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Luís Alberto E. Batista de Carvalho (January 1961, Coimbra, Portugal) received his BSc (Hons) from the Department of Chemistry, Faculty of Science and Technology, University of Coimbra (1984) and his PhD in Chemistry, specialty Physical-Chemistry, from Faculty of Sciences, University of Lisbon (1993). He is currently associate professor at the Department of Chemistry, University of Coimbra and head of the “Molecular Physical-Chemistry” R&D Unit. Throughout his career he has developed several scientific research projects, in collaboration with national and international groups, in the areas of Medicinal Chemistry, Pharmaceutical Technology and Chemistry/Forensic Anthropology with special emphasis on the application of spectroscopic techniques: i) to the structural analysis of compounds of biological interest; ii) the development of new anti-cancer agents containing Pt and Pd (in particular, the determination of new therapeutic targets in order to optimize efficacy and minimize side effects and acquired resistance); iii) the study of drug/cell interactions in model systems (cancer cell lines) with a view to understanding the molecular mechanisms underlying cytotoxic activity; and iv) the analysis of changes induced by burning processes in human skeletons. He has preferably used vibrational spectroscopy, optical and with neutrons, including microRaman spectroscopy and FTIR with synchrotron radiation. Recently, and in conjunction with the aforementioned themes that he continues to develop, he started a research project that aims to apply vibrational spectroscopy techniques to the early diagnosis of cancer and rigorous determination of surgical margins (in the removal of malignant tumours). This subject involves not only methodological development but also the construction of a new Raman spectroscopy apparatus that increases the speed of diagnosis with a view to translate this technology to the clinics in the near future.
Identificação

Identificação pessoal

Nome completo
Luís Alberto Esteves Batista de Carvalho

Nomes de citação

  • Luís A. E. Batista de Carvalho

Identificadores de autor

Ciência ID
D01B-AC37-A405
ORCID iD
0000-0002-8059-8537

Domínios de atuação

  • Ciências Exatas - Química - Química Física
Formação
Grau Classificação
1993/04/19
Concluído
Química (Doutoramento)
Universidade de Lisboa Faculdade de Ciências, Portugal
"Estudos Conformacionais em Monoaminas Acíclicas" (TESE/DISSERTAÇÃO)
Summa cum laude
1979 - 1984/09
Concluído
Química (Licenciatura)
Especialização em Ramo Científico
Universidade de Coimbra Departamento de Química, Portugal
"Correlações entre os Espectros Vibracionais e a Estrutura das n-Butilaminas" (TESE/DISSERTAÇÃO)
Percurso profissional

Docência no Ensino Superior

Categoria Profissional
Instituição de acolhimento
Empregador
2020/10/15 - Atual Professor Associado (Docente Universitário) Universidade de Coimbra Faculdade de Ciencias e Tecnologia, Portugal
Universidade de Coimbra Unidade de Investigação e Desenvolvimento Química-Física Molecular, Portugal
1993/04/20 - 2020/10/14 Professor Auxiliar (Docente Universitário) Universidade de Coimbra Faculdade de Ciencias e Tecnologia, Portugal
1990/06/01 - 1993/04/19 Assistente (Docente Universitário) Universidade de Coimbra Faculdade de Ciencias e Tecnologia, Portugal
1985/11/01 - 1990/06/01 Assistente Estagiário (Docente Universitário) Universidade de Coimbra Faculdade de Ciencias e Tecnologia, Portugal
1984/11/01 - 1985/10/01 Monitor (Docente Universitário) Universidade de Coimbra Faculdade de Ciencias e Tecnologia, Portugal
Projetos

Bolsa

Designação Financiadores
2006 - 2007 Molecular Hibridization for the Design of New Anticancer Drugs
CAPES/CPLP-4.1.3
Investigador responsável
Universidade de Coimbra Unidade de Investigação e Desenvolvimento Química-Física Molecular, Portugal
Ministério da Ciência Tecnologia e Ensino Superior
Concluído

Projeto

Designação Financiadores
2018 - 2022/07 Ideas4Life - Novel maritime plant food ingredients
POCI-01-0145-FEDER-029305
Investigador
Universidade de Coimbra Unidade de Investigação e Desenvolvimento Química-Física Molecular, Portugal
Em curso
2018 - 2022/06 VibsOnCancer / Molecular Cancer Diagnostics by Vibrational Spectroscopy
Centro-01-0145-FEDER-029956
Investigador responsável
Universidade de Coimbra Unidade de Investigação e Desenvolvimento Química-Física Molecular, Portugal
Em curso
2017 - 2021/12 ReNATURE – Valorization of the Endogenous Natural Resources of the Central Region of Portugal
Centro-01-0145-FEDER-000007
Investigador
Universidade de Coimbra Unidade de Investigação e Desenvolvimento Química-Física Molecular, Portugal

Universidade de Coimbra Centro de Investigação da Terra e do Espaço, Portugal

Universidade de Coimbra Centro de Engenharia Mecânica Materiais e Processos, Portugal

Centro de Ecologia Funcional, Portugal

Associação para o Desenvolvimento da Aerodinâmica Industrial, Portugal
Concluído
2016 - 2019/09 Biochemical impact of paltinum and palladium-based anticancer agents
POCI-01-0145-FEDER-0016786
Investigador
Universidade de Coimbra Unidade de Investigação e Desenvolvimento Química-Física Molecular, Portugal
Ministério da Ciência Tecnologia e Ensino Superior
2016 - 2018/05 IRonBONE - Returning ‘metrics’ to osteometrics in burned human skeletal remains: estimating heat-induced dimensional change through spectroscopy
POCI-01-0145-FEDER-016766
Investigador
Universidade de Coimbra Unidade de Investigação e Desenvolvimento Química-Física Molecular, Portugal

Universidade de Coimbra Centro de Investigação em Antropologia e Saúde, Portugal
2008 - 2011 Anticancer Activity of Novel Polyamine Pd(II) Complexes - A Multidisciplinary Study
PTDC/QUI/66701/2001
Investigador
Universidade de Coimbra Unidade de Investigação e Desenvolvimento Química-Física Molecular, Portugal
Ministério da Ciência, Tecnologia e Ensino Superior (Lisboa, Portugal)
Concluído
2006 - 2009/03/01 João de Ruão Sculptures – Classification and Characterisation Through Pigments’ Analysis
POCI/HEC/55536/2004
Investigador
Universidade de Coimbra Instituto de Investigação Interdisciplinar, Portugal

Universidade de Coimbra Unidade de Investigação e Desenvolvimento Química-Física Molecular, Portugal
Fundação para a Ciência e a Tecnologia
Concluído
2005 - 2008/12/31 Development of New Anticancer Agents: Phenolic Derivatives of Natural or Synthetic Origin
POCI/QUI/55631/2004
Investigador
Universidade de Coimbra Unidade de Investigação e Desenvolvimento Química-Física Molecular, Portugal
Ministério da Ciência, Tecnologia e Ensino Superior (Lisboa, Portugal)
Concluído
2004 - 2007/12/31 Pt(II) Complexes of Biogenic Polyamines as New Anticancer Drugs: Structure-Activity Relationships
POCTI/QUI/47256/2002
Investigador
Universidade de Coimbra Unidade de Investigação e Desenvolvimento Química-Física Molecular, Portugal
Ministério da Ciência, Tecnologia e Ensino Superior (Lisboa, Portugal)
Concluído
2000 - 2003 CH..O hydrogen bonds in liquids
POCTI/QUI/35408/2000
Universidade de Coimbra Unidade de Investigação e Desenvolvimento Química-Física Molecular, Portugal
Ministério da Ciência, Tecnologia e Ensino Superior (Lisboa, Portugal)
Concluído
2000 - 2003 Studies on Biogenic Polyamines and their Metal Complexes
POCTI/QUI/33199/2000
Ministério da Ciência Tecnologia e Ensino Superior
1996 - 1999 Conformational Analysis of Polyamines: A Study by Vibrational Spectroscopy and Ab Initio Calculations
PBIC/C/QUI/2219/95
Investigador responsável
Universidade de Coimbra Unidade de Investigação e Desenvolvimento Química-Física Molecular, Portugal
Fundação para a Ciência e a Tecnologia
Concluído
Produções

