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Ricardo G. Simões is an Invited Assistant Professor at Faculdade de Ciências of the Universidade de Lisboa (FCUL). He completed his PhD in Chemistry in 2013, with a specialization in Physical-Chemistry, studying structure-energetics relations in 4’-hydroxybenzaldehyde and simvastatin. His research is focused on the study of crystallization processes and polymorphism. He co-authored 13 articles, with 159 citations and an h-index of 8, on topics including crystallization, pharmaceutical compounds, thermodynamics, polymorphism, crystal engineering and solubility. In 2016 he was accepted as a postdoc researcher at the Université Libre de Bruxelles (ULB) in Belgium, gaining experience on the crystallization of organic compounds in thin-films and in synchrotron radiation X-ray diffraction measurements (at the BESSY II facilities in Berlin Germany). From 2017 onwards he joined the Centro de Química Estrutural (CQE), Faculdade de Ciências da Universidade de Lisboa, as a researcher analyzing how small variations in molecular structure impact the crystal packing, polymorphic behavior, and properties of organic molecular materials. From 2018 to 2022 he incorporated the Mol2Cryst Project (From Molecules to Crystals, LISBOA-01-0145-FEDER-028401) aimed at understanding several aspects of polymorphism and crystallization. In 2021 he was awarded the 2020 Franzosini Award by the Subcommittee on Solubility and Equilibrium Data (SSED) of IUPAC. Ricardo G. Simões was a lecturer of the General Chemistry and Chemistry courses (laboratory classes; BSc in Geology, Physics, and Biology) and the Physical-Chemistry course (laboratory classes; BSc in Biochemistry) at FCUL. He also took part in outreach activities, such as the “Ser Cientista” program at FCUL, aimed at high-school students.
Identification

Personal identification

Full name
Ricardo Alexandre Gravata Simões

Citation names

  • Simões, Ricardo G.

Author identifiers

Ciência ID
1F13-74A7-2D88
ORCID iD
0000-0003-4989-4087

Knowledge fields

  • Exact Sciences - Chemical Sciences - Physical Chemistry

Languages

Language Speaking Reading Writing Listening Peer-review
English Advanced (C1) Advanced (C1) Advanced (C1) Advanced (C1)
French Beginner (A1) Beginner (A1) Beginner (A1) Beginner (A1)
Portuguese Advanced (C1) Advanced (C1) Advanced (C1) Advanced (C1)
Education
Degree Classification
2013
Concluded
Chemisty (Physical Chemistry) (Doutoramento)
Universidade de Lisboa Faculdade de Ciências, Portugal
"Thermodynamic and Structural Studies of 4-Hydroxybenzaldehyde and Simvastatin" (THESIS/DISSERTATION)
Aprovado com Distinção e Louvor
2008
Concluded
Chemistry (Mestrado)
Universidade de Lisboa Faculdade de Ciências, Portugal
"Desenvolvimento de um Método Analítico para o Doseamento de Cálcio, Fósforo e Ião Hidroxilo na Hidroxiapatite" (THESIS/DISSERTATION)
18
2007
Concluded
Chemistry (Licenciatura)
Universidade de Lisboa Faculdade de Ciências, Portugal
"Síntese e Caracterização de Apatites" (THESIS/DISSERTATION)
15
Affiliation

Science

Category
Host institution
Employer
2019/02/01 - Current Postdoc (Research) Universidade de Lisboa Centro de Química Estrutural, Portugal
2017/02/01 - 2019 Postdoc (Research) Universidade de Lisboa Centro de Química e Bioquímica, Portugal

Others

Category
Host institution
Employer
2016/01/01 - 2016/12/31 Post-doc researcher Université Libre de Bruxelles Laboratoire de Chimie des Polymères, Belgium
2008 - 2013 PhD. Student Universidade de Lisboa Centro de Química e Bioquímica, Portugal
Projects

Other

Designation Funders
2018/06/01 - Current From Molecules to Crystals: Understanding the Key Factors that Govern the Observation of Crystal Structures
LISBOA-01-0145-FEDER-028401
Researcher
Universidade de Lisboa Centro de Química Estrutural, Portugal
Ongoing
2008/03/01 - 2013 POLYMORPHISM IN ORGANIC MOLECULAR SOLIDS: STRUCTURE AND ENERGETICS
PTDC/QUI-QUI/098216/2008
Researcher
Universidade de Lisboa Centro de Química e Bioquímica, Portugal
Fundação para a Ciência e a Tecnologia
Concluded
Outputs

