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My areas of interest comprise the study of CO2 and ionic liquid-based systems from theoretical and chemoinformatic perspectives. These approaches provide rationalization to experimental results. The applications consist on: 1 - Phase-equilibrium studies, prediction and comprehension of the reasons behind a certain configuration's behaviour. 2 - Recognition of generical characteristics of Ionic Liquids and its mixtures that correspond to a certain physico-chemical property-profile and optimize predictive ability. 3 - Codification approaches, regarding straightforward model build-up, that permit to compare systems of different nature, different number of components and incorporate its respective compositions. 4 - Screening of reaction setup as to improve its thermodynamics profile. 5 - Descriptor Optimization 6 - Development of Chemoinformatic strategies based on Molecular Imprinted Polymers 7- Chemoinformatic approaches regarding data production, that complements/completes lack of information present in reference databases.
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Identification

Personal identification

Full name
Gonçalo Valente da Silva Mariño Carrera

Citation names

  • Carrera, G. V. S. M.

Author identifiers

Ciência ID
1C12-B386-75BD
ORCID iD
0000-0001-6978-3603

Email addresses

  • goncalo.carrera@gmail.com (Professional)
  • gvc11717@fct.unl.pt (Professional)

Telephones

Telephone
  • 212 948 30 Ext.: 10941 (Professional)

Addresses

  • Faculdade de Ciências e Tecnologia, Quinta da Torre, 2829-516, Caparica, Almada, Portugal (Professional)

Websites

Knowledge fields

  • Engineering and Technology - Chemical Engineering
  • Exact Sciences - Chemical Sciences
  • Exact Sciences - Chemical Sciences - Physical Chemistry
  • Exact Sciences - Chemical Sciences - Organic Chemistry

Languages

Language Speaking Reading Writing Listening Peer-review
Portuguese (Mother tongue)
Spanish; Castilian Advanced (C1) Advanced (C1) Advanced (C1) Proficiency (C2) Advanced (C1)
English Upper intermediate (B2) Advanced (C1) Advanced (C1) Advanced (C1) Advanced (C1)
Education
Degree Classification
2004 - 2009
Concluded
 Doutoramento em Química Orgânica e Químio-Informática (Doutoramento)
Major in Química Orgânica /Quimio-Informática
Universidade Nova de Lisboa, Portugal
"Propriedades Físico-Químicas de Líquidos Iónicos e estudos Quimio-Informáticos de Reactividade Química" (THESIS/DISSERTATION)
 Aprovado por Unanimidade
1999 - 2004
Concluded
 Química Aplicada (Licenciatura)
Major in Orgânica
Universidade Nova de Lisboa, Portugal
 17(20)
Affiliation

Science

Category
Host institution 		Employer
2018/12/19 - 2024/12/18 Researcher (Research) Universidade Nova de Lisboa Departamento de Química, Portugal
Universidade Nova de Lisboa Departamento de Química, Portugal
2011 - 2017 Postdoc (Research) Universidade Nova de Lisboa Departamento de Química, Portugal
Universidade Nova de Lisboa Departamento de Química, Portugal
2009 - 2011 Postdoc (Research) Universidade Nova de Lisboa Departamento de Química, Portugal
Universidade Nova de Lisboa Departamento de Química, Portugal
2010/09 - 2010/09 Postdoc (Research) Universidade Nova de Lisboa Departamento de Química, Portugal
Technische Universität Dortmund, Germany
2010/01 - 2010/01 Postdoc (Research) Universidade Nova de Lisboa Departamento de Química, Portugal
Université de Bourgogne, France

Teaching in Higher Education

Category
Host institution 		Employer
2024/10 - 2024/12 Lecturer (University Teacher) Universidade NOVA de Lisboa Faculdade de Ciências e Tecnologia, Portugal
Universidade NOVA de Lisboa Faculdade de Ciências e Tecnologia, Portugal
2024/01/22 - 2024/02/20 Lecturer (University Teacher) Universidade NOVA de Lisboa Faculdade de Ciências e Tecnologia, Portugal
Universidade NOVA de Lisboa Faculdade de Ciências e Tecnologia, Portugal
2023/10 - 2023/12 Lecturer (University Teacher) Universidade NOVA de Lisboa Faculdade de Ciências e Tecnologia, Portugal
Universidade NOVA de Lisboa Faculdade de Ciências e Tecnologia, Portugal
2022/10 - 2022/12 Lecturer (University Teacher) Universidade NOVA de Lisboa Faculdade de Ciências e Tecnologia, Portugal
Universidade NOVA de Lisboa Faculdade de Ciências e Tecnologia, Portugal
2021/10 - 2021/12 Lecturer (University Teacher) Universidade Nova de Lisboa Departamento de Química, Portugal
Universidade Nova de Lisboa Departamento de Química, Portugal
2011 - 2012 Tutor (University Teacher) Universidade Nova de Lisboa Departamento de Química, Portugal
Universidade Nova de Lisboa Departamento de Química, Portugal
2004 - 2004 Tutor (University Teacher) Universidade Nova de Lisboa Departamento de Química, Portugal
Projects

