Luís Alberto E. Batista de Carvalho (janeiro de 1961, Coimbra, Portugal) licenciou-se (Hons) pelo Departamento de Química da Faculdade de Ciências e Tecnologia da Universidade de Coimbra (1984) e doutorou-se em Química, especialidade Físico-Química, pela Faculdade de Ciências da Universidade de Lisboa (1993). Atualmente é professor associado do Departamento de Química da Universidade de Coimbra e coordenador da Unidade de I&D Química-Física Molecular.
Ao longo da sua carreira tem desenvolvido diversos projetos de investigação científica, em colaboração com grupos nacionais e internacionais, nas áreas da Química Medicinal, Tecnologia Farmacêutica e Química/Antropologia Forense com especial ênfase na aplicação de técnicas espectroscópicas: i) à análise estrutural de compostos de interesse biológico; ii) ao desenvolvimento de novos agentes anticancerígenos contendo Pt e Pd (em particular, à determinação de novos alvos terapêuticos de forma a otimizar a eficácia e minimizar os efeitos secundários e a resistência adquirida); iii) ao estudo das interações fármaco/célula em sistemas modelo (linhas celulares cancerígenas) com vista à compreensão dos mecanismos moleculares subjacentes à atividade citotóxica; e iv) à análise das alterações induzidas por processos de queima em esqueletos humanos. Tem utilizado preferencialmente espetroscopia vibracional, óptica e com neutrões, incluindo espetroscopia microRaman e FTIR com radiação de sincrotrão.
Recentemente, e em conjugação com os temas acima mencionados que continua a desenvolver, iniciou um projeto de investigação que visa aplicar técnicas de espetroscopia vibracional ao diagnóstico precoce do cancro e à determinação rigorosa de margens cirúrgicas (na remoção de tumores malignos). Este tema envolve não só o desenvolvimento metodológico mas também a construção de um novo aparelho de espetroscopia Raman que aumente a rapidez do diagnóstico com vista a traduzir esta tecnologia para a clínica num futuro próximo.
| Endereço Departamento de Química Faculdade de Ciências e Tecnologia Universidade de Coimbra 3004-535 Coimbra |
E-mail labc@ci.uc.pt Telefone +351 239 854 462 |
ORCID ID ResearcherID Scopus ID ResearchGate Ciência Vitae |
Publicações
Presente – 2015 | 2014 – 2005 | 2004 – 1995 | 1994 – 1985
Vibrational microspectroscopy as a tool to unveil new chemotherapeutic strategies against osteosarcoma
R.C. Laginha, J.D. Silva, G. Cinque, L.A.E. Batista de Carvalho, A.L.M. Batista de Carvalho
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy (2024)
XRF Identification of sharp-force trauma in fresh and dry human bone under varied experimental heat conditions
J. Rosa, L.A.E. Batista de Carvalho, M.P.M. Marques, M.T. Ferreira, D. Gonçalves, F.P.S.C. Gil,
Science and Justice 64(3), 305-313 (2024)
Cervical Squamous Cell Carcinoma Diagnosis by FTIR Microspectroscopy
M.M. Félix, M.V. Tavares, I.P. Santos, A.L.M. Batista de Carvalho, L.A.E. Batista de Carvalho, M.P.M. Marques
Molecules 29, 922 (2024)
The Effects of Exogenous Substances on the Color of Heated Bones
J. Rosa, L.A.E. Batista de Carvalho, F.P.S.C. Gil, M.P.M. Marques, M.T. Ferreira, D. Gonçalves
American Journal of Biological Anthropology, e24905 (2024)
Variation in the use of anthropogenic materials in tit nests: influence of human activities and pandemic restrictions
J. Girão, F. Bessa, J. Garrido-Bautista, B. Ferreira, C. Santos-Baena, M.P.M. Marques, L.A.E. Batista de Carvalho, J.A. Ramos, A.C. Norte
Urban Ecosystems (2024)
Microplastics ingestion and endocrine disrupting chemicals (EDCs) by breeding seabirds in the east Tropical Atlantic: associations with trophic and foraging proxies (δ15N and δ13C)
D.M. Matos, J.A. Ramos, A.L.C. Brandão, A. Baeta, I. Rodrigues, I. dos Santos, J. Coentro, J.O. Fernandes, L.A.E. Batista de Carvalho, M.P.M. Marques, S.C. Cunha, S. Santos, S. Antunes, V. Silva, V.H. Paiva
Science of the Total Environment, 168664 (2024)
Infrared Spectroscopy to Assess Manufacturing Procedures of Bone Artefacts from the Chalcolithic Settlement of Vila Nova de São Pedro (Portugal)
D. Gonçalves, J. Rosa, A.L.C. Brandão, A. Martins, C. Neves, M. Diniz, J.M. Arnaud, M.P.M. Marques, L.A.E. Batista de Carvalho
Applied Sciences 13, 8280 (2023)
Anthropogenic debris ingestion in a tropical seabird community: Insights from taxonomy and foraging distribution
D.M. Matos, J.A. Ramos, F. Bessa, V. Silva, I. Rodrigues, S. Antunes, I. dos Santos, J. Coentro, A.L.C. Brandão, L.A.E. Batista de Carvalho, M.P.M. Marques, S. Santos, V.H. Paiva
The Science of the Total Environment, 165437 (2023)
In-Situ Anaerobic Heating of Human Bones Probed by Neutron Diffraction
G. Festa, A.P. Mamede, D. Gonçalves, E. Cunha, W. Kockelmann, S.F. Parker, L.A.E. Batista de Carvalho, M.P.M. Marques