Publications

Conference poster
  1. Simões, Ricardo G.; Diogo, Hermínio P.; Minas da Piedade, M. E.. Corresponding author: Simões, Ricardo G.. "Jumping Crystals: Thermosalient Effect Associated with a Solid-solid Phase Transition in 4'-Hydroxybutyrophenone". Paper presented in 15th National Physical Chemistry Meeting (15ENQF), 2023.
  2. Simões, Ricardo G.; Bernardes, Carlos E. S.; Piedade, M. Fatima M.; Diogo, Hermínio P.; Minas da Piedade, M. E.. Corresponding author: Simões, Ricardo G.. "Crystals, glasses, and gels: controlling solid state forms of simvastatin". 2022.
  3. Simões, Ricardo G.; Lopes, Cátia S. D.; Bernardes, Carlos E. S.; Piedade, M. Fatima M.; Diogo, Hermínio P.; Minas da Piedade, M. E.. Corresponding author: Simões, Ricardo G.. "Systematic studies of polymorphism in structurally related compounds: the 4-hydroxybenzoyl family". 2021.
  4. Simões, Ricardo G.; Melo, Pedro L. T.; Bernardes, C. E. S.; Heilmann, M. T.; Emmerling, F.; Minas da Piedade, M. E.. "Linking Aggregation in Solution, Solvation, and Solubility of Simvastatin". Paper presented in 14º Encontro Nacional de Química-Física, 2021.
  5. Simões, Ricardo G.; Lopes, C. S. D.; Piedade, M. F. M.; Bernardes, C. E. S.; Diogo, H. P.; Minas da Piedade, M. E.. "Polymorphism in 4'-Hydroxyvalerophenone: A Structure/Energetics/Dynamics Perspective". Paper presented in BCA/BACG Spring Meeting, 2021.
  6. Piedade, M. F. M.; Simões, Ricardo G.; Lopes, C. S. D.; Bernardes, C. E. S.; Minas da Piedade, M.E.; Simões, Ricardo; Minas da Piedade, M. E.. "Screening Polymorphism in 4-HOC6H4COR Compounds". Paper presented in BACG - 50 2019 Annual Conference of the BACG-British Association for Crystal Growth, 2019.
  7. Simões, Ricardo; Lopes, C. S. D.; Bernardes, C. E. S.; Piedade, M. F. M.; Minas da Piedade, M. E.. "Packing Energetics in 4-HOC6H4COR Compounds: The Influence of the Side Chain". Paper presented in 49th Annual Meeting of the British Association for Crystal Growth, Limmerick, Ireland, 2018, 2018.
  8. Joseph, A.; Simões, Ricardo; Lopes, C. S. D.; Bernardes, C. E. S.; Piedade, M. F. M.; Diogo, H. P.; Minas da Piedade, M. E.. "Energetics of Polymorphic Phase Transitions in 4-Hydroxybenzoyl and Statin Systems". Paper presented in XLII JEEP, Conference on Phase Equilibria, 2016, Paris, France, 2016.
  9. Piedade, M. F. M.; Simões, Ricardo; Lopes, C. S. D.; Bernardes, C. E. S.; Diogo, H. P.; Minas da Piedade, M. E.. "Polymorphism or Thermal Disorder in 4-Hydroxyheptanophenone?". Paper presented in XLII JEEP, Conference on Phase Equilibria, Paris, France, 2016, 2016.
  10. Lopes, C. S. D.; Simões, Ricardo; Piedade, M. F. M.; Bernardes, C. E. S.; Diogo, H. P.; Minas da Piedade, M. E.. "Polymorphism in 4-Hydroxybenzoyl Compounds". Paper presented in 2016 Annual Conference of the BACG-British Association for Crystal Growth, Leeds, UK, 2016, 2016.
  11. Bernardes, C. E. S.; Simões, Ricardo; Range, S.; Epple, M.; Minas da Piedade, M. E.. "Size-Matters: An Experimental Study of the Influence of Particle Size on the Lattice Energy of NaCl Crystals". Paper presented in 2014 Annual Conference of the BACG-British Association for Crystal Growth, Leeds, UK, 2014.
  12. Diogo, H. P.; Simões, Ricardo; Bernardes, C. E. S.; Minas da Piedade, M. E.; Piedade, M. F. M.. "Structural and Thermal Characterization of Simvastatin". Paper presented in 22nd International Conference on Chemical Thermodynamics, Búzios, Brasil, August 2012, 2012.