Publicações

Artigo em conferência
  1. Khodov, I.A.; Belov, K.V.; Efimov, S.V.; De Carvalho, L.A.E.B.. "Determination of preferred conformations of mefenamic acid in DMSO by NMR spectroscopy and GIAO calculation". 2019.
    10.1063/1.5087339
Artigo em revista
  1. Festa, G.; Rubini, M.; Zaio, P.; Gozzi, A.; Libianchi, N.; Parker, S. F.; Romanelli, G.; de Carvalho, L. A. E. Batista; Marques, M. P. M.. "Vibrational spectroscopy to study ancient Roman funerary practices at the “Hypogeum of the Garlands” (Italy)". Scientific Reports 12 1 (2022): 1-11. http://dx.doi.org/10.1038/s41598-022-07689-0.
    Acesso aberto • Publicado • 10.1038/s41598-022-07689-0
  2. Inês P. Santos; Clara B. Martins; Luís A. E. Batista de Carvalho; Maria P. M. Marques; Ana L. M. Batista de Carvalho. "Who’s Who? Discrimination of Human Breast Cancer Cell Lines by Raman and FTIR Microspectroscopy". Cancers (2022): https://doi.org/10.3390/cancers14020452.
    10.3390/cancers14020452
  3. Adriana P. Mamede; Inês P. Santos; Ana L. M. Batista de Carvalho; Paulo Figueiredo; Maria C. Silva; Mariana V. Tavares; Maria P. M. Marques; Luís A. E. Batista de Carvalho. "A New Look into Cancer—A Review on the Contribution of Vibrational Spectroscopy on Early Diagnosis and Surgery Guidance". Cancers 13 21 (2021): 5336-5336. https://doi.org/10.3390/cancers13215336.
    10.3390/cancers13215336
  4. M. P. M. Marques; L. A. E. Batista de Carvalho; D. Gonçalves; E. Cunha; S. F. Parker. "The impact of moderate heating on human bones: an infrared and neutron spectroscopy study". Royal Society Open Science (2021): https://doi.org/10.1098/rsos.210774.
    10.1098/rsos.210774
  5. Joana Marques; Daniel Martin; Ana M. Amado; Viktoriya Lysenko; Nádia Osório; Luís A. E. Batista de Carvalho; Maria Paula M. Marques; Maria João Barroca; Aida Moreira da Silva. "Novel Insights into Corema album Berries: Vibrational Profile and Biological Activity". Plants (2021): https://doi.org/10.3390/plants10091761.
    10.3390/plants10091761
  6. Paulo J. A. Ribeiro-Claro; Pedro D. Vaz; Mariela M. Nolasco; Francisco P. S. C. Gil; Luís A. E. Batista de Carvalho; Maria Paula M. Marques; Ana M. Amado. "New Insights on the Vibrational Dynamics of 2-Methoxy-, 4-Methoxy- and 4-Ethoxy-Benzaldehyde from INS Spectra and Periodic DFT Calculations". Materials 14 16 (2021): 4561-4561. https://doi.org/10.3390/ma14164561.
    10.3390/ma14164561
  7. Roberto Senesi; Carla Andreani; Piero Baglioni; Luis A. E. Batista de Carvalho; Silvia Licoccia; Maria P. M. Marques; Giulia Moretti; et al. "Towards Neutron Scattering Identification of Olive Oil’s Antioxidant Properties". Neutron News 32 3 (2021): 2-3. https://doi.org/10.1080/10448632.2021.1946355.
    10.1080/10448632.2021.1946355
  8. Ana López-Malvar; Rogelio Santiago; Rosa Ana Malvar; Daniel Martín; Inês Pereira dos Santos; Luís A. E. Batista de Carvalho; Laura Faas; Leonardo D. Gómez; Ricardo M. F. da Costa. "FTIR Screening to Elucidate Compositional Differences in Maize Recombinant Inbred Lines with Contrasting Saccharification Efficiency Yields". Agronomy 11 6 (2021): 1130-1130. https://doi.org/10.3390/agronomy11061130.
    10.3390/agronomy11061130
  9. Roberto Senesi; Carla Andreani; Piero Baglioni; Luis A. E. Batista de Carvalho; Silvia Licoccia; Maria P. M. Marques; Giulia Moretti; et al. "Looking for Minor Phenolic Compounds in Extra Virgin Olive Oils Using Neutron and Raman Spectroscopies". Antioxidants (2021): https://doi.org/10.3390/antiox10050643.
    10.3390/antiox10050643
  10. Mário P. Marques; João Martins; Luís A. E. Batista de Carvalho; Mónica R. Zuzarte; Ricardo M. F. da Costa; Jorge Canhoto. "Study of physiological and biochemical events leading to vitrification of Arbutus unedo L. cultured in vitro". Trees (2021): https://doi.org/10.1007/s00468-020-02036-0.
    10.1007/s00468-020-02036-0
  11. Marques, M.P.M.; Gonçalves, D.; Mamede, A.P.; Coutinho, T.; Cunha, E.; Kockelmann, W.; Parker, S.F.; Batista de Carvalho, L.A.E.. "Profiling of human burned bones: oxidising versus reducing conditions". Scientific Reports 11 1 (2021): http://www.scopus.com/inward/record.url?eid=2-s2.0-85099381661&partnerID=MN8TOARS.
    10.1038/s41598-020-80462-3
  12. Martin, D.; Lopes, T.; Correia, S.; Canhoto, J.; Marques, M.P.M.; Batista de Carvalho, L.A.E.. "Nutraceutical properties of tamarillo fruits: A vibrational study". Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy 252 (2021): http://www.scopus.com/inward/record.url?eid=2-s2.0-85100504771&partnerID=MN8TOARS.
    10.1016/j.saa.2021.119501
  13. da Costa, R.M.F.; Winters, A.; Hauck, B.; Martín, D.; Bosch, M.; Simister, R.; Gomez, L.D.; Batista de Carvalho, L.A.E.; Canhoto, J.M.. "Biorefining Potential of Wild-Grown Arundo donax, Cortaderia selloana and Phragmites australis and the Feasibility of White-Rot Fungi-Mediated Pretreatments". Frontiers in Plant Science 12 (2021): http://www.scopus.com/inward/record.url?eid=2-s2.0-85110512453&partnerID=MN8TOARS.
    10.3389/fpls.2021.679966
  14. Batista de Carvalho, L.A.E.; Mamede, A.P.; Batista de Carvalho, A.L.M.; Marques, J.; Cinque, G.; Rudic, S.; Marques, M.P.M.. "Metallodrug-protein interaction probed by synchrotron terahertz and neutron scattering spectroscopy". Biophysical Journal 120 15 (2021): 3070-3078. http://www.scopus.com/inward/record.url?eid=2-s2.0-85110674051&partnerID=MN8TOARS.
    10.1016/j.bpj.2021.06.012
  15. Gonçalves, D.; Piga, G.; Batista de Carvalho, L.A.E.; Marques, M.P.M.. "The potential of chemometric analyses in the examination of burnt human skeletal remains". European Journal of Anatomy 25 (2021): 103-127. http://www.scopus.com/inward/record.url?eid=2-s2.0-85111251569&partnerID=MN8TOARS.
  16. Pedrosa, M.; Ferreira, M.T.; E. Batista de Carvalho, L.A.; M. Marques, M.P.; Curate, F.. "The association of osteochemometrics and bone mineral density in humans". American Journal of Physical Anthropology 176 3 (2021): 434-444. http://www.scopus.com/inward/record.url?eid=2-s2.0-85104261754&partnerID=MN8TOARS.
    10.1002/ajpa.24283
  17. David Gonçalves; Ana R. Vassalo; Calil Makhoul; Giampaolo Piga; Adriana P. Mamede; Stewart F. Parker; Maria T. Ferreira; et al. "Chemosteometric regression models of heat exposed human bones to determine their pre-burnt metric dimensions". American Journal of Physical Anthropology (2020): https://doi.org/10.1002/ajpa.24104.
    10.1002/ajpa.24104
  18. Stefano Fornasaro; Fatima Alsamad; Monica Baia; Luís A. E. Batista de Carvalho; Claudia Beleites; Hugh J. Byrne; Alessandro Chiadò; et al. "Surface Enhanced Raman Spectroscopy for Quantitative Analysis: Results of a Large-Scale European Multi-Instrument Interlaboratory Study". Analytical Chemistry (2020): https://doi.org/10.1021/acs.analchem.9b05658.
    10.1021/acs.analchem.9b05658
  19. M. Paula M. Marques; Ana L. M. Batista de Carvalho; Adriana P. Mamede; Asha Dopplapudi; Svemir Rudic; Madhusudan Tyagi; Victoria Garcia Sakai; Luís A. E. Batista de Carvalho. "A New Look into the Mode of Action of Metal-Based Anticancer Drugs". Molecules 25 2 (2020): 246-246. https://doi.org/10.3390/molecules25020246.
    10.3390/molecules25020246
  20. Luís A. E. Batista de Carvalho. "Intracellular water as a mediator of anticancer drug action". International Reviews in Physical Chemistry (2020): http://dx.doi.org/10.1080/0144235x.2020.1700083.