Grant

Designation Funders
2009/09 - 2011/04 Molecular Catalysis for Carbon Dioxide Incorporation into Glycerol
83739
 Fundação para a Ciência e a Tecnologia

Contract

Designation Funders
2018/10/01 - 2021/12/31 Artificial inteligence applied in phase equilibrium composition
PTDC/EQU-EQU/30060/2017
Principal investigator
NOVA.id FCT/UNL, Portugal
 FCT/MCTES
Concluded
2014 - 2015 REQUIMTE mini-project-CO2 capture and chemical transformation using ionic liquids
mini-projectos financiados pelo REQUIMTE-CQFB em 2014
Post-doc
REQUIMTE, Portugal
 N/A
Concluded
Outputs

Publications

Book chapter
  1. Gonçalo V. S. M. Carrera; Luis C. Branco; Manuel Nunes da Ponte. "Bio-Inspired Systems for Carbon Dioxide Capture, Sequestration and Utilization". In Recent Advances in Carbon Capture and Storage. Intech, 2017.
    Published • 10.5772/65861
  2. Carrera, Gonçalo V. S. M.; Malgorzata Zakrzewska; Ana Nunes; Luis C. Branco. "Solubility of Bioactive, Inorganic and Polymeric Solids in Ionic Liquids - Experimental and Prediction Perspectives". Croatia: Intech, 2015.
    Published • 10.5772/60501
  3. Luís C. Branco; Gonçalo V.S.M. Carrera; João Aires-de-Sousa; Ignacio Lopez Martin; Raquel Frade; Carlos A.M. Afonso. "Physico-Chemical Properties of Task-Specific Ionic Liquids". In Ionic Liquids. Intech, 2011.
    Published • 10.5772/15560
Conference paper
  1. Carrera, Gonçalo V. S. M.; Henrique da Costa; Luís C. Branco; Manuel Nunes da Ponte. "Aqueous Carboxylic Acid-Based Solutions for CO2 Capture". Paper presented in TechConnect World Innovation Washington-USA, 22-25 May 2016., Washington, 2016.
    Published
  2. Gonçalo V. S. M. Carrera; Multiple authors. "Atom efficiency in small molecule and macromolecule synthesis: general discussion". Paper presented in Faraday Discussions - Carbon Dioxide Utilisation, Shefield, 2015.
    Published • 10.1039/c5fd90079d
  3. Gonçalo V. S. M. Carrera; Multiple authors. "CO2 reduction reactions: general discussion". Paper presented in Faraday Discussions - Carbon Dioxide Utilisation, Shefield, 2015.
    Published • 10.1039/C5FD90080H
  4. Gonçalo V. S. M. Carrera; Multiple authors. "Capture agents, conversion mechanisms, biotransformations and biomimetics: general discussion". Paper presented in Faraday Discussions - Carbon Dioxide Utilisation, Shefield, 2015.
    Published • 10.1039/C5FD90082D
Conference poster
  1. Gonçalo V. S. M. Carrera; Noémi Jordão; Luís C. Branco; Manuel Nunes da Ponte. "Gels and Colloids of Cellulose based on Tetramethylguanidine". Paper presented in 2nd EUCHEMS Green and Sustainable Chemistry Conference, Lisboa, 4-7 October 2015, 2015.
  2. Luis C. Branco; Karolina Zalewska; Gonçalo Carrera; Manuel Nunes da Ponte. "Sustainable Approaches for Organic Synthetic Processes". Paper presented in MCMC2014, Moscow-Russia, 2014.
  3. Luis C. Branco; Karolina Zalewska; Gonçalo Carrera; Manuel Nunes da Ponte. "Green Solvents for Organic Synthetic Processes". Paper presented in IUPAC Green Chemistry Conference, Durban-South Africa, 2014.
  4. Gonçalo V. S. M. Carrera; Manuel Nunes da Ponte*; Luis C. Branco*. "Novel methodologies to Prepare Amino Acid Based Ionic Liquids and Molten Salts Using CO2 and Organic Superbases". Paper presented in 5th International Congress on Ionic Liquids (COIL-5) Vilamoura, 2013.
  5. G. V. S. M. Carrera; M. Nunes da Ponte*; L. C. Branco*. "Reversible Ionic Liquids Using CO2: Mono- to Multiple Functionalization". Paper presented in CO2-Forum, Lyon-France, 2012.
  6. G. V. S. M. Carrera; M. Nunes da Ponte*; L. C. Branco*. "Synthesis of Reversible Carbamate Based Ionic Liquids and Molten Salts – Mono to Multiple Functionalization". Paper presented in 6th SPJOCS, Lisboa, 2012.
  7. Carrera, G.V.S.M.; S. Dias; A. Costa; A. Forte; M.N. Ponte ; L.C. Branco*. "Functional Task Specific Ionic Liquids". Paper presented in International Workshop on Ionic Liquids–Seeds for New Engineering Applications, Lisboa, 2012.
