649-2649. https://doi.org/10.3390/molecules27092649.
    10.3390/molecules27092649
  14. "Sigma Profiles in Deep Learning: Towards a Universal Molecular Descriptor". Chemical Communications (2022): http://dx.doi.org/10.1039/d2cc01549h.
    10.1039/d2cc01549h
  15. Ana I. M. C. Lobo Ferreira; Sérgio M. Vilas-Boas; Rodrigo M. A. Silva; Mónia A. R. Martins; Dinis. O. Abranches; Paula C. R. Soares-Santos; Filipe A. Almeida Paz; et al. "Extensive characterization of choline chloride and its solid–liquid equilibrium with water". Physical Chemistry Chemical Physics (2022): https://doi.org/10.1039/D2CP00377E.
    10.1039/D2CP00377E
  16. Dinis O. Abranches; Bruna P. Soares; Ana M. Ferreira; Seishi Shimizu; Simão P. Pinho; João A. P. Coutinho. "The impact of size and shape in the performance of hydrotropes: a case-study of alkanediols". Physical Chemistry Chemical Physics 24 13 (2022): 7624-7634. https://doi.org/10.1039/D2CP00496H.
    10.1039/D2CP00496H
  17. José Pedro Wojeicchowski; Dinis O. Abranches; Ana M. Ferreira; Marcos R. Mafra; João A.P. Coutinho. "Using COSMO-RS to Predict Solvatochromic Parameters for Deep Eutectic Solvents". ACS Sustainable Chemistry & Engineering (2021): https://doi.org/10.1021/acssuschemeng.1c02621.
    10.1021/acssuschemeng.1c02621
  18. Jean-Baptiste Chagnoleau; Nicolas Papaiconomou; Mona Jamali; Dinis O. Abranches; João A. P. Coutinho; Xavier Fernandez; Thomas Michel. "Toward a Critical Evaluation of DES-Based Organic Biphasic Systems: Are Deep Eutectic Solvents so Critical?". ACS Sustainable Chemistry & Engineering 9 29 (2021): 9707-9716. https://doi.org/10.1021/acssuschemeng.1c01628.
    10.1021/acssuschemeng.1c01628
  19. Dinis O. Abranches; Liliana P. Silva; Mónia A. R. Martins; João A. P. Coutinho. "Differences on the impact of water on the deep eutectic solvents betaine/urea and choline/urea". The Journal of Chemical Physics (2021): https://doi.org/10.1063/5.0052303.
    10.1063/5.0052303
  20. Tânia E. Sintra; Dinis O. Abranches; Jordana Benfica; Bruna P. Soares; Sónia P.M. Ventura; João A.P. Coutinho. "Cholinium-based ionic liquids as bioinspired hydrotropes to tackle solubility challenges in drug formulation". European Journal of Pharmaceutics and Biopharmaceutics 164 (2021): 86-92. https://doi.org/10.1016/j.ejpb.2021.04.013.
    10.1016/j.ejpb.2021.04.013
  21. "Solid-liquid phase behavior of eutectic solvents containing sugar alcohols". Journal of Molecular Liquids (2021): 116392-116392. http://dx.doi.org/10.1016/j.molliq.2021.116392.
    10.1016/j.molliq.2021.116392
  22. Isabela Sales; Dinis O. Abranches; Pedro Costa; Tânia E. Sintra; Sónia P.M. Ventura; Silvana Mattedi; João A.P. Coutinho; Mara G. Freire; Simão P. Pinho. "Enhancing Artemisinin Solubility in Aqueous Solutions: Searching for Hydrotropes based on Ionic Liquids". Fluid Phase Equilibria (2021): https://doi.org/10.1016/j.fluid.2021.112961.
    10.1016/j.fluid.2021.112961
  23. Nicolas Schaeffer; Dinis O. Abranches; Liliana P. Silva; Mónia A.R. Martins; Pedro J. Carvalho; Olga Russina; Alessandro Triolo; et al. "Non-Ideality in Thymol + Menthol Type V Deep Eutectic Solvents". ACS Sustainable Chemistry & Engineering 9 5 (2021): 2203-2211. https://doi.org/10.1021/acssuschemeng.0c07874.
    10.1021/acssuschemeng.0c07874
  24. "The role of ionic vs. non-ionic excipients in APIs-based eutectic systems". European Journal of Pharmaceutical Sciences 156 (2021): 105583-105583. http://dx.doi.org/10.1016/j.ejps.2020.105583.
    10.1016/j.ejps.2020.105583
  25. Dinis O. Abranches; Jordana Benfica; Bruna P. Soares; Ana M. Ferreira; Tânia E. Sintra; Seishi Shimizu; João A. P. Coutinho. "The impact of the counterion in the performance of ionic hydrotropes". Chemical Communications (2021): https://doi.org/10.1039/D0CC08092F.
    10.1039/D0CC08092F
  26. Filipe H. B. Sosa; Dinis O. Abranches; André M. da Costa Lopes; João A. P. Coutinho; Mariana C. da Costa. "Kraft Lignin Solubility and Its Chemical Modification in Deep Eutectic Solvents". ACS Sustainable Chemistry & Engineering 8 50 (2020): 18577-18589. https://doi.org/10.1021/acssuschemeng.0c06655.
    10.1021/acssuschemeng.0c06655
  27. Dinis O. Abranches; Jordana Benfica; Seishi Shimizu; João A. P. Coutinho. "The Perspective of Cooperative Hydrotropy on the Solubility in Aqueous Solutions of Cyrene". Industrial & Engineering Chemistry Research 59 41 (2020): 18649-18658. https://doi.org/10.1021/acs.iecr.0c02346.
    10.1021/acs.iecr.0c02346