    10.1080/0144235x.2020.1700083
  21. Pedrosa, M.; Curate, F.; Batista de Carvalho, L.A.E.; Marques, M.P.M.; Ferreira, M.T.. "Beyond metrics and morphology: the potential of FTIR-ATR and chemometrics to estimate age-at-death in human bone". International Journal of Legal Medicine (2020): http://www.scopus.com/inward/record.url?eid=2-s2.0-85084427153&partnerID=MN8TOARS.
    10.1007/s00414-020-02310-3
  22. Barroca, M.J.; Guiné, R.P.F.; Amado, A.M.; Ressurreição, S.; da Silva, A.M.; Marques, M.P.M.; de Carvalho, L.A.E.B.. "The drying process of Sarcocornia perennis: impact on nutritional and physico-chemical properties". Journal of Food Science and Technology (2020): http://www.scopus.com/inward/record.url?eid=2-s2.0-85085149612&partnerID=MN8TOARS.
    10.1007/s13197-020-04482-7
  23. Oliveira, M.M.; Santos, H.S.; Coutinho, H.D.M.; Bandeira, P.N.; da Silva, P.T.; Freitas, T.S.; Rocha, J.E.; et al. "Spectroscopic characterization and efflux pump modulation of a thiophene curcumin derivative". Journal of Molecular Structure 1215 (2020): http://www.scopus.com/inward/record.url?eid=2-s2.0-85083679151&partnerID=MN8TOARS.
    10.1016/j.molstruc.2020.128291
  24. Marques, M.P.M.; Batista de Carvalho, A.L.M.; Mamede, A.P.; Rudic, S.; Dopplapudi, A.; García Sakai, V.; Batista de Carvalho, L.A.E.. "Intracellular water as a mediator of anticancer drug action". International Reviews in Physical Chemistry 39 1 (2020): 67-81. http://www.scopus.com/inward/record.url?eid=2-s2.0-85078452758&partnerID=MN8TOARS.
    10.1080/0144235X.2020.1700083
  25. Marques, M.P.M.; Batista De Carvalho, A.L.M.; Mamede, A.P.; Dopplapudi, A.; García Sakai, V.; Batista De Carvalho, L.A.E.. "Role of intracellular water in the normal-to-cancer transition in human cells - Insights from quasi-elastic neutron scattering". Structural Dynamics 7 5 (2020): http://www.scopus.com/inward/record.url?eid=2-s2.0-85092313587&partnerID=MN8TOARS.
    10.1063/4.0000021
  26. Guo, S.; Beleites, C.; Neugebauer, U.; Abalde-Cela, S.; Afseth, N.K.; Alsamad, F.; Anand, S.; et al. "Comparability of Raman Spectroscopic Configurations: A Large Scale Cross-Laboratory Study". Analytical Chemistry 92 24 (2020): 15745-15756. http://www.scopus.com/inward/record.url?eid=2-s2.0-85098225611&partnerID=MN8TOARS.
    10.1021/acs.analchem.0c02696
  27. Maria Paula M. Marques; Ana L. M. Batista de Carvalho; Adriana P. Mamede; Inês P. Santos; Victoria García Sakai; Asha Dopplapudi; Gianfelice Cinque; et al. "Chemotherapeutic Targets in Osteosarcoma: Insights from Synchrotron-MicroFTIR and Quasi-Elastic Neutron Scattering". The Journal of Physical Chemistry B (2019): https://doi.org/10.1021/acs.jpcb.9b05596.
    10.1021/acs.jpcb.9b05596
  28. Daniel Martin; Ana M. Amado; Alicia G. Gonzálvez; M. Paula M. Marques; Luís A. E. Batista de Carvalho; Ángel González Ureña. "FTIR Spectroscopy and DFT Calculations to Probe the Kinetics of ß-Carotene Thermal Degradation". The Journal of Physical Chemistry A (2019): https://doi.org/10.1021/acs.jpca.9b02327.
    10.1021/acs.jpca.9b02327
  29. Luís A. E. Batista de Carvalho. "First analysis of ancient burned human skeletal remains probed by neutron and optical vibrational spectroscopy". Science Advances (2019): http://dx.doi.org/10.1126/sciadv.aaw1292.
    10.1126/sciadv.aaw1292
  30. Ana L. M. Batista de Carvalho; Adriana P. Mamede; Asha Dopplapudi; Victoria Garcia Sakai; James Doherty; Mark Frogley; Gianfelice Cinque; et al. "Anticancer drug impact on DNA – a study by neutron spectroscopy coupled with synchrotron-based FTIR and EXAFS". Physical Chemistry Chemical Physics 21 8 (2019): 4162-4175. https://doi.org/10.1039/C8CP05881D.
    10.1039/C8CP05881D
  31. Martin, D.; Marques, J.; Amado, A.M.; Barroca, M.J.; Moreira da Silva, A.; Batista de Carvalho, L.A.E.; Marques, M.P.M.. "Shedding light into the health-beneficial properties of Corema album—A vibrational spectroscopy study". Journal of Raman Spectroscopy (2019): http://www.scopus.com/inward/record.url?eid=2-s2.0-85075029388&partnerID=MN8TOARS.
    10.1002/jrs.5775
  32. A. P. Mamede; M. P. M. Marques; A. R. Vassalo; E. Cunha; D. Gonçalves; S. F. Parker; W. Kockelmann; et al. "Human bone probed by neutron diffraction: the burning process". RSC Advances 9 63 (2019): 36640-36648. https://doi.org/10.1039/C9RA07728F.
    10.1039/C9RA07728F
  33. M. P. M. Marques; A. P. Mamede; A. R. Vassalo; C. Makhoul; E. Cunha; D. Gonçalves; S. F. Parker; L. A. E. Batista de Carvalho. "Heat-induced Bone Diagenesis Probed by Vibrational Spectroscopy". Scientific Reports 8 1 (2018): https://doi.org/10.1038/s41598-018-34376-w.
    10.1038/s41598-018-34376-w
  34. Adriana P. Mamede; Ana R. Vassalo; Giampaolo Piga; Eugénia Cunha; Stewart F. Parker; M. Paula M. Marques; Luís A. E. Batista de Carvalho; David Gonçalves. "Potential of Bioapatite Hydroxyls for Research on Archeological Burned Bone". Analytical Chemistry (2018): https://doi.org/10.1021/acs.analchem.8b02868.
    10.1021/acs.analchem.8b02868
  35. Adriana P. Mamede; David Gonçalves; M. Paula M. Marques; Luís A. E. Batista de Carvalho. "Burned bones tell their own stories: A review of methodological approaches to assess heat-induced diagenesis". Applied Spectroscopy Reviews (2018): 1-33. https://doi.org/10.1080/05704928.2017.1400442.
    10.1080/05704928.2017.1400442
  36. A. P. Mamede; A. R. Vassalo; E. Cunha; D. Gonçalves; S. F. Parker; L. A. E. Batista de Carvalho; M. P. M. Marques; et al. "Biomaterials from human bone – probing organic fraction removal by chemical and enzymatic methods". RSC Advances 8 48 (2018): 27260-27267. https://doi.org/10.1039/C8RA05660A.
    10.1039/C8RA05660A
  37. Gonçalves, D.; Vassalo, A.R.; Mamede, A.P.; Makhoul, C.; Piga, G.; Cunha, E.; Marques, M.P.M.; Batista de Carvalho, L.A.E.. "Crystal clear: Vibrational spectroscopy reveals intrabone, intraskeleton, and interskeleton variation in human bones". American Journal of Physical Anthropology (2018): http://www.scopus.com/inward/record.url?eid=2-s2.0-85041643475&partnerID=MN8TOARS.
    10.1002/ajpa.23430
  38. Batista de Carvalho, A.L.M.; Parker, S.F.; Batista de Carvalho, L.A.E.; Marques, M.P.M.. "Novel platinum-based anticancer drug: a complete vibrational study". Acta Crystallographica Section C: Structural Chemistry 74 5 (2018): 628-634. http://www.scopus.com/inward/record.url?eid=2-s2.0-85046549535&partnerID=MN8TOARS.
    10.1107/S2053229618005843
  39. Oueslati, I.; Ghrairi, A.; Ribeiro, E.S.; Batista De Carvalho, L.A.E.; Gil, J.M.; Paixao, J.A.. "Calixarene functionalization of TiO2nanoarrays: An effective strategy for enhancing the sensor versatility". Journal of Materials Chemistry A 6 23 (2018): 10649-10654. http://www.scopus.com/inward/record.url?eid=2-s2.0-85048495915&partnerID=MN8TOARS.
    10.1039/c8ta01906a
  40. Mendes, S.R.O.; Amado, A.M.; Tomkinson, J.; Marques, M.P.M.; Batista De Carvalho, L.A.E.. "Vibrational and conformational studies of 1,3-diaminopropane and its N-deuterated and N-ionised derivatives". New Journal of Chemistry 41 18 (2017): 10132-10147. http://www.scopus.com/inward/record.url?eid=2-s2.0-85029217482&partnerID=MN8TOARS.
    10.1039/c7nj00810d