  8. G. V. S. M. Carrera; L. C. Branco; Afonso, C.A.M.. "Interfacial properties, densities and contact angles of Task Specific Ionic Liquids". Paper presented in 1st Meeting on Ionic Liquids, Aveiro, 2009.
  9. R. Costa; G. V. S. M. Carrera; C. A. M. Afonso; L. C. Branco*. "Study of Physical and Chemical Properties of Novel Ionic Liquids". Paper presented in 1st Iberian Meeting on Ionic Liquids, Aveiro, 2009.
  10. G. Carrera; C. M. Afonso; J. Aires-de-Sousa*. "Modelo QSPR para previsão de pontos de fusão de sais de guanidinio baseado em redes de Counterpropagation". Paper presented in XX Encontro Nacional da Sociedade Portuguesa de Química, Monte de Caparica, Portugal, 2006.
  11. Carrera, G.V.S.M.; C. M. Afonso; J. Aires-de-Sousa*. "Counterpropagation Neural Network QSPR models of melting point for new guanidinium ionic liquids". Paper presented in 2nd German Conference on Chemoinformatics (Society of German Chemists GDCh), Goslar-Germany, 2006.
  12. Carrera, G.V.S.M.; C. M. Afonso; J. Aires-de-Sousa*. "Prediction of melting point and density of imidazolium ionic liquids - A QSPR study". Paper presented in 6º ENQO 6º Encontro Nacional de Química Orgânica, Braga, 2005.
  13. Carrera, G.V.S.M.; C. M. Afonso; J. Aires-de-Sousa. "QSPR study of melting point and density of imidazolium ionic liquids". Paper presented in 7th International Conference on Chemical Structures, Noordwijkerhout-Netherlands, 2005.
  14. G. Carrera, Q. Zhang, J. Aires-De-Sousa. "Estimation of melting points of pyridinium bromides with decision trees and neural networks". 2004.
Journal article
  1. Gonçalo V. S. M. Carrera*; Mariana L. Cruz; Kyrylo Klimenko; José M. S. S. Esperança; João Aires-de-Sousa. Corresponding author: Gonçalo V. S. M. Carrera*. "Prediction of the Phase Composition Profile of Three-Compound Mixtures in Liquid-Liquid Equilibrium: A Chemoinformatics Approach". ChemPhysChem 23 (2022): e202200300. https://doi.org/10.1002/cphc.202200300.
    Published • 10.1002/cphc.202200300
  2. Gonçalo V. S. M. Carrera*. Corresponding author: Gonçalo V. S. M. Carrera*. "The Melting Point Profile of Organic Molecules: A Chemoinformatic Approach". Advanced Theory and Simulations 5 (2022): 2200503. https://doi.org/10.1002/adts.202200503.
    Published • 10.1002/adts.202200503
  3. Kyrylo Klimenko; Gonçalo V. S. M. Carrera. "QSPR modeling of selectivity at infinite dilution of ionic liquids". Journal of Cheminformatics (2021): https://jcheminf.biomedcentral.com/articles/10.1186/s13321-021-00562-8.
    Open access • Published • 10.1186/s13321-021-00562-8
  4. Gonçalo V. S. M. Carrera; João da Inês; Carlos E. S. Bernardes; Kyrylo Klimenko; Karina Shimizu; José N. Canongia Lopes. Corresponding author: Gonçalo V. S. M. Carrera. "The Solubility of Gases in Ionic Liquids: A Chemoinformatic Predictive and Interpretable Approach". ChemPhysChem 22 (2021): 1-12. https://chemistry-europe.onlinelibrary.wiley.com/doi/10.1002/cphc.202100632.
    Published • 10.1002/cphc.202100632
  5. Kyrylo Klimenko; Joao M. Inês; Jose M. S. S. Esperança; Joao Aires-de-Sousa; Gonçalo V. S. M. Carrera. Corresponding author: Kyrylo Klimenko. "SelinfDB: A Database of Selectivity at Infinite Dilution for LiquidLiquid Extraction". Industrial & Engineering Chemistry Research 60 22 (2021): 8209-8217. https://pubs.acs.org/doi/10.1021/acs.iecr.1c00326.
    Published • 10.1021/acs.iecr.1c00326
  6. Gonçalo V. S. M. Carrera*; Manuel Nunes da Ponte. Corresponding author: Gonçalo V. S. M. Carrera*. "Machine-Learning Approaches to Tune Descriptors and Predict the Viscosities of Ionic Liquids and Their Mixtures". Chemistry-Methods 1 (2020): 214-223. https://doi.org/10.1002/cmtd.202000031.
    Open access • Published • 10.1002/cmtd.202000031
  7. Kyrylo Klimenko; João Miguel Inês; José Manuel Silva Simões Esperança; Luís Paulo Nieto Rebelo; João Aires-de-Sousa; Gonçalo V. S. M. Carrera. "QSPR Modeling of Liquid-liquid Equilibria in Two-phase Systems of Water and Ionic Liquid". Molecular Informatics 39 9 (2020): 2000001. https://doi.org/10.1002/minf.202000001.