  28. Dinis O. Abranches; Jordana Benfica; Seishi Shimizu; João A. P. Coutinho. "Solubility Enhancement of Hydrophobic Substances in Water/Cyrene Mixtures: A Computational Study". Industrial & Engineering Chemistry Research 59 40 (2020): 18247-18253. https://doi.org/10.1021/acs.iecr.0c03155.
    10.1021/acs.iecr.0c03155
  29. "Using COSMO-RS in the Design of Deep Eutectic Solvents for the Extraction of Antioxidants from Rosemary". ACS Sustainable Chemistry & Engineering (2020): http://dx.doi.org/10.1021/acssuschemeng.0c03553.
    10.1021/acssuschemeng.0c03553
  30. "Understanding the Formation of Deep Eutectic Solvents: Betaine as a Universal Hydrogen Bond Acceptor". ChemSusChem (2020): http://dx.doi.org/10.1002/cssc.202001331.
    10.1002/cssc.202001331
  31. Dinis O. Abranches; Renato O. Martins; Liliana P. Silva; Mónia A. R. Martins; Simão P. Pinho; João A. P. Coutinho. "Liquefying Compounds by Forming Deep Eutectic Solvents: A Case Study for Organic Acids and Alcohols". The Journal of Physical Chemistry B 124 20 (2020): 4174-4184. https://doi.org/10.1021/acs.jpcb.0c02386.
    10.1021/acs.jpcb.0c02386
  32. "Glycerol Ethers as Hydrotropes and Their Use to Enhance the Solubility of Phenolic Acids in Water". ACS Sustainable Chemistry & Engineering (2020): http://dx.doi.org/10.1021/acssuschemeng.0c01032.
    10.1021/acssuschemeng.0c01032
  33. "Experimental solubility and density studies on aqueous solutions of quaternary ammonium halides, and thermodynamic modelling for melting enthalpy estimations". Journal of Molecular Liquids (2020): http://dx.doi.org/10.1016/j.molliq.2019.112281.
    10.1016/j.molliq.2019.112281
  34. Dinis O. Abranches; Jordana Benfica; Bruna P. Soares; Alejandro Leal-Duaso; Tânia E. Sintra; Elísabet Pires; Simão P. Pinho; Seishi Shimizu; João A. P. Coutinho. "Unveiling the mechanism of hydrotropy: evidence for water-mediated aggregation of hydrotropes around the solute". Chemical Communications (2020): https://doi.org/10.1039/D0CC03217D.
    10.1039/D0CC03217D
  35. Dinis O. Abranches; Nicolas Schaeffer; Liliana P. Silva; Mónia A. R. Martins; Simão P. Pinho; João A. P. Coutinho. "The Role of Charge Transfer in the Formation of Type I Deep Eutectic Solvent-Analogous Ionic Liquid Mixtures". Molecules 24 20 (2019): 3687-3687. https://doi.org/10.3390/molecules24203687.
    10.3390/molecules24203687
  36. "Greener Terpene–Terpene Eutectic Mixtures as Hydrophobic Solvents". ACS Sustainable Chemistry & Engineering (2019): http://dx.doi.org/10.1021/acssuschemeng.9b04614.
    10.1021/acssuschemeng.9b04614
  37. Dinis O. Abranches; Marcos Larriba; Liliana P. Silva; Manuel Melle-Franco; José F. Palomar; Simão P. Pinho; João A.P. Coutinho. "Using COSMO-RS to design choline chloride pharmaceutical eutectic solvents". Fluid Phase Equilibria 497 (2019): 71-78. https://doi.org/10.1016/j.fluid.2019.06.005.
    10.1016/j.fluid.2019.06.005
  38. "Can cholinium chloride form eutectic solvents with organic chloride-based salts?". Fluid Phase Equilibria (2019): http://dx.doi.org/10.1016/j.fluid.2019.04.019.
    10.1016/j.fluid.2019.04.019
  39. Dinis O. Abranches; Mónia A. R. Martins; Liliana P. Silva; Nicolas Schaeffer; Simão P. Pinho; João A. P. Coutinho. "Phenolic hydrogen bond donors in the formation of non-ionic deep eutectic solvents: the quest for type V DES". Chemical Communications (2019): https://doi.org/10.1039/C9CC04846D.
    10.1039/C9CC04846D
  40. Liliana P. Silva; Catarina F. Araújo; Dinis O. Abranches; Manuel Melle-Franco; Mónia A. R. Martins; Mariela M. Nolasco; Paulo J. A. Ribeiro-Claro; Simão P. Pinho; João A. P. Coutinho. "What a difference a methyl group makes – probing choline–urea molecular interactions through urea structure modification". Physical Chemistry Chemical Physics (2019): https://doi.org/10.1039/C9CP03552D.
    10.1039/C9CP03552D
Poster em conferência
  1. I. C. M. Vaz; A. I. M. C. Lobo Ferreira; G. M. C. Silva; P. Morgado; D. O. Abranches; M. Bastos; L. M. N. B. F. Santos; E. J. M. Filipe; J. A. P. Coutinho. "Thermodynamic study of a mixture of two tertiary alcohols - A pathway for the design of type V deep eutectic solvents". Trabalho apresentado em 7th International Conference on Ionic Liquid-based Materials, 2023.
  2. Dinis O. Abranches; E. J. Maginn; Y. J. Colón. "Novel Sustainable Materials Design with Thermodynamics-Informed Machine Learning". Trabalho apresentado em 2023 AIChE Annual Meeting, 2023.