Analytical Chemistry 95(4), 2469-2477 (2023)
Spectrochemical analysis of seasonal and sexual variation of antioxidants in Corema album (L.) D. Don leaf extracts
D.J.S. Silva, J.A.V. Santos, J.C.N. Pinto, E.J. Llorent-Martinez, P.C. Castilho, L.A.E. Batista de Carvalho, M.P.M. Marques, M.J. Barroca, A.M. da Silva, R.M.F. da Costa
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 299, 122816 (2023)
Cellular Dynamics as a Marker of Normal-to-Cancer Transition in Human Cells
M.P.M. Marques, A.L.M. Batista de Carvalho, C.B. Martins, J.D. Silva, M. Sarter, V. García Sakai, R. Stewart, L.A.E. Batista de Carvalho
Scientific Reports 13, 21709 (2023)
Reduced Recalcitrance and Improved Pulp Properties in Eucalypt Woods Pretreated with White-Rot Fungi and Mild Alkali
R.M.F. da Costa, B. Almeida, A. Portugal, R. Simister, L.D. Gomez, A.L. Winters, B.D. Hauck, M. Bosch, L.A.E. Batista Carvalho, J.P.L. Canhoto, M.D.G.V.S. Carvalho
Industrial & Engineering Chemistry Research 62(49), 21033-21047 (2023)
Differentiating present-day from ancient bones by vibrational spectroscopy upon acetic acid treatment
A.L.C. Brandão, L.A.E. Batista de Carvalho, D. Gonçalves, G. Piga, E. Cunha, M.P.M. Marques
Forensic Science International 347, 111690 (2023)
Exploring the Conformational Equilibrium of Mefenamic Acid Released from Silica Aerogels via NMR Analysis
I. Khodov, V. Sobornova, V. Mulloyarova, K. Belov, A. Dyshin, L.A.E. Batista de Carvalho, P. Tolstoy, M. Kiselev
International Journal of Molecular Sciences 24(8), 6882 (2023)
Plastisphere assemblages differ from the surrounding bacterial communities in transitional coastal environments
J. Marques, A. Ares, J. Costa, M.P.M. Marques, L.A.E. Batista de Carvalho
Science of The Total Environment 869, 161703 (2023)
Antioxidant Potential of Tamarillo Fruits—Chemical and Infrared Spectroscopy Analysis
M. Rito, J. Marques, R.M.F. da Costa, S. Correia, T. Lopes, D. Martín, J.M.P.L. Canhoto, L.A.E. Batista de Carvalho, M.P.M. Marques
Antioxidants 12(2), 536 (2023)
A Non-Conventional Platinum Drug against a Non-Small Cell Lung Cancer Line
J.D. Silva, J. Marques, I.P. Santos, A.L.M. Batista de Carvalho, C.B. Martins, R.C. Laginha, L.A.E. Batista de Carvalho, M.P.M. Marques
Molecules 28(4), 1698 (2023)
Evaluation of the Cytotoxic Effect of Pd2Spm against Prostate Cancer through Vibrational Microspectroscopies
R.C. Laginha, C.B. Martins, A.L.C. Brandão, J. Marques, M.P.M. Marques, L.A.E. Batista de Carvalho, I.P. Santos, A.L.M. Batista de Carvalho
International Journal of Molecular Sciences 24(3), 1888 (2023)
Burned and Buried: a Vibrational Spectroscopy Analysis of Burial-related Diagenetic Changes of Heat-altered Human Bones
J.D.N. Rosa, A.R. Vassalo, A.I.C.C.M. Amarante, L.A.E. Batista de Carvalho, M.P.M. Marques, M.T.S. Ferreira, D. Gonçalves
American Journal of Biological Anthropology 1–14 (2023)
Reaching new Heights: Testing the Performance of Metric Approaches to Estimate Stature from Burned Skeletal Remains
B. Wolska, A.R. Vassalo, M.P.M. Marques, L.A.E. Batista de Carvalho, D. Gonçalves
Journal Forensic Sciences 68(1), 252–256 (2023)
Conformational Analysis of Mefenamic Acid in scCO2-DMSO by the 2D NOESY Method
K.V. Belov, L.A.E. Batista de Carvalho, A.A. Dyshin, M.G. Kiselev, V.V. Sobornova, I.A. Khodov
Journal of Physical Chemistry B 16(7), 1191-1199 (2022)
Breast Cancer or Surrounding Normal Tissue? A Successful Discrimination by FTIR and Raman Microspectroscopies
A.P. Mamede, I.P. Santos, A.L.M. Batista de Carvalho, P. Figueiredo, M.C. Silva, M.P.M. Marques, L.A.E. Batista de Carvalho
Analyst 147(21), 4919–4932 (2022)
Water Dynamics in Human Cancer and Non-Cancer Tissues
M.P.M. Marques, I.P. Santos, A.L.M. Batista de Carvalho, A.P. Mamede, C.B. Martins, P. Figueiredo, M. Sarter, V. Garcia Sakai, L.A.E. Batista de Carvalho
Physical Chemistry Chemical Physics 24(25), 15406–15415 (2022)
Unravelling Pine Response to Fusarium circinatum infection Through Raman Spectroscopy
D. Martín, I.P. Santos, P. Monteiro, J. Amaral, R. da Costa, J. Martín-Garcia, M.P.M. Marques, L.A.E. Batista de Carvalho, G. Pinto
Journal of Raman Spectroscopy 53(12), 2086–2099 (2022)
Chemical Trace Analysis by XRF to Detect Sharp Force Trauma in Fresh and Burned Bone
J. Rosa, L.A.E. Batista de Carvalho, M.T. Ferreira, D. Gonçalves, M.P.M. Marques, F.P.S.C. Gil
Science & Justice 62(5), 484–493 (2022)
Vibrational Spectroscopy to Study Ancient Roman Funerary Practices at the “Hypogeum of the Garlands” (Italy)
G. Festa, M. Rubini, P. Zaio, A. Gozzi, N. Libianchi, S.F. Parker, G. Romanelli, L.A.E. Batista de Carvalho, M.P.M. Marques
Scientific Reports 12(1), 3707 (2022)
Valorisation Potential of Invasive Acacia dealbata, A. longifolia and A. melanoxylon from Land Clearings