    Published • 10.1002/minf.202000001
  8. Gonçalo V. S. M. Carrera; Manuel Nunes da Ponte; Luís P. N. Rebelo; Karina Shimizu. Corresponding author: Gonçalo V. S. M. Carrera. "Cover Feature: Chemoinformatic Approaches To Predict the Viscosities of Ionic Liquids and Ionic Liquid-Containing Systems (ChemPhysChem 21/2019)". ChemPhysChem 20 21 (2019): 2720-2720. https://doi.org/10.1002/cphc.201900978.
    Published • 10.1002/cphc.201900978
  9. Carrera, Gonçalo V. S. M.*; Nunes da Ponte, Manuel; Rebelo, Luís P. N.. Corresponding author: Carrera, Gonçalo V. S. M.*. "Chemoinformatic Approaches To Predict the Viscosities of Ionic Liquids and Ionic Liquid-Containing Systems". ChemPhysChem 20 21 (2019): 2767-2773. http://dx.doi.org/10.1002/cphc.201900593.
    Published • 10.1002/cphc.201900593
  10. Miguel M. Santos; G. V. S. M. Carrera; A. Costa; M. Dionísio; P. V. Baptista; A. R. Fernandes; L. C. Branco. "Ionic Liquids and Salts from Ibuprofen as Promising Innovative Formulations of an Old Drug". ChemMedChem 14 (2019): 9907-9911. https://onlinelibrary.wiley.com/doi/abs/10.1002/cmdc.201900040.
    Published • doi.org/10.1002/cmdc.201900040
  11. Gonçalo V. S. M. Carrera*; Z. P. Visak; R. M. Lukasik; Manuel Nunes da Ponte. Corresponding author: Gonçalo V. S. M. Carrera*. "CO2 + Methanol + Glycerol: Multiphase behaviour". The Journal of Supercritical Fluids 141 (2018): 260-264. https://www.sciencedirect.com/science/article/pii/S0896844617307404.
    Published • 10.1016/j.supflu.2017.12.032
  12. Gonçalo V. S. M. Carrera; Anabela Raymundo; Francisco M. Braz Fernandes; Noémi Jordão; Isabel Sousa; Manuel Nunes da Ponte; Luis C. Branco. Corresponding author: Gonçalo V. S. M. Carrera. "Tetramethylguanidine-based gels and colloids of celulose". Carbohydrate Polymers 169 (2017): 58-64. http://www.sciencedirect.com/science/article/pii/S014486171730348X.
    Published • 10.1016/j.carbpol.2017.03.084
  13. G. V. S. M. Carrera; M. Santos; A. Costa; I. M. Marrucho; Manuel Nunes da Ponte; Luis C. Branco. "Highly water soluble room temperature superionic liquids of APIs". New Journal of Chemistry 41 (2017): 6986-6990. https://pubs.rsc.org/en/content/articlelanding/2017/nj/c7nj01398a.
    Published • 10.1039/C7NJ01398A
  14. G. V. S. M. Carrera*; Noémi Jordão; Luís C. Branco; Manuel Nunes da Ponte. Corresponding author: G. V. S. M. Carrera*. "CO2 Capture Systems Based On Saccharides and Organic Superbases". Faraday Discussions 183 (2015): 429-444. http://pubs.rsc.org/en/content/articlelanding/2015/fd/c5fd00044k#!divAbstract.
    Published • 10.1039/C5FD00044K
  15. Gonçalo V. S. M. Carrera; Noémi Jordão; Luis C. Branco; Manuel Nunes da Ponte. Corresponding author: Gonçalo V. S. M. Carrera. "CO2 capture and reversible release using mono-saccharides and an organic superbase". The Journal of Supercritical Fluids 105 (2015): 151-157. https://doi.org/10.1016/j.supflu.2015.02.015.
    Published • 10.1016/j.supflu.2015.02.015
  16. Gonçalo V. S. M. Carrera; Noemi Jordão; Miguel M. Santos; Manuel Nunes da Ponte; Luis C. Branco. Corresponding author: Gonçalo V. S. M. Carrera. "Reversible systems based on CO2, amino-acids and organic superbases". RSC Advances 5 (2015): 35564-35571. http://pubs.rsc.org/en/Content/ArticleLanding/2015/RA/c5ra03474d#!divAbstract.
    Published • DOI: 10.1039/C5RA03474D
  17. A. V. M. Nunes; G. V. S. M. Carrera; V. Najdanovic-Visak; M. Nunes da Ponte. "Solubility of CO2 in glycerol at high pressures". Fluid Phase Equilibria 358 (2013): 105-107. http://www.scopus.com/inward/record.url?eid=2-s2.0-84883458582&partnerID=MN8TOARS.
    Published • 10.1016/j.fluid.2013.07.051
  18. Gonçalo V. S. M. Carrera; Alexandra Costa; Manuel Nunes da Ponte; Luis C. Branco. "Use of Organic Superbases and Temperature Effects for the Development of Reversible Protic Amino Acid Salts". Synlett 24 (2013): 2525-2530. http://www.scopus.com/inward/record.url?eid=2-s2.0-84885568206&partnerID=MN8TOARS.