  3. Ana M. Ferreira; Ana S. Pinto; Brayan Cruz; Dinis O. Abranches; Helena Passos; Kosuke Kuroda; João A.P. Coutinho. "Enhancing solubility of hydrophobic compounds: exploring zwitterionic compounds as alternative hydrotopes". Trabalho apresentado em 7th International Conference on Ionic Liquid-based Materials, 2023.
  4. Dinis O. Abranches; E. J. Maginn; Y. J. Colón. "Novel Sustainable Materials Design with Thermodynamics-Informed Machine Learning". Trabalho apresentado em 9th Annual CBE Graduate Research Symposium, 2023.
  5. Dinis O. Abranches; W. Dean; M. Muñoz; W. Wang; Y. Liang; B. Gurkan; E. J. Maginn; Y. J. Colón. "Accelerating the Design of Concentrated Hydrogen Bonded Electrolytes using Active Learning and High Throughput Experimental Screening". Trabalho apresentado em 2023 Energy Frontier Research Centers, 2023.
  6. G. Teixeira; D. O. Abranches; O. Ferreira; J. A. P. Coutinho. "Estimating the Melting Temperatures of Type V Deep Eutectic Solvents". Trabalho apresentado em 26th International Conference on Chemical Thermodynamics, 2023.
  7. Dinis O. Abranches; E. J. Maginn; Y. J. Colón. "Activity Coefficient Acquisition through Thermodynamics-Informed Active Learning: A Case-Study of Phase Diagram Construction". Trabalho apresentado em 3rd International Meeting on Deep Eutectic Systems, 2023.
  8. Dinis O. Abranches; J. A. P. Coutinho. "Type V Deep Eutectic Solvents: Design and Applications". Trabalho apresentado em 3rd International Meeting on Deep Eutectic Systems, 2023.
  9. Dinis O. Abranches; E. J. Maginn; Y. J. Colón. "Exploring the Activity Coefficient Landscape of Mixtures Using Gaussian Processes and Active Learning". Trabalho apresentado em 16th International Conference on Properties and Phase Equilibria for Product and Process Design (PPEPPD2023), 2023.
  10. José Pedro Wojeicchowski; Dinis O. Abranches; Ana M. Ferreira; Marcos R. Mafra; João A.P. Coutinho. "Solvatochromic Parameters Prediction Based On Cosmo-Rs Descriptors". Trabalho apresentado em COIL 9 – 9th International Congress on Ionic Liquids, 2023.
  11. Ana M. Ferreira; Ana S. Pinto; Brayan Cruz; José G.P. Santos; Dinis O. Abranches; Helena Passos; Kosuke Kuroda; João A.P. Coutinho. "Are zwitterionic compounds analogous to ionic liquids a pathway as alternative hydrotropes?". Trabalho apresentado em COIL 9 ¿ 9th International Congress on Ionic Liquids, 2023.
  12. J. Benfica; D. O. Abranches; N. Schaeffer; J. A. P. Coutinho. "Solubility Enhancement of Poorly Water Soluble Compounds: Eutectic Solvents versus Ionic Liquids". Trabalho apresentado em XII Iberoamerican Conference on Phase Equilibria and Fluid Properties for Process Design (Equifase 2022) and XI Brazilian Conference on Applied Thermodynamics (CBTermo 2022), 2022.
  13. G. Teixeira; D. O. Abranches; O. Ferreira; J. A. P. Coutinho. "Computational modelling of type V deep eutectic solventes". Trabalho apresentado em - XII Iberoamerican Conference on Phase Equilibria and Fluid Properties for Process Design (Equifase 2022) and XI Brazilian Conference on Applied Thermodynamics (CBTermo 2022), 2022.
  14. G. Teixeira; D. O. Abranches; L. P. Silva; S. M. Vilas-Boas; S. P. Pinho; A. I. M. C. L. Ferreira; L. M. N. B. F. Santos; O. Ferreira; J. A. P. Coutinho. "Liquefying flavonoids with terpenoids through deep eutectic solvent formation". Trabalho apresentado em XII Iberoamerican Conference on Phase Equilibria and Fluid Properties for Process Design (Equifase 2022) and XI Brazilian Conference on Applied Thermodynamics (CBTermo 2022), 2022.
  15. G. Teixeira; D. O. Abranches; A. I. M. C. Lobo Ferreira; L. M. N. B. F. Santos; O. Ferreira; J. A.P. Coutinho. "Eutectic solvent formulation with active pharmaceutical ingredientes". Trabalho apresentado em XII Iberoamerican Conference on Phase Equilibria and Fluid Properties for Process Design (Equifase 2022) and XI Brazilian Conference on Applied Thermodynamics (CBTermo 2022), 2022.
  16. J. Benfica; D. O. Abranches; N. Schaeffer; S. Shimizu; J. A. P. Coutinho. "The Perspective of Cooperative Hydrotropy on the Solubility in Aqueous Solutions of Cyrene". Trabalho apresentado em - XII Iberoamerican Conference on Phase Equilibria and Fluid Properties for Process Design (Equifase 2022) and XI Brazilian Conference on Applied Thermodynamics (CBTermo 2022), 2022.
  17. J. Benfica; D. O. Abranches; N. Schaeffer; J. A. P. Coutinho. "Solubility Enhancement of Poorly Water-Soluble Compounds: Ionic Liquids versus Eutectic Solvents". Trabalho apresentado em Jornadas CICECO 2022, 2022.