R.M. da Costa, M. Bosch, R. Simister, L.D. Gomez, J.M. Canhoto, L.A.E. Batista de Carvalho
Molecules 27(20), 7006 (2022)
Unveiling the compositional remodelling of Arbutus unedo L. fruits during ripening
M.P. Marques, D. Martin, M. Bosch, J. Martins, A.K. Biswal, M. Zuzarte, L.A.E. Batista de Carvalho, J. Canhoto, R. da Costa
Scientia Horticulturae 303, 111248 (2022)
Towards Neutron Scattering Identification of Olive Oil’s Antioxidant Properties
R. Senesi, C. Andreani, P. Baglioni, L. A. E. Batista de Carvalho, S. Licoccia, M. P. M. Marques, G. Moretti, A. Noce, R. Paolesse, S. F. Parker, E. Preziosi, G. Romanelli, A. Romani, N. Di Daniele
Neutron News 32(2), 2-3 (2021)
The Potential of Chemometric Analyses in the Examination of Burnt Human Skeletal Remains
D. Gonçalves, G. Piga, L.A.E. Batista de Carvalho, M.P.M. Marques
European Journal of Anatomy – New Trends in Forensic Anthropology, Ed. C. Rissech, 25(S2) 103–127 (2021)
The Impact of Moderate Heating on Human Bones: An Infrared and Neutron Spectroscopy Study
M.P.M. Marques, L.A.E. Batista de Carvalho, D. Gonçalves, E. Cunha, S.F. Parker
Royal Society Open Science 8(10), 210774 (2021)
Novel Insights into Corema album Berries: Vibrational Profile and Biological Activity
J. Marques, D. Martin, A.M. Amado, V. Lysenko, N. Osório, L.A.E. Batista de Carvalho, M.P.M. Marques, M.J. Barroca, A. Moreira da Silva
Plants 10(9), 1761 (2021)
New Insights on the Vibrational Dynamics of 2-Methoxy-, 4-Methoxy- and 4-Ethoxy-benzaldehyde from INS Spectra and Periodic DFT Calculations
P.J.A. Ribeiro-Claro, P.D. Vaz, M.M. Nolasco, F.P.S.C. Gil, L.A.E. Batista de Carvalho, M.P.M. Marques, A.M. Amado
Materials 14(16), 4561 (2021)
Metallodrug–Protein Interaction Probed by Synchrotron Terahertz and Neutron Scattering Spectroscopy
L.A.E. Batista de Carvalho, A.P. Mamede, A.L.M. Batista de Carvalho, J. Marques, G. Cinque, S. Rudić, M.P.M. Marques
Biophysical Journal 120(15), 3070–3078 (2021)
Looking for Minor Polar Compounds in Extra Virgin Olive Oils Using Neutron and Raman Spectroscopies
R. Senesi, C. Andreani, P. Baglioni, L.A.E. Batista de Carvalho, S. Licoccia, M.P.M. Marques, G. Moretti, A. Noce, R. Paolesse, S.F. Parker, E. Preziosi, G. Romanelli, A. Romani, N. Di Daniele
Antioxidants – Special Issue Olive “Antioxidants: Extraction, Biological Activity and Practical Applications” 10(5), 643 (2021)
The Association of Osteochemometrics and Bone Mineral Density in Humans
M. Pedrosa, M.T. Ferreira, L.A.E. Batista de Carvalho, M.P.M. Marques, F. Curate
American Journal Physical Anthropology 176(3), 434–444 (2021)
Nutraceutical Properties of Tamarillo Fruits: A Vibrational Study
D. Martin, T. Lopes, S. Correia, J. Canhoto, M.P.M. Marques, L.A.E. Batista de Carvalho
Spectrochimica Acta Parte A – Molecular and Biomolecular Spectroscopy 252, 119501 (2021)
Profiling of Human Burned Bones: Oxidising versus Reducing Conditions
M.P.M. Marques, D. Gonçalves, A.P. Mamede, T. Coutinho, E. Cunha, W. Kockelmann, S.F. Parker, L.A.E. Batista de Carvalho
Scientific Reports 11(1), 1361 (2021)
Biorefining Potential of Wild-Grown Arundo donax, Cortaderia selloana and Phragmites australis and the Feasibility of White-Rot Fungi-Mediated Pretreatments
R.M.F. da Costa, A. Winters, B. Hauck, D. Martín, M. Bosch, R. Simister, L.D. Gomez, L.A.E. Batista de Carvalho, J.M. Canhoto
Frontiers in Plant Science 12, 679966 (2021)
FTIR Screening to Elucidate Compositional Differences in Maize Recombinant Inbred Lines with Contrasting Saccharification Efficiency Yields
A. López-Malvar, R. Santiago, R.A. Malvar, D. Martín, I.P. dos Santos, L.A.E. Batista de Carvalho, L. Faas, L.D. Gómez, R.M.F. da Costa
Agronomy 11(6), 1130 (2021)
Study of physiological and biochemical events leading to vitrification of Arbutus unedo L. cultured in vitro
M.P. Marques, J. Martins, L.A.E. Batista de Carvalho, M.R. Zuzarte, R.M.F. da Costa, J. Canhoto
Trees 35, 241–253 (2021)
Comparability of Raman Spectroscopic Configurations: A Large Scale Cross-Laboratory Study
S. Guo, C. Beleites, U. Neugebauer, S. Abalde-Cela, N. Kristian Afseth, F. Alsamad, S. Anand, C. Araujo-Andrade, S. Aškrabić, E. Avci, M. Baia, M. Baranska, E. Baria, L.A.E. Batista de Carvalho, P. Bettignies, A. Bonifacio, F. Bonnier, E. Maria Brauchle, H.J. Byrne, I. Chourpa, R. Cicchi, F. Cuisinier, M. Culha, M. Dahms, C. David, L. Duponchel, S. Duraipandian, S.F. El-Mashtoly, D.I. Ellis, G. Eppe, G. Falgayrac, O. Gamulin, B. Gardner, P. Gardner, K. Gerwert, E.J. Giamarellos-Bourboulis, S. Gizurarson, M. Gnyba, R. Goodacre, P. Grysan, O. Guntinas-Lichius, H. Helgadottir, V.M. Grošev, C. Kendall, R. Kiselev, M. Kölbach, C. Krafft, S. Krishnamoorthy, P. Kubryck, B. Lendl, P. Loza-Alvarez, F.M. Lyng, S. Machill, C. Malherbe, M. Marro, M.P.M. Marques, E. Matuszyk, C.F. Morasso, M. Moreau, H. Muhamadali, V. Mussi, I. Notingher, M.Z. Pacia, F.S. Pavone, G. Penel, D. Petersen, O. Piot, J.V. Rau, M. Richter, M.K. Rybarczyk, H. Salehi, K. Schenke-Layland, S. Schlücker, M. Schosserer, K. Schütze, V. Sergo, F. Sinjab, J. Smulko, G. Sockalingum, C. Stiebing, N. Stone, V. Untereiner, R. Vanna, K. Wieland, J. Popp, T. Bocklitz