  41. Machado, N.F.L.; Marques, M.P.M.; Batista de Carvalho, L.A.E.; Castro, J.L.; Otero, J.C.. "Anomalous surface-enhanced Raman scattering of aromatic aldehydes and carboxylic acids". Journal of Raman Spectroscopy 48 3 (2017): 413-417. http://www.scopus.com/inward/record.url?eid=2-s2.0-84996551361&partnerID=MN8TOARS.
    10.1002/jrs.5051
  42. Dimuccio, L.A.; Rodrigues, N.; Larocca, F.; Pratas, J.; Amado, A.M.; de Carvalho, L.A.E.B.. "Geochemical and mineralogical fingerprints to distinguish the exploited ferruginous mineralisations of Grotta della Monaca (Calabria, Italy)". Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy 173 (2017): 704-720. http://www.scopus.com/inward/record.url?eid=2-s2.0-84994004753&partnerID=MN8TOARS.
    10.1016/j.saa.2016.10.021
  43. Marques, M.P.M.; Batista De Carvalho, A.L.M.; Sakai, V.G.; Hatter, L.; Batista De Carvalho, L.A.E.. "Intracellular water-an overlooked drug target? Cisplatin impact in cancer cells probed by neutrons". Physical Chemistry Chemical Physics 19 4 (2017): 2702-2713. http://www.scopus.com/inward/record.url?eid=2-s2.0-85021304395&partnerID=MN8TOARS.
    10.1039/c6cp05198g
  44. Marques, M.P.M.; Gianolio, D.; Ramos, S.; Batista De Carvalho, L.A.E.; Aureliano, M.. "An EXAFS Approach to the Study of Polyoxometalate-Protein Interactions: The Case of Decavanadate-Actin". Inorganic Chemistry 56 18 (2017): 10893-10903. http://www.scopus.com/inward/record.url?eid=2-s2.0-85029672093&partnerID=MN8TOARS.
    10.1021/acs.inorgchem.7b01018
  45. Aureliano, M.; Ohlin, C.A.; Vieira, M.O.; Marques, M.P.M.; Casey, W.H.; Batista De Carvalho, L.A.E.. "Characterization of decavanadate and decaniobate solutions by Raman spectroscopy". Dalton Transactions 45 17 (2016): 7391-7399. http://www.scopus.com/inward/record.url?eid=2-s2.0-84969492151&partnerID=MN8TOARS.
    10.1039/c5dt04176g
  46. Batista De Carvalho, A.L.M.; Pilling, M.; Gardner, P.; Doherty, J.; Cinque, G.; Wehbe, K.; Kelley, C.; Batista De Carvalho, L.A.E.; Marques, M.P.M.. "Chemotherapeutic response to cisplatin-like drugs in human breast cancer cells probed by vibrational microspectroscopy". Faraday Discussions 187 (2016): 273-298. http://www.scopus.com/inward/record.url?eid=2-s2.0-84976871532&partnerID=MN8TOARS.
    10.1039/c5fd00148j
  47. Vassalo, A.R.; Cunha, E.; de Carvalho, L.A.E.B.; Gonçalves, D.. "Rather yield than break: assessing the influence of human bone collagen content on heat-induced warping through vibrational spectroscopy". International Journal of Legal Medicine 130 6 (2016): 1647-1656. http://www.scopus.com/inward/record.url?eid=2-s2.0-84975479719&partnerID=MN8TOARS.
    10.1007/s00414-016-1400-x
  48. Marques, M.P.M.; Gonçalves, D.; Amarante, A.I.C.; Makhoul, C.I.; Parker, S.F.; Batista De Carvalho, L.A.E.. "Osteometrics in burned human skeletal remains by neutron and optical vibrational spectroscopy". RSC Advances 6 73 (2016): 68638-68641. http://www.scopus.com/inward/record.url?eid=2-s2.0-84979934231&partnerID=MN8TOARS.
    10.1039/c6ra13564a
  49. Seiça, A.F.; Batista De Carvalho, L.A.E.; Marques, M.P.M.; Teixeira Dias, J.J.C.. "Raman spectroscopic evidence for the inclusion of decanoate ion in trimethyl-ß-cyclodextrin". Vibrational Spectroscopy 85 (2016): 175-180. http://www.scopus.com/inward/record.url?eid=2-s2.0-84965131569&partnerID=MN8TOARS.
    10.1016/j.vibspec.2016.04.010
  50. Khodov, I.A.; Efimov, S.V.; Klochkov, V.V.; Batista De Carvalho, L.A.E.; Kiselev, M.G.. "The importance of suppressing spin diffusion effects in the accurate determination of the spatial structure of a flexible molecule by nuclear Overhauser effect spectroscopy". Journal of Molecular Structure 1106 (2016): 373-381. http://www.scopus.com/inward/record.url?eid=2-s2.0-84980727915&partnerID=MN8TOARS.
    10.1016/j.molstruc.2015.10.055
  51. Silva, T.M.; Fiuza, S.M.; Marques, M.P.M.; Batista De Carvalho, L.A.E.; Amado, A.M.. "Conformational study and reassessment of the vibrational assignments for Norspermidine". Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy 157 (2016): 227-237. http://www.scopus.com/inward/record.url?eid=2-s2.0-84954554378&partnerID=MN8TOARS.
    10.1016/j.saa.2016.01.003
  52. Khodov, I.A.; Efimov, S.V.; Kiselev, M.G.; Batista De Carvalho, L.A.E.; Klochkov, V.V.. "Erratum: The importance of suppressing spin diffusion effects in the accurate determination of the spatial structure of a flexible molecule by nuclear Overhauser effect spectroscopy (Journal of Molecular Structure (2016) 1106 (373-381))". Journal of Molecular Structure 1113 (2016): 191-192. http://www.scopus.com/inward/record.url?eid=2-s2.0-84960418100&partnerID=MN8TOARS.
    10.1016/j.molstruc.2016.02.072
  53. Fiuza, S.M.; Silva, T.M.; Marques, M.P.M.; de Carvalho, L.A.E.B.; Amado, A.M.. "On the correction of calculated vibrational frequencies for the effects of the counterions — a,¿-diamine dihydrochlorides". Journal of Molecular Modeling 21 10 (2015): http://www.scopus.com/inward/record.url?eid=2-s2.0-84942425899&partnerID=MN8TOARS.
    10.1007/s00894-015-2818-7
  54. Fiuza, S.M.; Amado, A.M.; Parker, S.F.; Marques, M.P.M.; Batista De Carvalho, L.A.E.. "Conformational insights and vibrational study of a promising anticancer agent: The role of the ligand in Pd(II)-amine complexes". New Journal of Chemistry 39 8 (2015): 6274-6283. http://www.scopus.com/inward/record.url?eid=2-s2.0-84938151241&partnerID=MN8TOARS.
    10.1039/c5nj01088h
  55. Marques, M.P.; Gianolio, D.; Cibin, G.; Tomkinson, J.; Parker, S.F.; Valero, R.; Pedro Lopes, R.; Batista de Carvalho, L.A.. "A molecular view of cisplatin's mode of action: interplay with DNA bases and acquired resistance". Physical chemistry chemical physics : PCCP 17 7 (2015): 5155-5171. http://www.scopus.com/inward/record.url?eid=2-s2.0-84942155343&partnerID=MN8TOARS.
    10.1039/c4cp05183a
  56. Marques, M.P.M.; Batista De Carvalho, L.A.E.; Parker, S.F.. "Comment on assessment of new DFT methods for predicting vibrational spectra and structure of cisplatin: Which density functional should we choose for studying platinum(II) complexes? [Spectrochim. Acta A125 (2014) 431-439]". Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy 136 PB (2015): http://www.scopus.com/inward/record.url?eid=2-s2.0-84911872311&partnerID=MN8TOARS.
    10.1016/j.saa.2014.08.154
  57. Marques, M.P.M.; Batista De Carvalho, L.A.E.; Valero, R.; Machado, N.F.L.; Parker, S.F.. "An inelastic neutron scattering study of dietary phenolic acids". Physical Chemistry Chemical Physics 16 16 (2014): 7491-7500. http://www.scopus.com/inward/record.url?eid=2-s2.0-84897072687&partnerID=MN8TOARS.
    10.1039/c4cp00338a
  58. Khodov, I.A.; Efimov, S.V.; Klochkov, V.V.; Alper, G.A.; Batista De Carvalho, L.A.E.. "Determination of preferred conformations of ibuprofen in chloroform by 2D NOE spectroscopy". European Journal of Pharmaceutical Sciences 65 (2014): 65-73. http://www.scopus.com/inward/record.url?eid=2-s2.0-84907517725&partnerID=MN8TOARS.
    10.1016/j.ejps.2014.08.005
  59. Oueslati, I.; Paixão, J.A.; Shkurenko, A.; Suwinska, K.; Seixas De Melo, J.S.; Batista De Carvalho, L.A.E.. "Highly ordered luminescent calix[4]azacrown films showing an emission response selective to volatile tetrahydrofuran". Journal of Materials Chemistry C 2 42 (2014): 9012-9020. http://www.scopus.com/inward/record.url?eid=2-s2.0-84907942409&partnerID=MN8TOARS.