  18. D. O. Abranches; Y. Zhang; E. J. Maginn; Y. J. Colón. "Sigma Profiles in Deep Learning: Towards a Universal Molecular Descriptor". Trabalho apresentado em Fundamentals of Separation Science and Engineering (Gordon Research Conference), 2022.
  19. D. O. Abranches; Y. Zhang; E. J. Maginn; Y. J. Colón. "Sigma Profiles in Deep Learning: Towards a Universal Molecular Descriptor". Trabalho apresentado em Fundamentals of Separation Science and Engineering (Gordon Research Seminar), 2022.
  20. Wojeicchowski, José Pedro; Dinis O. Abranches; Ana M. Ferreira; Marcos R. Mafra; João A.P. Coutinho. "Prediction of Hansen Parameters through a COSMO-RS approach". Trabalho apresentado em JORNADAS CICECO 2022, 2022.
  21. D. O. Abranches; Y. Zhang; E. J. Maginn; Y. J. Colón. "Sigma Profiles in Deep Learning: Towards a Universal Molecular Descriptor". Trabalho apresentado em 8th Annual CBE Graduate Research Symposium, 2022.
  22. D. O. Abranches; J. Benfica; S. Shimizu; J. A. P. Coutinho. "The perspective of cooperative hydrotropy on the solubility in aqueous solutions of cyrene". Trabalho apresentado em 20th International Symposium on Solubility Phenomena and Related Equilibrium Processes, 2022.
  23. G. Teixeira; D. O. Abranches; O. Ferreira; J. A. P. Coutinho. "Computational modelling of type v deep eutectic solvents". Trabalho apresentado em 20th International Symposium on Solubility Phenomena and Related Equilibrium Processes, 2022.
  24. M. A. R. Martins; D. O. Abranches; L. P. Silva; S. P. Pinho; J. A. P. Coutinho. "Insights into the formation of (deep) eutectic solvents". Trabalho apresentado em 20th International Symposium on Solubility Phenomena and Related Equilibrium Processes, 2022.
  25. G. Teixeira; D. O. Abranches; L. P. Silva; S. M. Vilas-Boas; S. P. Pinho; A. I. M. C. L. Ferreira; L. M. N. B. F. Santos; O. Ferreira; J A. P. Coutinho. "Liquefying flavonoids with terpenoids through deep eutectic solvent formation". Trabalho apresentado em 20th International Symposium on Solubility Phenomena and Related Equilibrium Processes, 2022.
  26. Bruna P. Soares; Dinis O. Abranches; Ana M. Ferreira; Pinho, Simão P.; João A. P. Coutinho. "Kamlet-taft and py polarity scales as tools to understand the hydrotropy effect of alkanediols". Trabalho apresentado em 20th International Symposium on Solubility Phenomena and Related Equilibrium Processes (ISSP-20), 2022.
  27. Brayan Cruz; Ana S. Pinto; Tatiana D. Ferreira; Dinis O. Abranches; Ana M. Ferreira; Helena Passos; João A.P. Coutinho. "Zwitterionic ionic liquids as hydrotropes: the influence of cationic alkyl chains and spacer size on bioactive compounds solubility". Trabalho apresentado em 20th International Symposium on Solubility Phenomena and Related Equilibrium Processes (ISSP-20), 2022.
  28. D. O. Abranches; Y. Zhang; E. J. Maginn; Y. J. Colón. "Sigma Profiles in Deep Learning: Towards a Universal Molecular Descriptor". Trabalho apresentado em FOMMS 2022: Foundations of Molecular Modeling and Simulation, 2022.
  29. B. P. Soares; D. O. Abranches; S. P. Pinho; J. A. P. Coutinho. "Alkanediols as Efficient Hydrotropes to Enhance the Aqueous Solubility of Syringic Acid". Trabalho apresentado em 19th International Symposium on Solubility Phenomena and Related Equilibrium Processes, 2022.
  30. D. O. Abranches; J. Benfica; S. Shimizu; J. A. P. Coutinho. "The Perspective of Cooperative Hydrotropy on the Solubility in Aqueous Solutions of Cyrene". Trabalho apresentado em 5th International Symposium on Green Chemistry (ISGC 2022), 2022.
  31. J. Benfica; D. O. Abranches; H. Almeida; S. P. Pinho; O. Ferreira; J. A. P. Coutinho. "Solubility Enhancement of Poorly Water Soluble Compounds: Eutectic Solvents versus Ionic Liquids". Trabalho apresentado em 6th Green & Sustainable Chemistry Conference, 2021.
  32. D. O. Abranches; L. P. Silva; M. A. R. Martins; S. P. Pinho; J. A. P. Coutinho. "Understanding the Formation of Deep Eutectic Solvents: Betaine as a Universal Hydrogen Bond Acceptor". Trabalho apresentado em 31st European Symposium on Applied Thermodynamics, 2021.
  33. J. P. Wojeicchowski; D. O. Abranches; A. M. Ferreira; M. R. Mafra; J. A. P. Coutinho. "Using COSMO-RS to predict the solvatochromic parameters of deep eutectic solvents". Trabalho apresentado em 25th Annual Green Chemistry & Engineering Conference, 2021.
  34. B. P. Soares; D. O. Abranches; S. P. Pinho; J. A. P. Coutinho. "Alkanediols as efficient hydrotropes to enhance the aqueous solubility of syringic acid". Trabalho apresentado em 25th Annual Green Chemistry & Engineering Conference, 2021.