Analytical Chemistry 92(24), 15745–15756 (2020)
The Drying Process of Sarcocornia Perennis: Impact on Nutritional and Physico-chemical Properties
M.J. Barroca, R.P.F. Guiné, A.M. Amado, S. Ressurreição, A. Moreira da Silva, M.P.M. Marques, L.A.E. Batista de Carvalho
Journal of Food Science Technology 57(12), 4443–4458 (2020)
Intracellular Water as a Mediator of Anticancer Drug Action
M.P.M. Marques, A.L.M. Batista de Carvalho, A.P Mamede, S. Rudic, A. Dopplapudi, V. García Sakai, L.A.E. Batista de Carvalho
International Reviews in Physical Chemistry 39(1), 67–81 (2020)
Role of intracellular water in the normal-to-cancer transition in human cells – insights from quasi-elastic neutron scattering
M.P.M. Marques, A.L.M. Batista de Carvalho, A.P. Mamede, A. Dopplapudi, V. García Sakai, L.A.E. Batista de Carvalho
Structural Dynamics 7(5), 054701 (2020)
A New Look into the Mode of Action of Metal-Based Anticancer Drugs
M.P.M. Marques, A.L.M. Batista de Carvalho, A.P. Mamede, A. Dopplapudi, S. Rudić, M. Tyagi, V. García Sakai, L.A.E. Batista de Carvalho
Molecules 25(2), 246 (2020)
Chemosteometric Regression Models of Heat Exposed Human Bones to Determine their Pre-burnt Metric Dimensions
D. Gonçalves, A.R. Vassalo, C. Makhoul, G. Piga, A.P. Mamede, S.F. Parker, M.T. Ferreira, E. Cunha, M.P.M. Marques, L.A.E. Batista de Carvalho
American Journal Biological Anthropology 173(4), 734–747 (2020)
Beyond Metrics and Morphology: the Potential of FTIR-ATR and Chemometrics to Estimate Age-at-death in Human Bone
M. Pedrosa, F. Curate, L.A.E. Batista de Carvalho, M.P.M. Marques, M.T. Ferreira
International Journal of Legal Medicine 134(5), 1905–1914 (2020)
Spectroscopic Characterization and Efflux Pump Modulation of a Thiophene Curcumin Derivative
M.M. Oliveira, H.S. Santos, H.D.M Coutinho, P.N. Bandeira, P.T. da Silva, T.S. Freitas, J.E. Rocha, J.C. Xavier, F.F. Campina, C.R.S. Barbosa, J.B. Araújo Neto, R.L.S. Pereira, M.M.C. Silva, D.F. Muniz, A.M.R. Teixeira, V.M. Frota, T.H.S. Rodrigues, A.M. Amado, M.P.M. Marques, L.A.E. Batista de Carvalho, C.E.S. Nogueira
Journal of Molecular Structure 1215(5), 128291 (2020)
Surface Enhanced Raman Spectroscopy for Quantitative Analysis: Results of a Large-scale European Multi-instrument Interlaboratory Study
S. Fornasaro, F. Alsamad, M. Baia, L.A.E. Batista de Carvalho, C. Beleites, H.J. Byrne, A. Chiadò, M. Chis, M. Chisanga, A. Daniel, J. Dybas, G. Eppe, G. Falgayrac, K. Faulds, H. Gebavi, F. Giorgis, R. Goodacre, D. Graham, P. La Manna, S. Laing, L. Litti, F.M. Lyng, K. Malek, C. Malherbe, M.P.M. Marques, M. Meneghetti, E. Mitri, V.Mohacek-Grosev, C. Morasso, H. Muhamadali, P. Musto, C. Novara, M. Pannico, G. Penel, O. Piot, T. Rindzevicius, E. Rusu, M.S. Schmidt, V. Sergo, G.D. Sockalingum, V. Untereiner, R. Vanna, E. Wiercigroch, A. Bonifacio
Analytical Chemistry 92(5), 4053–4064 (2020)
Shedding Light into the Health-beneficial Properties of Corema Album – A Vibrational Spectroscopy Study
D. Martin, J. Marques, A.M. Amado, M.J. Barroca, A. Moreira da Silva, L.A.E. Batista de Carvalho, M.P.M. Marques
Journal of Raman Spectroscopy 51(2), 313–322 (2020)
Human Bone Probed by Neutron Diffraction: the Burning Process
A.P. Mamede, M.P.M. Marques, A.R. Vassalo, E. Cunha, D. Gonçalves, S.F. Parker, W. Kockelmann, L.A.E. Batista de Carvalho
Royal Society of Chemistry 9(63), 36640–36648 (2019)
Old Burned Bones Tell Us About Past Cultures
G. Festa, C. Andreani, M. Baldoni, V. Cipollari, C. Martínez-Labarga, F. Martini, O. Rickards, M.F. Rolfo, L. Sarti, N. Volante, R. Senesi, F.R. Stasolla, S.F. Parker, A.R. Vassalo, A.P. Mamede, L.A.E. Batista de Carvalho, M.P.M. Marques
Spectroscopy Europe 31(4), 18–21 (2019)
FTIR Spectroscopy and DFT Calculations to Probe the Kinetics of β-Carotene Thermal Degradation
D. Martin, A.M. Amado, A.G. Gonzálvez, M.P.M. Marques, L.A.E. Batista de Carvalho, A. González Ureña
Journal of Physical Chemistry A 123(25), 5266–5273 (2019)
First Analysis of Ancient Burned Skeletal Human Remains Probed by Neutron and Optical Vibrational Spectroscopy
G. Festa, C. Andreani, M. Baldoni, V. Cipollari, C. Martínez-Labarga, F. Martini, O. Rickards, M.F. Rolfo, L. Sarti, N. Volante, R. Senesi, F.R. Stasolla, S.F. Parker, A.R. Vassalo, A.P. Mamede, L.A.E. Batista de Carvalho, M.P.M. Marques