  13. Simões, Ricardo; Pinto, J.F.. "Stability of Simvastatin Under Different Atmospheric Humidity". Paper presented in 3rd Portuguese Young Chemists Meeting – 3PYCheM, Porto, Portugal, Maio de 2012, 2012.
  14. Oliveira, M. C.; Simões, Ricardo; Diogo, H. P.; Dias, A.; Bernardes, C. E. S.; Pinto, J. F.; Minas da Piedade, M. E.. "The Effect of Temperature and Atmosphere on the Stability of Crystalline Simvastatin". Paper presented in XVIII Encontro Luso-Galego de Química, Vila Real, Portugal, Novembro de 2012, 2012.
  15. Simões, Ricardo; Minas da Piedade, M. E.. "The Equilibrium Solubility of 4-Hydroxybenzaldehyde in Ethanol, Acetonitrile, and Ethyl Acetate". Paper presented in 2011 Annual Conference of the BACG-British Association for Crystal Growth, Londres, UK, 2011.
  16. Simões, Ricardo; Pinto, J.F.; Minas da Piedade, M.E.. "Dispersions of Simvastatin in Two Common Excipients: Production and Characterization". Paper presented in AAPS Annual Meeting and Exposition, Washington DC, USA, 2011, 2011.
  17. Simões, Ricardo; Pinto, J.F.. "Solid Dispersions of Simvastatin in Polyethyleneglycol and Parafin". Paper presented in 3rd PharmSciFair, Prague, Czech Republic, 2011, 2011.
  18. Simões, Ricardo; M. E. Minas da Piedade. "Solubility of 4-Hydroxybenzaldehyde in Acetonitrile and Ethanol". Paper presented in 21st International Conference on Chemical Thermodynamics, Tsukuba, Japão, 2010, 2010.
  19. Simões, Ricardo; Conceição, A. C. L.; Minas da Piedade, M. E.. "A Speciation Method for the Determination of the Hydroxyl Content in Hydroxyapatite". Paper presented in XXI Encontro Nacional da Sociedade Portuguesa de Química, Porto, Portugal, 2008, 2008.
Journal article
  1. Maria T. Heilmann; Ricardo. G. Simões; Carlos E. S. Bernardes; Yen Ramisch; Ralf Bienert; Matthias Röllig; Franziska Emmerling; Manuel E. Minas da Piedade. "Real-Time In situ XRD Study of Simvastatin Crystallization in Levitated Droplets". Crystal Growth & Design (2021): https://doi.org/10.1021/acs.cgd.1c00509.
    10.1021/acs.cgd.1c00509
  2. Ricardo G. Simões; Pedro L. T. Melo; Carlos E. S. Bernardes; Maria T. Heilmann; Franziska Emmerling; Manuel E. Minas da Piedade. "Linking Aggregation in Solution, Solvation, and Solubility of Simvastatin: An Experimental and MD Simulation Study". Crystal Growth & Design (2021): https://doi.org/10.1021/acs.cgd.0c01325.
    10.1021/acs.cgd.0c01325
  3. Ricardo G. Simões; Cátia S. D. Lopes; M. Fátima M. Piedade; Carlos E. S. Bernardes; Hermínio P. Diogo; Manuel E. Minas da Piedade. "Conformational and Nonconformational Polymorphism in 4'-Hydroxyvalerophenone: A Structure-Energetics-Dynamics Perspective". Crystal Growth & Design (2020): https://doi.org/10.1021/acs.cgd.9b01481.
    10.1021/acs.cgd.9b01481
  4. Ricardo G. Simões; Carlos E. S. Bernardes; Abhinav Joseph; M. Fátima M. Piedade; Werner Kraus; Franziska Emmerling; Hermíno P. Diogo; Manuel E. Minas da Piedade. "Polymorphism in Simvastatin: Twinning, Disorder, and Enantiotropic Phase Transitions". Molecular Pharmaceutics 15 11 (2018): 5349-5360. https://doi.org/10.1021/acs.molpharmaceut.8b00818.
    10.1021/acs.molpharmaceut.8b00818
  5. Ricardo G. Simões; Ingo Salzmann; Roland Resel; Christian Röthel; Yves H. Geerts. "Stabilization of the Metastable Form I of Piracetam by Crystallization on Silicon Oxide Surfaces". Crystal Growth & Design 18 7 (2018): 4123-4129. https://doi.org/10.1021/acs.cgd.8b00533.