    Published • 10.1055/s-0033-1339880
  19. Carrera, G.V.S.M.; Da Ponte, M.N.; Branco, L.C.. "Synthesis and properties of reversible ionic liquids using CO 2, mono- to multiple functionalization". Tetrahedron 68 36 (2012): 7408-7413. http://www.scopus.com/inward/record.url?eid=2-s2.0-84864290091&partnerID=MN8TOARS.
    Published • 10.1016/j.tet.2012.06.082
  20. Podila, S.; Plasseraud, L.; Cattey, H.; Ballivet-Tkatchenko, D.; Carrera, G.V.S.M.; Nunes Da Ponte, M.; Neuberg, S.; Behr, A.. "Synthesis of 1,2-glycerol carbonate from carbon dioxide: The role of methanol in fluid phase equilibrium". Indian Journal of Chemistry - Section A Inorganic, Physical, Theoretical and Analytical Chemistry 51 9-10 (2012): 1330-1338. http://www.scopus.com/inward/record.url?eid=2-s2.0-84866234051&partnerID=MN8TOARS.
    Published
  21. Carrera, G.V.S.M.; Visak, Z.; Bogel-Lukasik, R.; Nunes da Ponte, M.. "VLE of CO 2+glycerol+(ethanol or 1-propanol or 1-butanol)". Fluid Phase Equilibria 303 2 (2011): 180-183. http://www.scopus.com/inward/record.url?eid=2-s2.0-79952629292&partnerID=MN8TOARS.
    Published • 10.1016/j.fluid.2011.01.019
  22. M. N. da Ponte; A. Serbanovic; Z. Petrovski; M. Manic; C. S. Marques; G. V. S. M. Carrera; L. C. Branco; C. A. M. Afonso. "Melting behaviour of ionic salts in the presence of high pressure CO2". Fluid Phase Equilibria 294 1-2 (2010): 121-130. http://www.scopus.com/inward/record.url?eid=2-s2.0-77956877964&partnerID=MN8TOARS.
    Published • 10.1016/j.fluid.2010.03.015
  23. G. V. S. M. Carrera; R. F. M. Frade; J. Aires-de-Sousa; C. A. M. Afonso; L. C. Branco. "Synthesis and properties of new functionalized guanidinium based ionic liquids as non-toxic versatile organic materials". Tetrahedron 66 45 (2010): 8785-8794. http://www.scopus.com/inward/record.url?eid=2-s2.0-77957998361&partnerID=MN8TOARS.
    Published • 10.1016/j.tet.2010.08.040
  24. G. V. S. M. Carrera; C. A. M. Afonso; L. C. Branco. "Interfacial properties, densities, and contact angles of task specific ionic liquids". Journal of Chemical and Engineering Data 55 2 (2010): 609-615. http://www.scopus.com/inward/record.url?eid=2-s2.0-77249122513&partnerID=MN8TOARS.
    Published • 10.1021/je900502s
  25. M. P. G. Carracedo; G. V.S. M. Carrera; J. Aires-de-Sousa; J. G. Andrade. "Combining Kohonen neural networks and variable selection by classification trees to cluster road soil samples". Chemometrics and Intelligent Laboratory Systems 102 1 (2010): 20-34. http://www.scopus.com/inward/record.url?eid=2-s2.0-77953121327&partnerID=MN8TOARS.
    Published • 10.1016/j.chemolab.2010.03.002
  26. Gonçalo V. S. M. Carrera; Sunil Gupta; Joao Aires-de-Sousa. "Machine learning of chemical reactivity from databases of organic reactions". Journal of Computer-Aided Molecular Design 23 7 (2009): 419-429. http://www.scopus.com/inward/record.url?eid=2-s2.0-67649791997&partnerID=MN8TOARS.
    Published • 10.1007/s10822-009-9275-2
  27. Carrera, G.V.S.M.; Branco, L.C.; Aires-de-Sousa, J.; Afonso, C.A.M.. "Exploration of quantitative structure-property relationships (QSPR) for the design of new guanidinium ionic liquids". Tetrahedron 64 9 (2008): 2216-2224. http://www.scopus.com/inward/record.url?eid=2-s2.0-38549143156&partnerID=MN8TOARS.
    Published • 10.1016/j.tet.2007.12.021
  28. Zhang, Q.-Y.; Carrera, G.; Gomes, M.J.S.; Aires-de-Sousa, J.. "Automatic assignment of absolute configuration from 1D NMR data". Journal of Organic Chemistry 70 6 (2005): 2120-2130. http://www.scopus.com/inward/record.url?eid=2-s2.0-15444370403&partnerID=MN8TOARS.
    Published • 10.1021/jo048029z
  29. Carrera, Gonçalo; Joao Aires-de-Sousa. Corresponding author: Joao Aires-de-Sousa. "Estimation of melting points of pyridinium bromide ionic liquids with decision trees and neural networks". Green Chemistry 7 1 (2005): 20-27. http://www.scopus.com/inward/record.url?eid=2-s2.0-13144260675&partnerID=MN8TOARS.
    Published • 10.1039/b408967g