Science Advances 5(6), eaaw1292 (2019)
Chemotherapeutic Targets in Osteosarcoma Insights from Synchrotron-MicroFTIR and Quasi-Elastic Neutron Scattering
M.P.M. Marques, A.L.M. Batista de Carvalho, A.P. Mamede, I.P. Santos, V. García-Sakai, A. Dopplapudi, G. Cinque, M. Wolna, P. Gardner, L.A.E. Batista de Carvalho
The Journal of Physical Chemistry B 123, 6968–6979 (2019)
Anticancer Drug Impact on DNA – A Study by Neutron Spectroscopy coupled to Synchrotron-based FTIR and EXAFS
A.L.M. Batista de Carvalho, A.P. Mamede, A. Dopplapudi, V. Garcia Sakai, J. Doherty, M. Frogley, G. Cinque, P. Gardner, D. Gianolio, L.A.E. Batista de Carvalho, M.P.M. Marques
Physical chemistry Chemical Physics 21(8), 4162–4175 (2019)
Heat-induced Bone Diagenesis Probed by Vibrational Spectroscopy
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
Scientific Reports 8(1), 1–13 (2018)
Potential of Bioapatite Hydroxyls for Research on Archaeological Burned Bone
A.P. Mamede, A.R. Vassalo, G. Piga, E. Cunha, S.F. Parker, M.P.M. Marques, L.A.E. Batista de Carvalho, D. Gonçalves
Analytical Chemistry 90(19), 11556–11563 (2018)
Biomaterials from Human Bone – Probing Organic Fraction Removal by Chemical and Enzymatic Methods
A.P. Mamede, A.R. Vassalo, E. Cunha, D. Gonçalves, S.F. Parker, L.A.E. Batista de Carvalho, M.P.M. Marques
Royal Society Chemical 8, 27260–27267 (2018)
Crystal Clear: Vibrational Spectroscopy Reveals Intra-bone, Intra-skeleton and Inter-skeleton Variation in Human Bones
D. Gonçalves, A.R. Vassalo, A.P. Mamede, C. Makhoul, G. Piga, E. Cunha, M.P.M. Marques, L.A.E. Batista de Carvalho
American Journal of Physical Anthropology 166(2), 296–312 (2018)
Burned Bones Tell Their Own Stories: A Review of Methodological Approaches to Assess Heat-induced Diagenesis
A.M.P. Mamede, D. Gonçalves, M.P.M. Marques, L.A.E. Batista de Carvalho
Applied Spectroscopy Reviews 53(8), 603–635 (2018)
Calixarene functionalization of TiO2nanoarrays: An effective strategy for enhancing the sensor versatility
I. Oueslati, A. Ghrairi, E.S. Ribeiro, L.A.E. Batista de Carvalho, J.M. Gil, J.A. Paixão
Journal of Materials Chemistry A 6,10649 (2018)
Novel Platinum-based Anticancer Drug: a Complete Vibrational Study
A.L.M. Batista de Carvalho, S.F. Parker, L.A.E Batista de Carvalho, M.P.M. Marques
Acta Chrystallographica Section C – Structural Chemistry C74, 628–634 (2018)
An EXAFS Approach to the Study of Polyoxometalate-Protein Interaction: the Case of Decavanadate-Actin
M.P.M. Marques, D. Gianolio, S. Ramos, L.A.E. Batista de Carvalho, M. Aureliano
Inorganic Chemistry 56(18), 10893–10903 (2017)
Intracellular Water – an Overlooked Drug Target? Cisplatin´s Impact in Cancer Cells Probed by Neutrons
M.P.M. Marques, A.L.M. Batista de Carvalho, V. Garcia-Sakai, L. Hatter, L.A.E. Batista de Carvalho
Physical Chemistry Chemical Physics 19, 2702–2713 (2017)
Anomalous Surface-enhanced Raman Scattering of Aromatic Aldehydes and Carboxylic Acids
N.F Machado, M.P.M. Marques, L.A.E. Batista de Carvalho, J.L. Castro, J.C. Otero
Journal of Raman Spectroscopy 48(3), 413–417 (2017)
Vibrational Spectra and DFT Conformational Analysis of 1,3-diaminopropane and its N-deuterated and N-ionised Derivatives
S.R.O. Mendes, A.M. Amado, J. Tomkinson, M.P.M. Marques, L.A.E. Batista de Carvalho
New Journal of Chemistry 18, 10132–10147 (2017)
Geochemical and Mineralogical Fingerprints to Distinguish the Exploited Ferruginous Mineralisations of Grotta della Monaca (Calabria, Italy)
L.A. Dimuccio, N. Rodrigues, F. Larocca, J. Pratas, A.M. Amado, L. Batista de Carvalho
Spectrochimica Acta 173, 704–720 (2017)
Vibrational and conformational studies of 1,3-diaminopropane and its N-deuterated and N-ionised derivatives
S.R.O. Mendes, A.M. Amado, J. Tomkinson, M.P.M. Marques, L.A.E. Batista de Carvalho
New journal of chemistry 41(18), 10132-10147 (2017)
Osteometrics in Burned Human Skeletal Remains by Neutron and Optical Vibrational Spectroscopy
M.P.M. Marques, D. Gonçalves, A.I.C. Amarante, C.I. Makhoul, S.F. Parker, L.A.E. Batista de Carvalho
RSC Advances 6, 68638–68641 (2016)
Rather yield than break: assessing the influence of human bone collagen content on heat-induced warping through vibrational spectroscopy
A.R. Vassalo, E. Cunha, L.A.E. Batista de Carvalho, D. Gonçalves
International Journal of legal medicine 130, 1647-1656 (2016)
Raman Spectroscopic Evidence for the Inclusion of Decanoate Ion in Trimethyl-β-Cyclodextrin
A.F. Seiça, L.A.E. Batista de Carvalho, M.P.M. Marques, J.J.C. Teixeira-Dias
Vibrational Spectroscopy 85, 175–180 (2016)
The importance of suppressing spin diffusion effects in the accurate determination of the spatial structure of a flexible molecule by nuclear Overhauser effect spectroscopy