  35. J. Benfica; D. O. Abranches; S. P. Pinho; O. Ferreira; J. A. P. Coutinho. "Solubility Enhancement of Poorly Water Soluble Compounds: Eutectic Solvents versus Ionic Liquids". Trabalho apresentado em Jornadas CICECO 2020, 2020.
  36. José Pedro Wojeicchowski; Dinis O. Abranches; Ana M. Ferreira; Marcos R. Mafra; João A. P. Coutinho. "COSMO-RS to design Deep Eutectic Solvents for Antioxidant Extraction". Trabalho apresentado em Jornadas CICECO 2020 - ONLINE, 2020.
  37. D. O. Abranches; M. Larriba; L. P. Silva; M. Melle-Franco; J. F. Palomar; S. P. Pinho; J. A. P. Coutinho. "Using COSMO-RS to Design Choline Chloride-Based Eutectic Solvents". Trabalho apresentado em 4th International Conference on Ionic Liquids in Separation and Purification Technology Conference (ILSEPT), 2019.
  38. D. O. Abranches; L. P. Silva; M. A. R. Martins; L. Fernandez; S. P. Pinho; J. A. P. Coutinho. "Can Cholinium Chloride form Eutectic Solvents with Organic Chloride-based Salts?". Trabalho apresentado em 4th International Conference on Ionic Liquids in Separation and Purification Technology Conference (ILSEPT), 2019.
  39. D. O. Abranches; L. P. Silva; S. P. Pinho; J. A. P. Coutinho. "Aromatic deep eutectic solvents from phenolic compounds". Trabalho apresentado em 4th International Conference on Ionic Liquids in Separation and Purification Technology Conference (ILSEPT), 2019.
  40. M. A. R. Martins; L. P. Silva; E. A. Crespo; D. O. Abranches; S. P. Pinho; J. A. P. Coutinho. "Terpene-based hydrophobic eutectic mixtures: approaches and perspectives". Trabalho apresentado em 4th International Conference on Ionic Liquids in Separation and Purification Technology Conference (ILSEPT), 2019.
  41. D. O. Abranches; M. Larriba; L. P. Silva; M. Melle-Franco; J. F. Palomar; S. P. Pinho; J. A. P. Coutinho. "Using COSMO-RS to Design Choline Chloride-Based Eutectic Solvents". Trabalho apresentado em 26th Thermodynamics Conference (Thermodynamics 2019), 2019.
  42. D. O. Abranches; L. P. Silva; S. P. Pinho; J. A. P. Coutinho. "Aromatic Deep Eutectic Solvents from Phenolic Compounds". Trabalho apresentado em 26th Thermodynamics Conference (Thermodynamics 2019), 2019.
  43. D. O. Abranches; M. Larriba; L. P. Silva; M. Melle-Franco; J. F. Palomar; S. P. Pinho; J. A. P. Coutinho. "Using COSMO-RS to Design Choline Chloride-Based Eutectic Solvents". Trabalho apresentado em 1st International Meeting on Deep Eutectic Solvents, 2019.
  44. D. O. Abranches; L. P. Silva; M. A. R. Martins; L. Fernandez; S. P. Pinho; J. A. P. Coutinho. "Can Cholinium Chloride form Eutectic Solvents with Organic Chloride-based Salts?". Trabalho apresentado em 1st International Meeting on Deep Eutectic Solvents, 2019.
  45. D. O. Abranches; L. P. Silva; S. P. Pinho; J. A. P. Coutinho. "Aromatic Deep Eutectic Solvents from Phenolic Compounds". Trabalho apresentado em 1st International Meeting on Deep Eutectic Solvents, 2019.
  46. M. A. R. Martins; L. P. Silva; D. O. Abranches; S. P. Pinho; J. A. P. Coutinho. "Sustainable Hydrophobic Terpene-Terpene Eutectic Mixtures". Trabalho apresentado em 1st International Meeting on Deep Eutectic Solvents, 2019.
  47. L. P. Silva; M. A. R. Martins; D. O. Abranches; S. P. Pinho; J. A. P. Coutinho. "Sustainable Hydrophobic Terpene-Terpene Eutectic Mixtures". Trabalho apresentado em 1st Ibero-American Congress of Chemical Engineering (CIBIQ), 2019.
  48. D. O. Abranches; L. P. Silva; S. P. Pinho; J. A. P. Coutinho. "Aromatic Deep Eutectic Solvents from Phenolic Compounds". Trabalho apresentado em Jornadas CICECO 2019, 2019.
  49. M. A. R. Martins; L. P. Silva; E. A. Crespo; D. O. Abranches; S. P. Pinho; J. A. P. Coutinho. "Terpene-based hydrophobic eutectic mixtures: approaches and perspectives". Trabalho apresentado em Jornadas CICECO 2019, 2019.
  50. D. O. Abranches; M. Larriba; L. P. Silva; M. Melle-Franco; J. F. Palomar; S. P. Pinho; J. A. P. Coutinho. "Using COSMO-RS to Design Choline Chloride-Based Eutectic Solvents". Trabalho apresentado em 13th International Chemical and Biological Engineering Conference (CHEMPOR 2018), 2018.
Tese / Dissertação
  1. "Thermodynamics-Informed Machine Learning for the Design of Sustainable Materials: The Dawn of Digital Molecular Discovery". Doutoramento, University of Notre Dame, 2024.
  2. "Unveiling the Mechanism of Hydrotropy: Towards a Sustainable Future". Mestrado, Universidade de Aveiro, 2020. https://ria.ua.pt/handle/10773/28936.
Atividades