    10.1039/c4tc01596g
  60. Marques, M.P.M.; Valero, R.; Parker, S.F.; Tomkinson, J.; Batista De Carvalho, L.A.E.. "Polymorphism in cisplatin anticancer drug". Journal of Physical Chemistry B 117 21 (2013): 6421-6429. http://www.scopus.com/inward/record.url?eid=2-s2.0-84878365758&partnerID=MN8TOARS.
    10.1021/jp403486z
  61. Vueba, M.L.; Rodrigues, A.; Lourenço, P.; Batista De Carvalho, L.A.E.; Veiga, F.; Sousa, J.J.; Pina, M.E.. "Gamma scintigraphy in the analysis of ketoprofen behaviour from matrix tablets". International Journal of Pharmaceutics 448 1 (2013): 298-304. http://www.scopus.com/inward/record.url?eid=2-s2.0-84876692044&partnerID=MN8TOARS.
    10.1016/j.ijpharm.2013.03.043
  62. Lopes, R.P.; Valero, R.; Tomkinson, J.; Marques, M.P.M.; Batista De Carvalho, L.A.E.. "Applying vibrational spectroscopy to the study of nucleobases-adenine as a case-study". New Journal of Chemistry 37 9 (2013): 2691-2699. http://www.scopus.com/inward/record.url?eid=2-s2.0-84882417883&partnerID=MN8TOARS.
    10.1039/c3nj00445g
  63. Machado, N.F.L.; Batista De Carvalho, L.A.E.; Otero, J.C.; Marques, M.P.M.. "A conformational study of hydroxylated isoflavones by vibrational spectroscopy coupled with DFT calculations". Vibrational Spectroscopy 68 (2013): 257-265. http://www.scopus.com/inward/record.url?eid=2-s2.0-84884562342&partnerID=MN8TOARS.
    10.1016/j.vibspec.2013.08.010
  64. Machado, N.F.L.; Batista De Carvalho, L.A.E.; Otero, J.C.; Marques, M.P.M.. "A conformational study of hydroxyflavones by vibrational spectroscopy coupled to DFT calculations". Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy 109 (2013): 116-124. http://www.scopus.com/inward/record.url?eid=2-s2.0-84874931928&partnerID=MN8TOARS.
    10.1016/j.saa.2013.01.038
  65. Amado, A.M.; Fiuza, S.M.; Batista De Carvalho, L.A.E.; Ribeiro-Claro, P.J.A.. "On the relevance of considering the intermolecular interactions on the prediction of the vibrational spectra of isopropylamine". Journal of Chemistry (2013): http://www.scopus.com/inward/record.url?eid=2-s2.0-84888856684&partnerID=MN8TOARS.
    10.1155/2013/682514
  66. Santos, J.V.; Pina, M.E.T.; Marques, M.P.M.; De Carvalho, L.A.E.B.. "New sustained release of Zidovudine Matrix tablets - Cytotoxicity toward Caco-2 cells". Drug Development and Industrial Pharmacy 39 8 (2013): 1154-1166. http://www.scopus.com/inward/record.url?eid=2-s2.0-84879926925&partnerID=MN8TOARS.
    10.3109/03639045.2012.669129
  67. Vueba, M.L.; Batista De Carvalho, L.A.E.; Veiga, F.; Sousa, J.J.; Pina, M.E.. "In vitro release of ketoprofen from hydrophilic matrix tablets containing cellulose polymer mixtures". Drug Development and Industrial Pharmacy 39 11 (2013): 1651-1662. http://www.scopus.com/inward/record.url?eid=2-s2.0-84876683639&partnerID=MN8TOARS.
    10.3109/03639045.2012.729146
  68. Fraqueza, G.; Batista De Carvalho, L.A.E.; Marques, M.P.M.; Maia, L.; Ohlin, C.A.; Casey, W.H.; Aureliano, M.. "Decavanadate, decaniobate, tungstate and molybdate interactions with sarcoplasmic reticulum Ca2+-ATPase: Quercetin prevents cysteine oxidation by vanadate but does not reverse ATPase inhibition". Dalton Transactions 41 41 (2012): 12749-12758. http://www.scopus.com/inward/record.url?eid=2-s2.0-84867322281&partnerID=MN8TOARS.
    10.1039/c2dt31688a
  69. Machado, N.F.L.; Valero, R.; Domingos, H.S.; Tomkinson, J.; Batista De Carvalho, L.A.E.; Otero, J.C.; Marques, M.P.M.. "Conformational behaviour of antioxidant chromones. A vibrational spectroscopy study". Vibrational Spectroscopy 63 (2012): 325-337. http://www.scopus.com/inward/record.url?eid=2-s2.0-84962422685&partnerID=MN8TOARS.
    10.1016/j.vibspec.2012.06.010
  70. Machado, N.F.L.; De Carvalho, L.A.E.B.; Otero, J.C.; Marques, M.P.M.. "The autooxidation process in linoleic acid screened by Raman spectroscopy". Journal of Raman Spectroscopy 43 12 (2012): 1991-2000. http://www.scopus.com/inward/record.url?eid=2-s2.0-84871241694&partnerID=MN8TOARS.
    10.1002/jrs.4121
  71. De Carvalho, A.L.M.B.; Fiuza, S.M.; Tomkinson, J.; De Carvalho, L.A.E.B.; Marques, M.P.M.. "Pt(II) complexes with linear diamines-Part I: Vibrational study of Pt-diaminopropane". Spectroscopy (New York) 27 5-6 (2012): 403-413. http://www.scopus.com/inward/record.url?eid=2-s2.0-84866098384&partnerID=MN8TOARS.
    10.1155/2012/206297
  72. Amado, A.M.; Fiuza, S.M.; Batista De Carvalho, L.A.E.; Ribeiro-Claro, P.J.A.. "On the effects of changing Gaussian program version and SCRF defining parameters: Isopropylamine as a case study". Bulletin of the Chemical Society of Japan 85 9 (2012): 962-975. http://www.scopus.com/inward/record.url?eid=2-s2.0-84866617570&partnerID=MN8TOARS.
    10.1246/bcsj.20120016
  73. Lopes, R.P.; Marques, M.P.M.; Valero, R.; Tomkinson, J.; De Carvalho, L.A.E.B.. "Guanine: A combined study using vibrational spectroscopy and theoretical methods". Spectroscopy (New York) 27 5-6 (2012): 273-292. http://www.scopus.com/inward/record.url?eid=2-s2.0-84866257920&partnerID=MN8TOARS.
    10.1155/2012/168286
  74. Padrào, S.; Fiuza, S.M.; Amado, A.M.; Amorim Da Costa, A.M.; Batista De Carvalho, L.A.E.. "Validation of the mPW1PW Quantum chemical calculations for the vibrational study of organic molecules - Re-assignment of the isopropylamine vibrational spectra". Journal of Physical Organic Chemistry 24 2 (2011): 110-121. http://www.scopus.com/inward/record.url?eid=2-s2.0-79251490698&partnerID=MN8TOARS.
    10.1002/poc.1713
  75. Batista De Carvalho, L.A.E.; Marques, M.P.M.; Martin, C.; Parker, S.F.; Tomkinson, J.. "Inelastic neutron scattering study of PtIIcomplexes displaying anticancer properties". ChemPhysChem 12 7 (2011): 1334-1341. http://www.scopus.com/inward/record.url?eid=2-s2.0-79955650141&partnerID=MN8TOARS.
    10.1002/cphc.201001067
  76. dos Santos, J.V.; de Carvalho, L.A.E.B.; Pina, M.E.. "Development and validation of a RP-HPLC method for the determination of zidovudine and its related substances in sustained-release tablets". Analytical Sciences 27 3 (2011): 283-289. http://www.scopus.com/inward/record.url?eid=2-s2.0-79953098860&partnerID=MN8TOARS.
    10.2116/analsci.27.283
  77. Fiuza, S.M.; Holy, J.; Batista de Carvalho, L.A.E.; Marques, M.P.M.. "Biologic activity of a dinuclear Pd(II)-spermine complex toward human breast cancer". Chemical Biology and Drug Design 77 6 (2011): 477-488. http://www.scopus.com/inward/record.url?eid=2-s2.0-79955949585&partnerID=MN8TOARS.
    10.1111/j.1747-0285.2011.01081.x
  78. Tummala, R.; Diegelman, P.; Fiuza, S.M.; Batista De Carvalho, L.A.E.; Marques, M.P.M.; Kramer, D.L.; Clark, K.; et al. "Characterization of Pt-, Pd-spermine complexes for their effect on polyamine pathway and cisplatin resistance in A2780 ovarian carcinoma cells". Oncology Reports 24 1 (2010): 15-24. http://www.scopus.com/inward/record.url?eid=2-s2.0-77952959761&partnerID=MN8TOARS.
    10.3892/or-00000823
  79. Santos, J.V.; Batista De Carvalho, L.A.E.; Pina, M.E.T.. "The influence of the compression force on zidovudine release from matrix tablets". AAPS PharmSciTech 11 3 (2010): 1442-1448. http://www.scopus.com/inward/record.url?eid=2-s2.0-78649907013&partnerID=MN8TOARS.
    10.1208/s12249-010-9497-6