    10.1021/acs.cgd.8b00533
  6. Silva, Ana L. R.; Morais, Victor M. F.; Ribeiro da Silva, Maria D. M. C.; Simoes, Ricardo G.; Bernardes, Carlos E. S.; Piedade, M. Fatima M.; Minas da Piedade, Manuel E.. "Structural and energetic characterization of anhydrous and hemihydrated 2-mercaptoimidazole: Calorimetric, X-ray diffraction, and computational studies". Journal of Chemical Thermodynamics 95 (2016): 35-48. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000368762600005&KeyUID=WOS:000368762600005.
    10.1016/j.jct.2015.11.010
  7. Range, Sven; Bernardes, Carlos E. S.; Simoes, Ricardo G.; Epple, Matthias; Minas da Piedade, Manuel E.. "Size Matters: An Experimental and Computational Study of the Influence of Particle Size on the Lattice Energy of NaCl". Journal of Physical Chemistry C 119 8 (2015): 4387-4396. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000350329300055&KeyUID=WOS:000350329300055.
    10.1021/jp5124772
  8. Bernardes, Carlos E. S.; Simoes, Ricardo G.; Diogo, Herminio P.; Minas da Piedade, Manuel E.. "Thermochemistry of 2,2,5,7,8-pentamethylchroman-6-ol (PMC) and 6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid (trolox)". Journal of Chemical Thermodynamics 73 (2014): 140-147. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000335846900021&KeyUID=WOS:000335846900021.
    10.1016/j.jct.2013.11.032
  9. Simoes, Ricardo G.; Diogo, Herminio P.; Dias, Ana; Oliveira, Maria Conceicao; Cordeiro, Carlos; Bernardes, Carlos E. S.; Minas Da Piedade, Manuel E.. "Thermal Stability of Simvastatin under Different Atmospheres". Journal of Pharmaceutical Sciences 103 1 (2014): 241-248. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000328453500025&KeyUID=WOS:000328453500025.
    10.1002/jps.23787
  10. Simoes, Ricardo G.; Agapito, Filipe; Diogo, Herminio P.; Minas da Piedade, Manuel E.. "Enthalpy of Formation of Anisole: Implications for the Controversy on the O-H Bond Dissociation Enthalpy in Phenol". Journal of Physical Chemistry A 118 46 (2014): 11026-11032. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000345474500016&KeyUID=WOS:000345474500016.
    10.1021/jp507267f
  11. Simoes, Ricardo G.; Bernardes, Carlos E. S.; Diogo, Herminio P.; Agapito, Filipe; Minas da Piedade, Manuel E.. "Energetics and Structure of Simvastatin". Molecular Pharmaceutics 10 7 (2013): 2713-2722. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000321472000020&KeyUID=WOS:000321472000020.
    10.1021/mp400132r
  12. Simoes, Ricardo G.; Bernardes, Carlos E. S.; Minas da Piedade, Manuel E.. "Polymorphism in 4-Hydroxybenzaldehyde: A Crystal Packing and Thermodynamic Study". Crystal Growth & Design 13 7 (2013): 2803-2814. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000321542900014&KeyUID=WOS:000321542900014.
    10.1021/cg400123p
  13. Simoes, Ricardo G.; Aleixo, Ana I.; Lagoa, Ana L. C.; Minas da Piedade, Manuel E.; Leal, Joao P.; Peitsch, Thorsten; Epple, Matthias. "Thermoanalytical and structural characterization of fluoridated calcium phosphates prepared in anhydrous alcohols". Journal of Thermal Analysis and Calorimetry 100 2 (2010): 509-517. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000276771600018&KeyUID=WOS:000276771600018.
    10.1007/s10973-009-0654-7
Activities