Apresentação oral de trabalho

Título da apresentação Nome do evento
Anfitrião (Local do evento)
2023/11/21 Solubility enhancement of hydrophobic compounds in aqueous solutions using eutectic solvents or ionic liquids 7th International Conference on Ionic Liquid-Based Materials
(Porto, Portugal)
2023/11/05 Activity Coefficient Acquisition with Thermodynamics-Informed Active Learning for Phase Diagram Construction 2023 AIChE Annual Meeting
American Institute of Chemical Engineers (Orlando, FL, Estados Unidos)
2023/11/05 Informing Graph Convolutional Networks with Molecular Mechanics: A Case Study of Sigma Profile Prediction 2023 AIChE Annual Meeting
American Institute of Chemical Engineers (Orlando, FL, Estados Unidos)
2023/07/30 Exploring the Potential of Zwitterionic Compounds and Ionic Liquids as Effective Hydrotropes for Hydrophobic Compounds 26th IUPAC International Conference of Chemical Thermodynamics
(Osaka, Japão)
2023/06/28 Materials Design with Thermodynamics-Informed Machine Learning Department of Chemistry Lecture
University of Aveiro (Aveiro, Portugal)
2022/11/13 Sigma Profiles in Deep Learning: Towards a Universal Molecular Descriptor 2022 AIChE Annual Meeting
American Institute of Chemical Engineers (Phoenix, AZ, Estados Unidos)
2022/10/24 Hydrotropes: unveiling the solubility phenomena XII Iberoamerican Conference on Phase Equilibria and Fluid Properties for Process Design (Equifase 2022) and XI Brazilian Conference on Applied Thermodynamics (CBTermo 2022)
(Campinas, Brasil)
2022/10/01 Open-Source Sigma Profile Generation for Machine Learning Applications Fundamentals of Separation Science and Engineering
Gordon Research Seminar (Ventura, CA, Estados Unidos)
2022/09/26 Hydrophobic deep eutectic solvents based on 1,10-phenanthroline and their application in metal extraction International solvent extraction conference (ISEC 2022)
(Gothenburg, Suécia)
2022/09/26 Type V deep eutectic solvents: designing towards non-ideality International solvent extraction conference (ISEC 2022)
(Gothenburg, Suécia)
2022/09/26 The impact of size and shape in the performance of hydrotropes: a case-study of alkanediols International solvent extraction conference (ISEC 2022)
(Gothenburg, Suécia)
2022/09/06 Modelling Deep Eutectic Solvents with Sigma Profiles: from COSMO-RS to Deep Learning NaDES for biomass valorization: new insight of a green technology
(Online)
2022/05/16 Influence of DES on the formation of organic biphasic systems for separation of natural compounds 5th International Symposium on Green Chemistry (ISGC 2022)
(La Rochelle, França)
2022/05/16 Exploring 1,2 and 1,n-alkanediols as hydrotropes: the impact of size and shape in the performance of hydrotropes 5th International Symposium on Green Chemistry (ISGC 2022)
(La Rochelle, França)
2021/12/13 Sigma Profiles in Deep Learning: Towards a Universal Molecular Descriptor PAThlestra Series
University of Aveiro (Aveiro, Portugal)
2021/10/24 COSMO-RS to Design Deep Eutectic Solvents for Antioxidant Extraction 23º Congresso Brasileiro de Engenharia Química
(Gramado, Brasil)
2021/09/30 Alkanediols as efficient hydrotropes to enhance the aqueous solubility of syringic acid and their application for ultrasound-assisted extraction of phenolic compounds from juçara fruit 6th PATh Spring Workshop
(Aveiro, Portugal)
2021/09/30 A molecular perspective-guided solvent screening using COSMO-RS 6th PATh Spring Workshop
(Aveiro, Portugal)
2021/07/05 The Impact of the Counterion in the Performance of Ionic Hydrotropes 31st European Symposium on Applied Thermodynamics
(Online)
2021/06/15 A critical study on the influence of DES on the formation of organic biphasic systems 2nd International Meeting on Deep Eutectic Systems
(Online)
2019/11/20 Investigation on the solubility and other thermophysical properties of quaternary ammonium salts aqueous solutions XXV Encontro Galego-Portugués de Química
(Santiago de Compostela, Espanha)
2019/09/08 Terpene-based hydrophobic eutectic mixtures: approaches and perspectives 4th International Conference on Ionic Liquids in Separation and Purification Technology Conference (ILSEPT)
(Stiges, Espanha)
2019/07/07 Sustainable Hydrophobic Terpene-Terpene Eutectic Mixtures 47th IUPAC World Chemistry Congress (IUPAC 2019)
(Paris, França)
2019/06/26 Can Cholinium Chloride form Eutectic Solvents with Organic Chloride-based Salts? 26th Thermodynamics Conference (Thermodynamics 2019)
(Huelva, Espanha)
2019/06/19 Can Cholinium Chloride form Eutectic Solvents with Organic Chloride-based Salts? 1st Ibero-American Congress of Chemical Engineering (CIBIQ)
(Santander, Espanha)
2019/05/13 Sustainable Hydrophobic Terpene-Terpene Eutectic Mixtures 4th International Symposium on Green Chemistry (ISGC 2019)
(La Rochelle, França)
2019/04/11 Modelling of Phase Equilibria of Eutectic Solvents and Ionic Liquids 4th Edition of Path Spring Workshop
University of Aveiro (Aveiro, Portugal)