  80. Fiuza, S.M.; Amado, A.M.; Santos, H.F.D.; Marques, M.P.M.; Carvalho, L.A.E.B.D.. "Conformational and vibrational study of cis-diamminedichloropalladium(ii)". Physical Chemistry Chemical Physics 12 42 (2010): 14309-14321. http://www.scopus.com/inward/record.url?eid=2-s2.0-77958519872&partnerID=MN8TOARS.
    10.1039/c0cp00957a
  81. Fiuza, S.M.; Amado, A.M.; Marques, M.P.M.; Batista De Carvalho, L.A.E.. "Use of effective core potential calculations for the conformational and vibrational study of platinum(II) anticancer drugs-cis- diamminedichloroplatinum(II) as a case study". Journal of Physical Chemistry A 112 14 (2008): 3253-3259. http://www.scopus.com/inward/record.url?eid=2-s2.0-43049120702&partnerID=MN8TOARS.
    10.1021/jp710868p
  82. Vueba, M.L.; Pina, M.E.; Batista De Carvalho, L.A.E.. "Conformational stability of ibuprofen: Assessed by DFT calculations and optical vibrational spectroscopy". Journal of Pharmaceutical Sciences 97 2 (2008): 845-859. http://www.scopus.com/inward/record.url?eid=2-s2.0-39749136699&partnerID=MN8TOARS.
    10.1002/jps.21007
  83. Santos, J.V.; Batista De Carvalho, L.A.E.; Pina, M.E.S.R.T.. "The role of zidovudine on erradication of vertical transmission of AIDS,O papel da zidovudina na erradicação da transmissão vertical da SIDA". Latin American Journal of Pharmacy 27 2 (2008): 303-313. http://www.scopus.com/inward/record.url?eid=2-s2.0-47649113840&partnerID=MN8TOARS.
  84. Marques, M.P.M.; Batista De Carvalho, L.A.E.. "Vibrational spectroscopy studies on linear polyamines". Biochemical Society Transactions 35 2 (2007): 374-380. http://www.scopus.com/inward/record.url?eid=2-s2.0-34247094667&partnerID=MN8TOARS.
    10.1042/BST0350374
  85. Soares, A.S.; Fiuza, S.M.; Gonçalves, M.J.; Batista De Carvalho, L.A.E.; Marques, M.P.M.; Urbano, A.M.. "Effect of the metal center on the antitumor activity of the analogous dinuclear spermine chelates (PdCl2)2(Spermine) and (PtCl2)2(Spermine)". Letters in Drug Design and Discovery 4 7 (2007): 460-463. http://www.scopus.com/inward/record.url?eid=2-s2.0-35348966192&partnerID=MN8TOARS.
    10.2174/157018007781788516
  86. Amado, A.M.; Fiuza, S.M.; Marques, M.P.M.; De Carvalho, L.A.E.B.. "Conformational and vibrational study of platinum(II) anticancer drugs: Cis-diamminedichloroplatinum (II) as a case study". Journal of Chemical Physics 127 18 (2007): http://www.scopus.com/inward/record.url?eid=2-s2.0-36148946806&partnerID=MN8TOARS.
    10.1063/1.2787528
  87. Vueba, M.L.; Batista De Carvalho, L.A.E.; Veiga, F.; Sousa, J.J.; Pina, M.E.. "Influence of cellulose ether mixtures on ibuprofen release: MC25, HPC and HPMC K100M". Pharmaceutical Development and Technology 11 2 (2006): 213-228. http://www.scopus.com/inward/record.url?eid=2-s2.0-33745101434&partnerID=MN8TOARS.
    10.1080/10837450600561349
  88. Batista De Carvalho, L.A.E.; Marques, M.P.M.; Tomkinson, J.. "Drug-excipient interactions in ketoprofen: A vibrational spectroscopy study". Biopolymers 82 4 (2006): 420-424. http://www.scopus.com/inward/record.url?eid=2-s2.0-33745699043&partnerID=MN8TOARS.
    10.1002/bip.20517
  89. Vueba, M.L.; Pina, M.E.; Veiga, F.; Sousa, J.J.; De Carvalho, L.A.E.B.. "Conformational study of ketoprofen by combined DFT calculations and Raman spectroscopy". International Journal of Pharmaceutics 307 1 (2006): 56-65. http://www.scopus.com/inward/record.url?eid=2-s2.0-28844453016&partnerID=MN8TOARS.
    10.1016/j.ijpharm.2005.09.019
  90. De Carvalho, L.A.E.B.; Marques, M.P.M.; Tomkinson, J.. "Transverse acoustic modes of biogenic and a,¿-polyamines: A study by inelastic neutron scattering and raman spectroscopies coupled to DFT calculations". Journal of Physical Chemistry A 110 47 (2006): 12947-12954. http://www.scopus.com/inward/record.url?eid=2-s2.0-33846100073&partnerID=MN8TOARS.
    10.1021/jp064837d
  91. Fiuza, S.M.; Amado, A.M.; Oliveira, P.J.; Sardão, V.A.; Batista De Carvalho, L.A.E.; Marques, M.P.M.. "Pt(II) vs Pd(II) polyamine complexes as new anticancer drugs: A structure-activity study". Letters in Drug Design and Discovery 3 3 (2006): 149-151. http://www.scopus.com/inward/record.url?eid=2-s2.0-33645876182&partnerID=MN8TOARS.
    10.2174/157018006776286989
  92. Vueba, M.L.; Batista De Carvalho, L.A.E.; Veiga, F.; Sousa, J.J.; Pina, M.E.. "Role of cellulose ether polymers on ibuprofen release from matrix tablets". Drug Development and Industrial Pharmacy 31 7 (2005): 653-665. http://www.scopus.com/inward/record.url?eid=2-s2.0-25144506975&partnerID=MN8TOARS.
    10.1080/03639040500216360
  93. Amado, A.M.; Otero, J.C.; Marques, M.P.M.; Batista De Carvalho, L.A.E.. "Spectroscopic and theoretical studies on solid 1,2-ethylenediamine dihydrochloride salt". ChemPhysChem 5 12 (2004): 1837-1847. http://www.scopus.com/inward/record.url?eid=2-s2.0-11844252617&partnerID=MN8TOARS.
    10.1002/cphc.200400350
  94. Amorim Da Costa, A.M.; Marques, M.P.M.; Batista De Carvalho, L.A.E.. "Intra- versus interchain interactions in a,¿-polyamines: A Raman spectroscopy study". Vibrational Spectroscopy 35 1-2 (2004): 165-171. http://www.scopus.com/inward/record.url?eid=2-s2.0-2342549723&partnerID=MN8TOARS.
    10.1016/j.vibspec.2004.01.004
  95. Vueba, M.L.; Batista De Carvalho, L.A.E.; Veiga, F.; Sousa, J.J.; Pina, M.E.. "Influence of cellulose ether polymers on ketoprofen release from hydrophilic matrix tablets". European Journal of Pharmaceutics and Biopharmaceutics 58 1 (2004): 51-59. http://www.scopus.com/inward/record.url?eid=2-s2.0-2942650441&partnerID=MN8TOARS.
    10.1016/j.ejpb.2004.03.006
  96. Amorim da Costa, A.M.; Marques, M.P.M.; Batista de Carvalho, L.A.E.. "Raman spectra of putrescine, spermidine and spermine polyamines and their N-deuterated and N-ionized derivatives". Journal of Raman Spectroscopy 34 5 (2003): 357-366. http://www.scopus.com/inward/record.url?eid=2-s2.0-0037572281&partnerID=MN8TOARS.
    10.1002/jrs.1001
  97. Amorim da Costa, A.M.; Marques, M.P.M.; Batista de Carvalho, L.A.E.. "The carbon-hydrogen stretching region of the Raman spectra of 1,6-hexanediamine: N-deuteration, ionisation and temperature effects". Vibrational Spectroscopy 29 1-2 (2002): 61-67. http://www.scopus.com/inward/record.url?eid=2-s2.0-0037024718&partnerID=MN8TOARS.
    10.1016/S0924-2031(01)00179-5
  98. Marques, M.P.M.; Oliveira, P.J.; Moreno, A.J.M.; Batista De Carvalho, L.A.E.. "Study of carvedilol by combined Raman spectroscopy and ab initio MO calculations". Journal of Raman Spectroscopy 33 10 (2002): 778-783. http://www.scopus.com/inward/record.url?eid=2-s2.0-0036773098&partnerID=MN8TOARS.
    10.1002/jrs.916
  99. Marques, M.P.M.; Batista de Carvalho, L.A.E.; Tomkinson, J.. "Study of biogenic and a,¿-polyamines by combined inelastic neutron scattering and Raman spectroscopies and by ab initio molecular orbital calculations". Journal of Physical Chemistry A 106 11 (2002): 2473-2482. http://www.scopus.com/inward/record.url?eid=2-s2.0-0037149763&partnerID=MN8TOARS.
    10.1021/jp013553k
  100. Oliveira, P.J.; Marques, M.PaulaM.; Batista de Carvalho, L.A.E.; Moreno, A.J.M.. "Effects of carvedilol on isolated heart mitochondria: Evidence for a protonophoretic mechanism". Biochemical and Biophysical Research Communications 276 1 (2000): 82-87. http://www.scopus.com/inward/record.url?eid=2-s2.0-0034675219&partnerID=MN8TOARS.
    10.1006/bbrc.2000.3374