Oral presentation

Presentation title Event name
Host (Event location)
2022/07/12 Probing 4'-Hydroxyacetophenone Crystallization from Aqueous Solutions
Colégio de Química da ULisboa (CQUL) (Lisbon, Portugal)
2021/07/16 Solubility of Simvastatin in Acetone, Ethyl Acetate, and Ethanol: An Experimental and MD Simulation Study 19th International Symposium on Solubility Phenomena and Related Equilibrium Processes (ISSP-19)
2019 Polymorphism in Organic Compounds: 4'-Hydroxyvalerophenone, a Case of Conformational Polymorphism Chemistry: Shaping the Future (4ECQUL)
(Lisboa, Portugal)
2018 Packing Energetics in 4-HOC6H4COR Compounds: The Influence of the Side Chain 3rd Meeting of the College of Chemistry (3ECQUL)
(Lisboa, Portugal)
2018 Polymorphism in 4-hydroxybenzoyl compounds: the influence of the side chain CM1402 COST Action Meeting
(Praga, Czech Republic)
2016 Crystallization of Piracetam on Silicon Waffers KOSMOS - 8th Workshop on Substrate-Mediated Polymorphism in Organic Thin Films in Humboldt Universität zu Berlin, IRIS Adlershof, Germany
(Adlershof, Germany)
2012 Thermal Stability of Simvastatin in Different Atmospheres 6th Annual Symposium of the Pharmaceutical Solid State Research Cluster (PSSRC), Lisboa, Portugal
(Lisboa, Portugal)

Event participation

Activity description
Type of event
Event name
Institution / Organization
2017 - Current Catarina Patrão, Helena Marcelino, Mª Beatriz Valério; Project: "A Química e os Segredos de um Chocolate Perfeito"; programa "Ser Cientista"; Faculdade de Ciências, Universidade de Lisboa, 2017 Programa "Ser Cientista"
2023/05/03 - 2023/05/03 Oral presentation entitled: "O que têm em comum chocolates, bonecas LOL e medicamentos?
Exhibition
Dias Abertos FCUL
Universidade de Lisboa, Portugal
2022/07/25 - 2022/07/29 Matilde Agapito, Raquel Barros; Project: "A Química e os Segredos de um Chocolate Perfeito"; programa "Ser Cientista"; Faculdade de Ciências, Universidade de Lisboa, 2022 Programa "Ser Cientista"
2019/05/08 - 2019/05/08 Oral presentation entitled: "O que têm em comum chocolates, bonecas LOL e medicamentos?
Exhibition
Dias Abertos FCUL
Universidade de Lisboa Faculdade de Ciências, Portugal
2018 - 2018 Apolo Estrela, Inês Ribeiro, Inês Viola, Malena Schweiker, Mariana Santos, Ricardo Boavida; Project: "A Química e os Segredos de um Chocolate Perfeito"; programa "Ser Cientista"; Faculdade de Ciências, Universidade de Lisboa, 2018 programa "Ser Cientista"
2014 - 2014 Diva Pereira Férias Projeto e Madalena Sofia Conchinha Bilé; Project: "Estabilidade Térmica de Fármacos e Produtos Alimentares"; programa "Ser Cientista"; Faculdade de Ciências, Universidade de Lisboa, 2014.
Other
Programa "Ser Cientista"
Universidade de Lisboa Faculdade de Ciências, Portugal

Ad Hoc journal article review

Journal title (ISSN) Publisher
2022/09/28 - Current Crystal Growth & Design (1528-7505) American Chemical Society
2022/04/11 - Current Journal of Molecular Liquids (0167-7322) Elsevier
2021/07/21 - Current Journal of Physical and Chemical Reference Data AIP Publishing

Course / Discipline taught

Academic session Degree Subject (Type) Institution / Organization
2023/09/18 - 2024/02/09 Practical laboratory classes for 1st year students Biology Students Química (Biologia) (Licenciatura) Universidade de Lisboa, Portugal
2023/09/18 - 2024/02/09 Practical laboratory classes for 2nd year students of Biochemistry Química-Física (Licenciatura) Universidade de Lisboa, Portugal
2022/09 - 2023/02 Practical laboratory classes for 1st year students of the Physical Engineering; Physics; Meteorology, Oceanography and Geophysics; and Integrated master in Energy of the Environment. Química Geral
2017/09 - 2018/02 Practical laboratory classes for 1st year students of the Physical Engineering; Physics; Meteorology, Oceanography and Geophysics; and Integrated master in Energy of the Environment. Química Geral

Scientific expedition

Activity description Institution / Organization
2017/10/16 - 2017/10/28 Short term mission to BAM, Grant from COST Action CM1402 Bundesanstalt für Materialforschung und -prüfung, Germany
Distinctions

Award

2023 1st place poster "Jumping Crystals: Thermosalient Effect Associated with a Solid-solid Phase Transition in 4'-Hydroxybutyrophenone"
2021 2020 Franzosini Award
International Union of Pure and Applied Chemistry, United States