Participação em evento

Descrição da atividade
Tipo de evento
Nome do evento
Instituição / Organização
2023/02/03 - 2023/02/03 2023 online iRASPA/RASPA workshop organized by David Dubbeldam, Sofia Calero, Randy Snurr, Juan José Gutierrez Sevillano, and Thijs J.H. Vlugt.
Oficina (workshop)
iRASPA/RASPA workshop
Technische Universiteit Delft, Países Baixos
2020/11/19 - 2020/11/20 Attended the event Jornadas CICECO 2020 – The Future of Science and CICECO, held online.
Simpósio
Jornadas CICECO 2020 – The Future of Science and CICECO
Universidade de Aveiro, Portugal
2020/09/21 - 2020/09/21 Attended
Oficina (workshop)
PATh/IonCytDevice Workshop - A Technological Perspective on Cancer from Diagnosis and Treatment to Environmental Fate and Remediation
Universidade de Aveiro, Portugal
2019/08/12 - 2019/08/23 PhD Summer Course
Oficina (workshop)
Advanced Course on Thermodynamic Models: Fundamentals & Computational Aspects
Danmarks Tekniske Universitet, Dinamarca
2018/10/11 - 2018/10/13 Participated in the outreach event “Techdays 2018” as an exhibitor for the CICECO – Aveiro Institute of Materials project Multibiorefinery.
Exposição
Techdays 2018
Câmara Municipal de Aveiro, Portugal
2018/06/08 - 2018/06/08 Attended
Oficina (workshop)
3rd Edition of PATh Spring Workshop
Universidade de Aveiro, Portugal
2017/12/06 - 2017/12/06 Short course/lecture.
Seminário
Análise de Riscos e Segurança Industrial
Ordem dos Engenheiros, Portugal
2017/09/04 - 2017/09/08 Summer Course
Oficina (workshop)
Integración del Diseño Molecular y la Simulación de Procesos en el Desarrollo de Nuevos Procesos y Productos Industriales
Universidad Autónoma de Madrid, Espanha
2017/06/08 - 2017/06/08 Attended
Oficina (workshop)
2nd Edition of PATh Spring Workshop
Universidade de Aveiro, Portugal

Curso / Disciplina lecionado

Disciplina Curso (Tipo) Instituição / Organização
2022/08 - 2022/12 Machine Learning for Chemical Engineers (Teaching Assistant) Chemical Engineering (Doutoramento) University of Notre Dame, Estados Unidos
2022/01 - 2022/05 Chemical Engineering Thermodynamics (Teaching Assistant) Chemical Engineering (Licenciatura) University of Notre Dame, Estados Unidos
2021/08 - 2021/12 Advanced Chemical Engineering Thermodynamics (Teaching Assistant) Chemical Engineering (Doutoramento) University of Notre Dame, Estados Unidos
2021/02 - 2021/05 Chemical Engineering Lab I (Teaching Assistant) Chemical Engineering (Licenciatura) University of Notre Dame, Estados Unidos

Entrevista (jornal / revista)