Intellectual property

Patent
  1. Carrera, Gonçalo. 2015. "Método de obtenção de géis hidrosolúveis a partir de princípios activos com actividade farmacológica".

Other

Dataset
  1. Gonçalo Carrera; Mariana Cruz; Kyrylo Klimenko; J. M. S. S. Esperança; Joao Aires-de-Sousa. Phase behaviour profile of three compound mixtures in Liquid-Liquid Equilibrium.
    10.6084/m9.figshare.20402679
Other output
  1. CO2 + Methanol + Glycerol: Determination of the Compositions in VLLLE From a Synthetic Method-Based Experiment/Theoretical Procedure. 12th International Symposium on Supercritical Fluids, Antibes Juan Les Pins-France, 22-25 April 2018. 2018. Gonçalo V. S. M. Carrera; Manuel Nunes da Ponte.
  2. Phase Behaviour of the System CO2 + methanol + glycerol. Conference Proceeding EMSF, Lisboa, 25-28 April 2017.. 2017. Carrera, Gonçalo V. S. M.; Zoran P. Visak; Rafal Bogel-Lukasik; Manuel Nunes da Ponte.
  3. Reversible Task-Specific Ionic Liquids From Chiral Pool Using CO2 and Organic Superbases. Conference Proceedings, 14th European Meeting in Supercritical Fluids, Marseilhe-France, 18-21 May 2014.. 2014. Gonçalo V. S. M. Carrera*; Noémi Jordão; Manuel Nunes da Ponte; Luís C. Branco.
  4. 1,2-Glycerol Carbonate From Carbon Dioxide and Glycerol: Influence Of The Equilibrium Constant and Phase Behaviour. Conference Proceedings 6th International Symposium on High Pressure Processes Technology, Belgrade-Servia, 8-11 September 2013.. 2013. Gonçalo V. S. M. Carrera; Alexandre Paiva; Manuel Nunes da Ponte*.
  5. Physico-Chemical Properties of Task-Specific Ionic Liquids. ChemInform Abstract: Physico-Chemical Properties of Task-Specific Ionic Liquids, 44 (31), 2013, DOI: 10.1002/chin.201331265. 2013. Luis C. Branco; Gonçalo V. S. M. Carrera; Joao Aires-de-Sousa; Ignacio Lopez Martin; Raquel Frade; Carlos A. M. Afonso. https://onlinelibrary.wiley.com/doi/10.1002/chin.201331265.
    10.1002/chin.201331265
  6. Melting Behavior of Ionic Salts in the Presence of High-Pressure CO2. ChemInform Abstract: Melting Behavior of Ionic Salts in the Presence of High-Pressure CO2, 42(18), 2011, DOI: 10.1002/chin.201118254.. 2011. Ana Serbanovic; Zeljko Petrovski; Marina Manic; Carolina S. Marques; Gonçalo V. S. M. Carrera; Luis C. Branco; Carlos A. M. Afonso; Manuel Nunes da Ponte.
    10.1002/chin.201118254
Software
  1. Carrera, Gonçalo V. S. M.; Qing-You Zhang; João Aires-de-Sousa. "1-MOLMAPs: ACPExtractMarvin". 2024.
    10.6084/m9.figshare.27637707
  2. Carrera, Gonçalo V. S. M.; Qing-You Zhang; João Aires-de-Sousa. "3-MOLMAPs: Cutmapz.exe". 2024.
    10.6084/m9.figshare.27700074
  3. Carrera, Gonçalo V. S. M.. "2-MOLMAPs: Atom-binary inter/intra-component interaction - InterIntra.class". 2024.
    10.6084/m9.figshare.27698820
  4. Gonçalo V. S. M. Carrera. "Atom-Molecule-Descriptor-Profile". 1.1.3. Universidade NOVA de Lisboa Faculdade de Ciências e Tecnologia. Github. 2023.
  5. Gonçalo Carrera. "Grouping datapoints sharing common features in validation-based Machine-Learning approaches". 2023.
    10.6084/m9.figshare.24033726
  6. Gonçalo Carrera. "Leave-one-out Procedure in Machine-Learning Approaches". 2023.
    10.6084/m9.figshare.24033435
Activities