  101. Batista De Carvalho, L.A.E.; Marques, M.P.M.; Teixeira-Dias, J.J.C.. "Oxygen-by-sulfur substitutions in glycine: Conformational and vibrational effects". Journal of the Chemical Society. Perkin Transactions 2 11 (1999): 2507-2514. http://www.scopus.com/inward/record.url?eid=2-s2.0-0042782381&partnerID=MN8TOARS.
  102. Batista De Carvalho, L.A.E.; Lourenço, L.E.; Marques, M.P.M.. "Conformational study of 1,2-diaminoethane by combined ab initio MO calculations and Raman spectroscopy". Journal of Molecular Structure 482-483 (1999): 639-646. http://www.scopus.com/inward/record.url?eid=2-s2.0-0000236695&partnerID=MN8TOARS.
    10.1016/S0022-2860(98)00687-5
  103. Ribeiro-Claro, P.J.A.; De Batista Carvalho, L.A.E.; Amado, A.M.. "Evidence of dimerization through C-H¿O interactions in liquid 4-methoxybenzaldehyde from raman spectra and Ab Initio calculations". Journal of Raman Spectroscopy 28 11 (1997): 867-872. http://www.scopus.com/inward/record.url?eid=2-s2.0-0000602376&partnerID=MN8TOARS.
  104. Batista De Carvalho, L.A.E.; Teixeira-Dias, J.J.C.. "Raman spectra, conformational stability and normal coordinate analysis of ethylmethylamine". Journal of Raman Spectroscopy 26 8-9 (1995): 653-661. http://www.scopus.com/inward/record.url?eid=2-s2.0-84986737462&partnerID=MN8TOARS.
    10.1002/jrs.1250260811
  105. de Carvalho, L.A.E.B.; Teixeira-Dias, J.J.C.. "Conformational analysis of dimethylethylamine: an ab initio MO study and comparison with ethylamine and ethylmethylamine". Journal of Molecular Structure: THEOCHEM 282 3 (1993): 211-221. http://www.scopus.com/inward/record.url?eid=2-s2.0-11844265561&partnerID=MN8TOARS.
    10.1016/0166-1280(93)85004-I
  106. de Carvalho, L.A.E.B.; Teixeira-Dias, J.J.C.. "Ab initio MO conformational study of ethylmethylamine". Journal of Molecular Structure: THEOCHEM 282 3 (1993): 199-209. http://www.scopus.com/inward/record.url?eid=2-s2.0-0010676973&partnerID=MN8TOARS.
    10.1016/0166-1280(93)85003-H
  107. Teixeira-Dias, J.J.C.; Fausto, R.; de Carvalho, L.A.E.B.. "Conformational analysis of carbonyl and thiocarbonyl esters: the HC(=X)YXXXCH(CH3)2(X,Y = O or S) internal rotation". Journal of Molecular Structure: THEOCHEM 262 C (1992): 87-103. http://www.scopus.com/inward/record.url?eid=2-s2.0-0345377127&partnerID=MN8TOARS.
    10.1016/0166-1280(92)85101-P
  108. de Carvalho, L.A.E.B.; Teixeira-Dias, J.J.C.; Fausto, R.. "The CH3CH2¿ internal rotation in thiopropionic acid as studied by ab initio SCF-MO method". Journal of Molecular Structure: THEOCHEM 208 1-2 (1992): 109-121. http://www.scopus.com/inward/record.url?eid=2-s2.0-44049123569&partnerID=MN8TOARS.
    10.1016/0166-1280(92)80011-A
  109. Fausto, R.; De Carvalho, L.A.E.B.; Teixeira-Dias, J.J.C.. "Conformational analysis of carbonyl and thiocarbonyl ethyl esters: The HC(¿X) (X, Y = O or S) internal rotation". Journal of Computational Chemistry 13 7 (1992): 799-809. http://www.scopus.com/inward/record.url?eid=2-s2.0-84986517153&partnerID=MN8TOARS.
    10.1002/jcc.540130703
  110. Teixeira-Dias, J.J.C.; Fausto, R.; de Carvalho, L.A.E.B.. "The Ca¿C internal rotation in a-alkyl substituted carbonyls and thiocarbonyls: CH(CH3)2C(¿X)YH (X, Y¿ O or S)". Journal of Computational Chemistry 12 9 (1991): 1047-1057. http://www.scopus.com/inward/record.url?eid=2-s2.0-84986518922&partnerID=MN8TOARS.
    10.1002/jcc.540120902
  111. Fausto, R.; De Carvalho, L.A.E.B.; Teixeira-Dias, J.J.C.. "Molecular structure and properties of thioacetic acid". Journal of Molecular Structure: THEOCHEM 207 1-2 (1990): 67-83. http://www.scopus.com/inward/record.url?eid=2-s2.0-0038267706&partnerID=MN8TOARS.
    10.1016/0166-1280(90)85155-G
  112. De Carvalho, L.A.E.B.; Da Costa, A.M.A.; Teixeira-Dias, J.J.C.. "A comparative ab initio MO study of internal rotations in ethylamine and n-propylamine". Journal of Molecular Structure: THEOCHEM 205 C (1990): 327-351. http://www.scopus.com/inward/record.url?eid=2-s2.0-0011112638&partnerID=MN8TOARS.
    10.1016/0166-1280(90)85132-7
  113. Batista De Carvalho, L.A.E.; Amorim Da Costa, A.M.; Teixeira-Dias, J.J.C.. "Temperature- and solvent-dependent raman bands of n-propylamine-N-d2: a conformational study". Journal of Molecular Structure 218 C (1990): 105-110. http://www.scopus.com/inward/record.url?eid=2-s2.0-0342630791&partnerID=MN8TOARS.
    10.1016/0022-2860(90)80251-E
  114. Batista de Carvalho, L.A.E.; Teixeira-Dias, J.J.C.; Fausto, R.. "A molecular mechanics force field for conformational analysis of aliphatic acyclic amines". Structural Chemistry 1 6 (1990): 533-542. http://www.scopus.com/inward/record.url?eid=2-s2.0-0001726685&partnerID=MN8TOARS.
    10.1007/BF00674129
  115. Fausto, R.; De Carvalho, L.A.E.B.; Teixeira-Dias, J.J.C.; Ramos, M.N.. "S-cis and s-trans Conformers of formic, thioformic and dithioformic acids. An ab initio study". Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics 85 12 (1989): 1945-1962. http://www.scopus.com/inward/record.url?eid=2-s2.0-37049078356&partnerID=MN8TOARS.
    10.1039/F29898501945
  116. de Carvalho, L.A.E.B.; da Costa, A.M.A.; Duarte, M.L.; Teixeira-Dias, J.J.C.. "Conformational studies of n-propylamine by combined ab initio MO calculations and Raman spectroscopy". Spectrochimica Acta Part A: Molecular Spectroscopy 44 7 (1988): 723-732. http://www.scopus.com/inward/record.url?eid=2-s2.0-5444230548&partnerID=MN8TOARS.
    10.1016/0584-8539(88)80134-X
  117. De Carvalho, L.A.E.B.; Da Costa, A.M.A.; Teixeira-Dias, J.J.C.; Barbosa, E.F.G.; Lampreia, I.M.S.. "Temperature-dependent intensities of Raman bands of di-n-butylamine". Journal of Raman Spectroscopy 18 2 (1987): 115-118. http://www.scopus.com/inward/record.url?eid=2-s2.0-84986833973&partnerID=MN8TOARS.
    10.1002/jrs.1250180209
  118. Amorim Da Costa, A.M.; Batista De Carvalho, L.A.E.; Teixeira-Dias, J.J.C.; Barbosa, E.F.G.; Lampreia, I.M.S.. "The temperature dependence of the Raman spectrum and gauche interactions of tri-N-butylamine: A conformational study". Canadian Journal of Chemistry 65 2 (1987): 384-390. http://www.scopus.com/inward/record.url?eid=2-s2.0-33846046993&partnerID=MN8TOARS.
    10.1139/v87-065
  119. Teixeira-Dias, J.J.C.; de Carvalho, L.A.E.B.; da Costa, A.M.A.; Lampreia, I.M.S.; Barbosa, E.F.G.. "Conformational studies by Raman spectroscopy and statistical analysis of gauche interactions in n-butylamine". Spectrochimica Acta Part A: Molecular Spectroscopy 42 5 (1986): 589-597. http://www.scopus.com/inward/record.url?eid=2-s2.0-0010299651&partnerID=MN8TOARS.
    10.1016/0584-8539(86)80139-8
Livro
  1. Batista De Carvalho, A.L.M.; Fiuza, S.M.; Tomkinson, J.; Batista De Carvalho, L.A.E.; Marques, M.P.M.. Pt(II) complexes with linear diamines. I-Vibrational study of Pt-diaminopropane. 2013.
    10.3233/978-1-61499-184-7-147
  2. Lopes, R.P.; Marques, M.P.M.; Valero, R.; Tomkinson, J.; Batista De Carvalho, L.A.E.. Guanine-A combined study using vibrational spectroscopy and theoretical methods. 2013.
    10.3233/978-1-61499-184-7-127
  3. Marques, M.P.; Carvalho, L.A.E.B.D.; Haris, P.I.. Proceedings of 14th European Conference on the spectroscopy of biological molecules. 2013.
  4. Marques, M.P.M.; Borges, F.; Amorim Da Costa, A.M.; Batista De Carvalho, L.A.E.. Vibrational spectroscopy studies on biologically relevant molecules: From anticancer agents to drugs of abuse. 2007.