Descrição da atividade Jornal / Forum
2023/01/24 14 Students Receive Fellowships to Advance Clean Energy Research and Sustainable Solutions to Climate Change ND Energy (https://energy.nd.edu/news-events/news/14-students-receive-fellowships-to-advance-clean-energy-research-and-sustainable-solutions-to-climate-change/)
2020/06/19 Hydrotropy mechanism breakthrough highlighted on Nature Reviews Chemistry CICECO News (https://www.ciceco.ua.pt/?menu=255&tabela=geral_article&id_article=804&language=en)
2019/11/28 "Aveiro e Liverpool são os grandes vencedores do Datathon" (Jornal Expresso) e "Team wins Galp Datathon competition" (CICECO News) Jornal Expresso (https://expresso.pt/iniciativaseprodutos/pub/2013-11-26-Aveiro-e-Liverpool-sao-os-grandes-vencedores-do-Datathon) e CICECO News (https://www.ciceco.ua.pt/?menu=255&language=eng&tabela=geral_article&id_article=727)
2018/01/03 Dinis Abranches e a Engenharia Química: uma paixão com nota 20 Notícias UA (https://www.ua.pt/pt/noticias/0/53161)
2016/12/22 Estudantes de excelência do Departamento de Química veem o mérito premiado Notícias UA (https://www.ua.pt/pt/noticias/0/48923)

Expedição científica

Descrição da atividade Instituição / Organização
2016/07/18 - 2016/07/29 Team member (volunteer, 42 hours) of the 2nd archaeological work campaign in the Castro of Salreu, Portugal, held by Arouca Archaeological Center.

Membro de associação

Nome da associação Tipo de participação
2019 - 2020 5th year students of the Integrated Master’s in Chemical Engineering at the University of Aveiro Representative
2018 - 2019 4th year students of the Integrated Master’s in Chemical Engineering at the University of Aveiro. Representative
2017 - 2018 3rd year students of the Integrated Master’s in Chemical Engineering at the University of Aveiro. Representative

Revisão ad hoc de artigos em revista

Nome da revista (ISSN) Editora
2024 - Atual Molecules MDPI
2024 - Atual Liquids MDPI
2024 - Atual Journal of Molecular Liquids Elsevier
2023 - Atual Separations MDPI
2023 - Atual ACS Sustainable Chemistry & Engineering American Chemical Society
2023 - Atual Life MDPI
2023 - Atual International Journal of Molecular Sciences MDPI
2023 - Atual ChemEngineering MDPI
2022 - Atual The Journal of Chemical Thermodynamics Elsevier
2022 - Atual RSC Advances Royal Society of Chemistry
2022 - Atual Industrial & Engineering Chemistry Research American Chemical Society
2022 - Atual Journal of Molecular Graphics and Modelling Elsevier
2022 - Atual Crystal Growth & Design American Chemical Society
2022 - Atual New Journal of Chemistry Royal Society of Chemistry
2022 - Atual BMC Chemistry BioMed Central
2022 - Atual Journal of Solution Chemistry Springer
2022 - Atual Chemical Engineering Science Elsevier
2022 - Atual Journal of Computational Biophysics and Chemistry World Scientific
2021 - Atual European Journal of Pharmaceutical Sciences Elsevier
2021 - Atual The Journal of Physical Chemistry American Chemical Society
2021 - Atual AICHE Journal American Institute of Chemical Engineers
2021 - Atual Physical Chemistry Chemical Physics Royal Society of Chemistry
2021 - Atual The Journal of Chemical Physics American Institute of Physics
Distinções

Prémio

2023 CBE Outstanding Paper Award
University of Notre Dame, Estados Unidos
2023 Best Poster Communication – COIL 2023
2023 Best Poster Communication – ILMAT 2023
2022 Chemical Separations GRC Partial Registration Award
Gordon Research Conferences, Estados Unidos
2022 Best Poster Communication – FOMMS 2022
CACHE Corporation, Estados Unidos
2022 FOMMS 2022 Early Career Researcher Award
CACHE Corporation, Estados Unidos
2021 Delta Prize
Universidade de Aveiro, Portugal
2019 Merit Scholarship (Portuguese Government)
Governo da República Portuguesa, Portugal
2019 Merit Scholarship (Portuguese Government)
Governo da República Portuguesa, Portugal
2019 Best Poster Communication – CIBIQ 2019
2017 Merit Scholarship (University of Aveiro)
Universidade de Aveiro, Portugal
2016 Merit Scholarship (University of Aveiro)
Universidade de Aveiro, Portugal
2015 Merit Scholarship (University of Aveiro)
Universidade de Aveiro, Portugal

Título

2023 Patrick and Jana Eilers Fellow
University of Notre Dame, Estados Unidos

Outra distinção

2024 Trusted Reviewer - IJMS
MDPI AG, Suiça
2023 2023 PCCP HOT Articles (https://doi.org/10.1039/D3CP00701D)
Royal Society of Chemistry, Reino Unido
2022 2022 PCCP HOT Articles (https://doi.org/10.1039/D2CP00496H)
Royal Society of Chemistry, Reino Unido
2020 Issue Cover (https://pubs.acs.org/toc/iecred/59/41)
American Chemical Society, Estados Unidos
2019 Galp Datathon
Galp Energia SGPS SA, Portugal
2019 Feature Paper (https://doi.org/10.3390/molecules24203687)
MDPI AG, Suiça