Oral presentation

Presentation title Event name
Host (Event location)
2024/07/31 Machine-Learning approach and melting point profile on the 3D-structural configuration of 2,4-dichlorophenoxyacetic acid
Sciknowledge/ISEL (Lisboa, Portugal)
2023/11/17 New codification approach in order to predict and access the phase behaviour profile of a generical chemical system
Sciwide Webinars (Online, India)
2023/04/05 Comprehensive Chemoinformatic Approach on the Melting Point Profile of Organic Molecules 15 Encontro Nacional de Química-Física
Sociedade Portuguesa de Química (Online)
2022/08 Phase Behavior Profile of a Generical Three-Compound Mixture: A Chemoinformatic Approach 8th EuCheMS Chemistry Congress, Lisboa-Portugal
Chemistry Portuguese Society, SPQ (Lisboa, Portugal)
2021/05 Prediction and Interpretation of the Solubility of Gases in Ionic Liquids: A Chemoinformatic Approach IMIL 2021 – 6th Iberoamerican Meeting on Ionic Liquids,-Chile
(Online Conference, Chile)
2019/05 Chemoinformatic methodology on the viscosity prediction of ionic liquids and related systems International Conference on Ionic Liquids (COIL 8)
Chinese Academy of Sciences (Pekin, China)
2018/08 Artificial Intelligence Integrative Models for the Prediction and Interpretation of Viscosities of Ionic Liquids and their Mixtures 7th EuCheMS, Chemistry Congress, England
Royal Society of Chemistry (Liverpool, United Kingdom)
2018/04 CO2 + Methanol + Glycerol: Determination of the Compositions in VLLLE From a Synthetic Method-Based Experiment/Theoretical Procedure 12th International Symposium on Supercritical Fluids, France
(Antibes Juan Les Pins, France)
2017/04 Phase Behaviour of the System CO2 + methanol + glycerol 16th European Meeting on Supercritical Fluids, Lisboa
(Lisboa, Portugal)
2016/09 Sustainable Carbon Dioxide Capture and Conversion Processes 6th International IUPAC Conference on Green Chemistry, Italy
IUPAC (Veneza, Italy)
2016/05 Aqueous Carboxylic Acid-Based Solutions for CO2 Capture TechConnect World Innovation Conference & Expo, USA
(Washington DC, United States)
2015/09 CO2 Capture Systems Based On Saccharides and Organic Superbases Faraday Discussions, Royal Society of Chemistry, England
Royal Society of Chemistry (Sheffield, United Kingdom)
2015/07 Natural Chiral Organic Salts for Assymetric Catalysis XIX European Symposium on Organic Chemistry, Portugal
(Lisboa, Portugal)
2014/05 Reversible Task-Specific Ionic Liquids From Chiral Pool Using CO2 And Organic Superbases 14th European Meeting in Supercritical Fluids, France
(Marseilhe, France)
2013/09 1,2-Glycerol Carbonate From Carbon Dioxide and Glycerol: Influence Of The Equilibrium Constant and Phase Behaviour 6th International Symposium on High Pressure Processes Technology, Servia
(Belgrade, Serbia)
2013/09 Carbon Dioxide Approaches for Organic Synthetic Processes 10º Encontro Nacional de Química Orgânica/1º Simpósio Luso-Brasileiro de Química Orgânica, Portugal
(Lisboa, Portugal)
2013/08 Innovative Active Pharmaceutical Drugs as Ionic Liquids 44th IUPAC World Chemistry Congress, Turkey
IUPAC (Istambul, Turkey)
2011/06 Thermodynamic Studies for the Synthesis of 1,2-Glycerol Carbonate From CO2 and Glycerol 11th International Conference on Carbon Dioxide Utilization, France
(Dijon, France)
2011 Synthesis of amine-based ionic liquids and molten salts using CO2 XVII Encontro Galego Portugués de Química, España
(Pontevedra, Spain)
2008/11 Machine Learning of Chemical Reactivity from Databases of Organic Reactions 1º Encontro Nacional de Química Terapêutica, Portugal
(Porto, Portugal)
2008/06 Aprendizagem automática com bases de dados de reacções químicas: estimativas de reactividade XXI Encontro Nacional da Sociedade Portuguesa de Química, Portugal
(Porto, Portugal)