I.A. Khodov, S.V. Efimov, V.V. Klochkov, L.A.E. Batista de Carvalho, M.G. Kiselev
Journal of Molecular Structure 1106, 373-381 (2016)
Characterization of Decavanadate and Decaniobate Solutions by Raman Spectroscopy
M. Aureliano, C.A. Ohlin, M.O. Vieira, M.P.M. Marques, W.H. Casey, L.A.E. Batista de Carvalho
Dalton Transactions 45, 7391–7399 (2016)
Chemotherapeutic Response to Cisplatin-like Drugs in Human Breast Cancer Cells Probed by Vibrational Microspectroscopy
A.L.M. Batista de Carvalho, M. Pilling, P. Gardner, J. Doherty, G. Cinque, K. Wehbe, C. Kelley, L.A.E. Batista de Carvalho, M.P.M. Marques
Faraday Discussions 187, 273–298 (2016)
Conformational Study and Reassessment of the Vibrational Assignments for Norspermidine
T.M. Silva, S. M. Fiuza, M.P.M. Marques, L.A.E. Batista de Carvalho, A.M. Amado
Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy 157, 227–237 (2016)
A Molecular View of Cisplatin´s Mode of Action: Interplay with DNA Bases and Acquired Resistance
M.P.M. Marques, D. Gianolio, G. Cibin, J. Tomkinson, S.F. Parker, R. Valero, R.P. Lopes, L.A.E. Batista de Carvalho
Physical Chemistry Chemical Physics 2015(17), 5155-5171 (2015)
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]
M.P.M. Marques, L.A.E. Batista de Carvalho, S.F. Parker
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 136, 347 (2015)
On the Correction of Calculated Vibrational Frequencies for the Effects of the Counterions – α,ω-diamine dihydrochlorides
S. M. Fiuza, T. M. Silva, M. P. Marques and L. A. E. Batista de Carvalho, A. M. Amado
Journal of Molecular Modelling 21, 266 (2015)
Conformational insights and vibrational study of a promising anticancer agent: the role of the ligand in Pd(II)–amine complexes
S. M. Fiuza, A. M. Amado, S. F. Parker, M. P. M. Marques, L. A. E. Batista de Carvalho
New Journal of Chemistry 39(8), 6274–6283 (2015)
An Inelastic Neutron Scattering Study of Dietary Phenolic Acids
M.P.M. Marques, L.A.E. Batista de Carvalho, R. Valero, N.F.L. Machado, S.F. Parker
Physical Chemistry Chemical Physics 2014(16), 7491-7500 (2014)
Determination of preferred conformations of ibuprofen in chloroform by 2D NOE spectroscopy
I.A. Khodov, S.V. Efimov, V.V. Klochkov, G.A. Alper, L.A.E. Batista de Carvalho
European Journal of Pharmaceutical Sciences 65, 65-73 (2014)
Highly ordered luminescent calix[4]azacrown films showing an emission response selective to volatile tetrahydrofuran
I. Oueslati, J.A. Paixão, A. Shkurenko, K. Suwinska, J.S. Seixas de Melo, L.A.E. Batista de Carvalho
Journal of Materials Chemistry C 2(42), 9012-9020 (2014)
On the Relevance of Considering the Intermolecular Interactions on the Prediction of the Vibrational Spectra of Isopropylamine
A.M. Amado, S.M. Fiuza, L. A. E. Batista de Carvalho, P. J. A. Ribeiro-Claro
Journal of Chemistry 2013, 682514 (2013)
Applying Vibrational Spectroscopy to the Study of Nucleobases – Adenine as a Case-Study
R.P. Lopes, R. Valero, J. Tomkinson, M.P.M. Marques, L.A.E. Batista de Carvalho
SNew Journal of Chemistry 37(9), 2691-2699 (2013)
New Sustained Release Zidovudine Matrix Tablets – Cytotoxicity Towards Caco-2 Cells
J.V. Santos, M.E.T. Pina, M.P.M. Marques, L.A.E. Batista de Carvalho
Drug Development and Industrial Pharmacy 39(8), 1154-1166 (2013)
A conformational study of hydroxyflavones by vibrational spectroscopy coupled to DFT calculations
N.F.L. Machado, L.A.E. Batista de Carvalho, J.C. Otero, M.P.M. Marques
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 109,116-124 (2013)
Polymorphism in Cisplatin Anticancer Drug
M.P.M. Marques, R. Valero, S.F. Parker, J. Tomkinson, L.A.E. Batista de Carvalho
The Journal of Physical Chemistry B 117(21), 6421–6429 (2013)
The Role of Polyamines in the Design of Anticancer Drugs
S.M. Fiuza, A.M. Amado, M.P.M. Marques, L.A.E. Batista de Carvalho
FEBS Journal 280(S1), 312 (2013)
Gamma scintigraphy in the analysis of ketoprofen behaviour from matrix tablets
M.L. Vueba, A. Rodrigues, P. Lourenço, L.A.E. Batista de Carvalho, F. Veiga, J.J. Sousa, M.E. Pina
International Journal of Pharmaceutics 448(1), 298-304 (2013)
In vitro release of ketoprofen from hydrophilic matrix tablets containing cellulose polymer mixtures
M.L. Vueba, L.A.E. Batista de Carvalho, F. Veiga, J.J. Sousa, M.E. Pina
Drug Development and Industrial Pharmacy 39(11), 1651-1662 (2013)
A Conformational Study of Hydroxylated Isoflavones by Vibrational Spectroscopy Coupled to DFT Calculations
N.F.L. Machado, L.A.E. Batista de Carvalho, J.C. Otero, M.P.M. Marques
Vibrational Spectroscopy 68, 257–265 (2013)
On the Effects of Changing Gaussian Program Version and SCRF Defining Parameters: Isopropylamine as a Case Study
A.M. Amado, S.M. Fiuza, L.A.E. Batista de Carvalho, P.J.A. Ribeiro-Claro
Bulletin of the Chemical Society of Japan 85(9), 962-975 (2012)