Outros

Outra produção
  1. Conformational analysis and vibrational frequencies of alanine and its sulphur tautomers. Spectroscopy of Biological Molecules: New Directions. 1999. Batista de Carvalho, L. A.; Marques, M. P. M.; Teixeira-Dias, J. J. C.. http://dx.doi.org/10.1007/978-94-011-4479-7_36.
    10.1007/978-94-011-4479-7_36
Atividades

Orientação

Título / Tema
Papel desempenhado
Curso (Tipo)
Instituição / Organização
2020/09 - Atual New drugs to fight breast cancer: a close look into cellular response
Coorientador
Diutoramento em Biociências (Doutoramento)
Universidade de Coimbra Faculdade de Ciencias e Tecnologia, Portugal
2019/09 - Atual The potential of Raman spectroscopy for cervical cancer early diagnosis and screening
Coorientador
Doutoramento em Ciências da Saúde (Doutoramento)
Universidade de Coimbra Faculdade de Medicina, Portugal
2019/09 - Atual Quase Humano? Avaliando a Similaridade Quimiométrica entre Humanos e Outros Mamíferos em Contextos Envolvendo Ossos Queimados
Coorientador
Doutoramento em Antropologia Forense (Doutoramento)
Universidade de Coimbra Faculdade de Ciencias e Tecnologia, Portugal
2018/09 - Atual Diagnostics of the Future: Vibrational Spectroscopy for an Early Detection of Breast Cancer
Orientador
Doutoramento em Biociências (Doutoramento)
Universidade de Coimbra Faculdade de Ciencias e Tecnologia, Portugal
2016/01 - Atual The Discrimination of Individuals in Scattered or Commingled Human Remains Using Vibrational Spectroscopy and Chemometric Tools
Coorientador
Doutoramento em Antropologia Forense (Doutoramento)
Universidade de Coimbra Faculdade de Ciencias e Tecnologia, Portugal
2020/09 - 2021/09 Discriminação entre Ossos Humanos Queimados Recentes e Arqueológicos por Espetroscopia de Infravermelho Após Tratamento com Ácido Acético
Coorientador
Mestrado em Química Forense (Mestrado)
Universidade de Coimbra Faculdade de Ciencias e Tecnologia, Portugal
2018/09 - 2019/09 How Old are You? Na Attempt of Estimating Age at Death Through FTIR-ATR Analysis of Human Bones and Teeth
Orientador
mestrado em Química Forense (Mestrado)
Universidade de Coimbra Faculdade de Ciencias e Tecnologia, Portugal
2016/09 - 2017/09 Burned Bones: A Comparison of Methodological Approaches to Assess Heat-Induced Alterations
Orientador
Mestrado em Química Forense (Mestrado)
Universidade de Coimbra Faculdade de Ciencias e Tecnologia, Portugal
2014/08 - 2015/07 A influência do conteúdo de colagénio na deformação térmico-induzida de ossos queimados – contributos da espectroscopia vibracional
Coorientador
Mestrado em Evolução e Biologia Humanas (Mestrado)
Universidade de Coimbra Faculdade de Ciencias e Tecnologia, Portugal
2011/09 - 2012/07 Cisplatin interplay with DNA bases. A molecular view.
Coorientador
Mestrado em Bioquiímica (Mestrado)
Universidade de Coimbra Faculdade de Ciencias e Tecnologia, Portugal
2009 - 2012/01 Modelação da Cedência de Zidovudina a partir de Comprimidos Matriciais. Influência da Mistura de Polímeros Celulósicos e Acrílicos
Coorientador
Doutoramento em Ciências Farmacêuticas (Doutoramento)
Universidade de Coimbra Faculdade de Farmácia, Portugal
2009/09 - 2010/09 Estudo Conformacional de H2N(CH2)nNH2 (n=3,4)
Orientador
Mestrado em Química Avançada (Mestrado)
Universidade de Coimbra Faculdade de Ciencias e Tecnologia, Portugal
2009/09 - 2010/07 Estudo Teórico e Vibracional dos Ligandos Isopropilamina e Pirazole
Orientador
Mestrado em Química Avançada (Mestrado)
Universidade de Coimbra Faculdade de Ciencias e Tecnologia, Portugal
2005/10 - 2010/02 Complexos Polinucleares de Paládio (II) como novos Agentes Anticancerígenos: Relações Estrutura-Atividade
Orientador
Doutoramento em Bioquímica (Biofísica Molecular) (Doutoramento)
Universidade de Coimbra, Portugal