Supervision

Thesis Title
Role 		Degree Subject (Type)
Institution / Organization
2020/10/15 - 2021/12/31 Project: ARTificial INTELligence applied in PHASe EQuilibrium composition. Collaborator with PhD degree (2018-2021) as PI
Co-supervisor
NOVA.id FCT/UNL, Portugal
2019/03/15 - 2021/12/31 Project: ARTificial INTELligence applied in PHASe EQuilibrium composition. Collaborator with PhD degree
Supervisor
NOVA.id FCT/UNL, Portugal
2019/03/01 - 2021/03/31 Project: ARTificial INTELligence applied in PHASe EQuilibrium composition Collaborator with Msc degree
Supervisor
NOVA.id FCT/UNL, Portugal
2020/05/15 - 2020/08/31 Project: ARTificial INTELligence applied in PHASe EQuilibrium composition. Collaborator with PhD degree
Co-supervisor
NOVA.id FCT/UNL, Portugal
2018/12/15 - 2019/01/31 Project: ARTificial INTELligence applied in PHASe EQuilibrium composition. Collaborator with Msc degree.
Supervisor
NOVA.id FCT/UNL, Portugal
2016/02 - 2016/03 The combined use of carboxylic acids and organic superbases in order for water activation and improved reactivity with CO2.
Supervisor
 Chemical and Biochemical Engineering (Scientific initiation)
Universidade NOVA de Lisboa Faculdade de Ciências e Tecnologia, Portugal
2016/02 - 2016/03 Use of organic superbases in order for component separation from industrially relevant mixtures of squalene, fatty acids and related products.
Supervisor
 Chemical and Biochemical Engineering (Scientific initiation)
Universidade NOVA de Lisboa Faculdade de Ciências e Tecnologia, Portugal

Event organisation

Event name
Type of event (Role) 		Institution / Organization
2023/11/17 - Current Chair in Sciwide Webinar (2023) (2023/11/17)
Conference (Other)

Event participation

Activity description
Type of event 		Event name
Institution / Organization
2024/07/23 - Current Workshop on multiple aspects CO2 utilization
Workshop
Universidade NOVA de Lisboa Faculdade de Ciências e Tecnologia, Portugal
2024/04/19 - Current Volunteer in the dissemination of the research activity in NOVA School of Science and Technology
Exhibition
 EXPO FCT (2024)
Universidade NOVA de Lisboa Faculdade de Ciências e Tecnologia, Portugal
2016/06/16 - Current The participation in a FCT/UNL workshop as speaker, comprising new chemical systems for CO2 capture (2016).
Workshop
 1st Workshop CO2 LAQV REQUIMTE
Universidade NOVA de Lisboa Faculdade de Ciências e Tecnologia, Portugal
2023 - 2023 EXPO-FCT (2023). Dissemination of the educative/research offer of NOVA School of Science and Technology (FCT/UNL) to high-school students.
Exhibition
 EXPO-FCT (2023).
Universidade NOVA de Lisboa Faculdade de Ciências e Tecnologia, Portugal
2022 - 2022 Encontro Ciência 2022 a forum that gathers researchers, entrepreneurs and the civil society.
Meeting
 Encontro Ciência 2022
Fundação para a Ciência e a Tecnologia, Portugal

Ciência Viva, Portugal
2019 - 2019 Steam Academy (2019). Dissemination of the educative/research offer of NOVA School of Science and Technology (FCT/UNL) to high-school students.
Exhibition
Universidade NOVA de Lisboa Faculdade de Ciências e Tecnologia, Portugal
2019 - 2019 Chair in a Session of Properties, Thermodynamics and Simulation - COIL 8 - International Conference on Ionic Liquids, Pekin-China 13-17 May 2019.
Conference

Course / Discipline taught

Academic session Degree Subject (Type) Institution / Organization
2024/10/02 - 2024/12/04 Chemistry C (General Chemistry) Teaching three lab classes (2h. each) Química C (General Chemistry) (Licenciatura) Universidade Nova de Lisboa Departamento de Química, Portugal
2024/01/22 - 2024/02/20 CTCT - Transversal Competences on Science and Technology Transversal to all courses (Licenciatura) Universidade NOVA de Lisboa Faculdade de Ciências e Tecnologia, Portugal
2023/09/29 - 2023/12/05 Chemistry C - Lective activity in the lab - three lab activities of 2 h each. Chemistry C (Licenciatura) Universidade NOVA de Lisboa Faculdade de Ciências e Tecnologia, Portugal
2022/10/14 - 2022/12/14 Chemistry C - Lective activity in the lab, three activities, 2h each. Chemistry C (Licenciatura) Universidade NOVA de Lisboa Faculdade de Ciências e Tecnologia, Portugal
2021/10/29 - 2021/12/15 Chemistry C - 2 lab activities, 2 h each. Chemistry C (Licenciatura) Universidade NOVA de Lisboa Faculdade de Ciências e Tecnologia, Portugal
2011/10/25 - 2011/12/13 Chemistry I B - 3 lab activities of 4h each Chemistry I B (Licenciatura) Universidade NOVA de Lisboa Faculdade de Ciências e Tecnologia, Portugal
2004 - 2004 Chemistry II - Labs and Teorical-Practical classes of general Organic Chemistry as a prize (2nd best student of Applied Chemistry 2003/2004 Chemistry II (Licenciatura) Universidade NOVA de Lisboa Faculdade de Ciências e Tecnologia, Portugal

Journal scientific committee

Journal title (ISSN) Publisher
2023 - Current Frontiers in Chemistry - Molecular Liquids Frontiers
Distinctions

Award

2004 Second best student of Applied Chemistry (2003/2004 - FCT/UNL).
Universidade Nova de Lisboa, Portugal