Functional and Structural Interactions of Nb, V, Mo and W Oxometalates with the Sarcoplasmic Reticulum Ca2+-ATPase Reveal New Insights Into Inhibition Processes: a Combination of NMR, Raman, AA and EPR Spectroscopies with Kinetic Studies
G. Fraqueza, L. Carvalho, M.P.M. Marques, C.A. Ohlin, W.H. Casey, M. Aureliano
FEBS Journal 279(S1), 439 (2012)
Guanine: A Combined Study Using Vibrational Spectroscopy and Theoretical Methods
R.P. Lopes, M.P.M. Marques, R. Valero, J. Tomkinson, L.A.E. Batista de Carvalho
Spectroscopy: An International Journal 27(5-6),403-413 (2012)
Conformational Behaviour of Antioxidant Chromones – A Vibrational Spectroscopy Study
N.F.L. Machado, R. Valero, H. Domingos, J. Tomkinson, L.A.E. Batista de Carvalho, J.C. Otero, M.P.M. Marques
Vibrational Spectroscopy 63, 325-337 (2012)
The Autooxidation Process in Linoleic Acid Screened by Raman Spectroscopy
N.F.L. Machado, L.A.E. Batista de Carvalho, J.C. Otero, M.P.M. Marques
Journal of Raman Spectroscopy 43(12), 1991–2000 (2012)
Decavanadate, Decaniobate, Tungstate and Molybdate Interactions with Sarcoplasmic Reticulum Ca2+-ATPase: Quercetin Prevents Cysteine Oxidation by Vanadate but does not Reverse ATPase Inhibition
G. Fraqueza, L.A.E. Batista de Carvalho, M.P.M. Marques, L. Maia, C.A. Ohlin, W.H. Casey, M. Aureliano
Dalton Transactions 41, 12749-12758 (2012)
Pt(II) Complexes with Linear Diamines — Part I: Vibrational Study of Pt-Diaminopropane
A.L.M. Batista de Carvalho, S.M. Fiuza, J. Tomkinson, L.A.E. Batista de Carvalho, M.P.M. Marques
Spectroscopy: An International Journal 27(5-6), 403-413 (2012)
Validation of the mPW1PW Quantum Chemical Calculations for the Vibrational Study of Organic Molecules – Re-assignment of the Isopropylamine Vibrational Spectra
S. Padrão, S.M. Fiuza, A.M. Amado, A.M. Amorim da Costa, L.A.E. Batista de Carvalho
Journal of Physical Organic Chemistry 24(2), 110–121 (2011)
Development and Validation of a RP-HPLC Method for Determination of Zidovudine and its Related Substances in Sustained Release Tablets
J.V. Santos, L.A.E. Batista de Carvalho, M.E. Pina
Analytical Sciences 27(3), 283-289 (2011)
Inelastic Neutron Scattering Study of PtII Complexes Displaying Anticancer Properties
L.A.E. Batista de Carvalho, M.P.M. Marques, C. Martin, S.F. Parker, J. Tomkinson
ChemPhysChem 12(7), 1334–1341 (2011)
Biologic Activity of a Dinuclear Pd(II)–Spermine Complex Toward Human Breast Cancer
S.M. Fiuza, J. Holy, L.A.E. Batista de Carvalho, M.P.M. Marques
Chemical Biology & Drug Design 77(6), 477–488 (2011)
The Influence of the Compression Force on Zidovudine Release from Matrix Tablets
J.V. Santos, L.A.E. Batista de Carvalho, M.E. Pina
AAPS PharmSciTech 11(3), 1442-1448 (2010)
Conformational and Vibrational Study of cis-diamminedichloropalladium(II)
S.M. Fiuza, A.M. Amado, H.F. dos Santos, M.P.M. Marques, L.A.E. Batista de Carvalho
Physical Chemistry Chemical Physics 12, 14309-14321 (2010)
Characterization of Pt-,Pd-Spermine Complexes for their Effect on Polyamine Pathway and Cisplatin Resistance in A2780 Ovarian Carcinoma Cells
R. Tummala, P. Diegelman, S.M. Fiuza, L.A.E. Batista de Carvalho, M.P.M. Marques, D.L. Kramer, K. Clark, S. Vujcic, C.W. Porter, L. Pendyala
Oncology Reports 24(1), 5-24 (2010)
Biogenic Polyamines: The Structural Variable
M.P.M. Marques, A.M.A. Amorim da Costa, J. Tomkinson, R. Calheiros, L.A.E. Batista de Carvalho
Amino Acids 37(Suppl 1), 1956–1965 (2009)
Conformational Stability of Ibuprofen: Assessed by DFT Calculations and Optical Vibrational Spectroscopy
M.L. Vueba, M.E. Pina, L.A.E. Batista de Carvalho
Journal of Pharmaceutical Sciences 97, 845-859 (2008)
Use of Effective Core Potential Calculations for the Conformational and Vibrational Study of Platinum(II) Anticancer Drugs. cis-Diamminedichloroplatinum(II) as a Case Study
S. Fiuza, A.M. Amado, M.P.M. Marques and L.A.E. Batista de Carvalho
The Journal of Physical Chemistry A 112(14), 3253–3259 (2008)
The Role of Zidovudine on Erradication of Vertical Transmission of AIDS
J.V. Santos, L.A.E. Batista de Carvalho, and M.E. Pina
Latin American Journal of Pharmacy 27(2), 303-313 (2008)
Conformational and Vibrational Study of Platinum(II) Anticancer Drugs: cis-Diamminedichloroplatinum (II) as a Case Study
A.M. Amado, S.M Fiuza, M.P.M. Marques, L.A.E. Batista de Carvalho
The Journal of Chemical Physics 127, 185104(1-10) (2007)
Effect of the Metal Center on the Antitumor Activity of the Analogous Dinuclear Spermine Chelates (PdCl2)(2)(Spermine) and (PtCl2)(2)(Spermine)
A.S. Soares, S. Fiuza, M.J. Goncalves, L.A.E. Batista de Carvalho, M.P.M. Marques , A.M. Urbano
Letters in Drug Design & Discovery 4, 460-463 (2007)
Vibrational Spectroscopy Studies on Linear Polyamines
M.P.M. Marques, L.A.E. Batista de Carvalho
Biochemical Society Transactions 35, 374-380 (2007)
Transverse Acoustic Modes of Biogenic and α,ω-polyamines: A Study by Inelastic Neutron Scattering and Raman Spectroscopies Coupled to DFT Calculations
L.A.E. Batista de Carvalho, M.P.M. Marques, J. Tomkinson
Journal of Physical Chemistry A 110, 12947-12954 (2006)
Influence of Cellulose Ether Mixtures on Ibuprofen Release: MC25, HPC and HPMC K100M
M.L. Vueba, L.A.E. Batista de Carvalho, F. Veiga, J.J. Sousa, M.E. Pina
Pharmaceutical Development and Technology 11, 213-228 (2006)
Drug-Excipient Interactions in Ketoprofen: A Vibrational Spectroscopy Study
L.A.E. Batista de Carvalho, M.P.M. Marques, J. Tomkinson
Biopolymers 82, 420-424 (2006)
Pt(II) vs Pd(II) Polyamine Complexes as New Anticancer Drugs: A Structure-Activity Study
S.M. Fiuza, A.M. Amado, L.A.E. Batista de Carvalho, P.J. Oliveira, V.A. Sardão, M.P.M Marques
Letters in Drug Design & Discovery 3, 149-151 (2006)
Conformational Study of Ketoprofen by Combined DFT Calculations and Raman Spectroscopy
M.L. Vueba, M.E. Pina, F. Veiga, J.J. Sousa, L.A.E. Batista de Carvalho
International Journal of Pharmacology 307, 56-65 (2006)
Role of Cellulose Ether Polymers on Ibuprofen Release From Matrix Tablets
M.L. Vueba, L.A.E. Batista de Carvalho, F. Veiga, J.J. Sousa, E M.E. Pina
Drug Development and Industrial Pharmacy 31, 653-665 (2005)
Theoretical Studies on Solid a,w-Diamine Salts
A.M. Amado, S. Fiúza, J.C. Otero, M.P.M. Marques, L.A.E. Batista de Carvalho
Lecture Series on Computer and Computational Sciences 4, 21-24 (2005)
Performance of Different DFT/ECP Combinations in the Study of Platinum Anticancer Drugs
S. Fiúza, A.M. Amado, J.C. Otero, M.P.M. Marques, L.A.E. Batista de Carvalho
Lecture Series on Computer and Computational Sciences 4, 191-194 (2005)
Influence of Cellulose Ether Polymers on Ketoprofen Release from Hydrophilic Matrix Tablets
M.L. Vueba, L.A.E. Batista de Carvalho, F. Veiga, J.J. Sousa, M.E. Pina
European Journal of Pharmaceutics and Biopharmaceutics 58, 73-81 (2004)
Intra- versus Interchain Interactions in α,ω-Polyamines: A Raman Spectroscopy Study
A.M. Amorim da Costa, M.P.M. Marques, L.A.E. Batista de carvalho
Vibrational Spectroscopy 35, 165-171 (2004)
Raman Spectra of Putrescine, Spermidine and Spermine Polyamines and their N-Deuterated and N-Ionised Derivatives
A.M. Amorim da Costa, M.P.M. Marques, L.A.E. Batista de Carvalho
Journal of Raman Spectroscopy 34, 357-366 (2003)
Conformational Study of Pt(II) Complexes with Polyamines as Possible New Anticancer Agents
M.P.M. Marques, L.A.E. Batista de Carvalho, J. Tomkinson
The Rutherford Appleton Laboratory, ISIS Facility Annual Report (2002-2003)
Study of Carvedilol by Combined Raman Spectroscopy and Ab Initio MO Calculations
M.P.M. Marques, P.J. Oliveira, A.J.M. Moreno, L.A.E. Batista de Carvalho
Journal of Raman Spectroscopy 33 (10), 778-783 (2002)
The Carbon-Hydrogen Stretching Region of the Raman Spectra of 1,6-Hexane-diamine: N-Deuteration, Ionization and Temperature Effects
A.M. Amorim da Costa, M.P.M. Marques, L.A.E. Batista de Carvalho
Vibrational Spectroscopy 29, 61-67 (2002)
Study of Biogenic and α,ω-Polyamines by Combined Inelastic Neutron Scattering and Raman Spectroscopies, and Ab Initio MO Calculations
M.P.M. Marques, L.A.E. Batista de Carvalho, J. Tomkinson
The Journal of Physical Chemistry A 106, 2473-2482 (2002)
Conformational Studies on Biogenic Polyamines
M.P.M. Marques, L.A.E. Batista de Carvalho, J. Tomkinson
The Rutherford Appleton Laboratory, ISIS Facility Annual Report (2001-2002)
Raman Spectra of Putrescine, Spermidine and Spermine Polyamines and Their N-Deuterated and N-Ionised Derivatives
A.M. Amorim da Costa, M.P.M. Marques, L.A.E. Batista de Carvalho
J. Mink, G. Jalsovszky e G. Keresztury (Eds.). XVIII International Conference on Raman Spectroscopy. John Wiley & Sons Ltd, Chichester, 735 (2002)
Conformational Analysis of the Protonated Amines [H3N(CH2)nNH3]2+ (n=7 to 10, n=12), Spermidine and Spermine
L.A.E. Batista de Carvalho, M.P.M. Marques, J. Tomkinson
J. Mink, G. Jalsovszky e G. Keresztury (Eds.). XVIII International Conference on Raman Spectroscopy. John Wiley & Sons Ltd, Chichester, 597 (2002)
Effects of Carvedilol on Isolated Heart Mitochondria: Evidences for a Protonophoretic Mechanism
P.J. Oliveira, M.P.M. Marques, L.A.E. Batista de Carvalho, A.J.M. Moreno
Biochemical and Biophysical Research Communications 276, 82-87 (2000)
Theoretical Approach to the Conformational Preferences of Putrescine
M.P.M. Marques, L.A.E. Batista de Carvalho
D.M.L. Morgan, A. White, F. Sánchez-Jiménez and S. Bardocz (Eds.). COST 917: Biogenically Active Amines in Food. European Commission, Luxembourg, vol. IV, 122-129 (2000)
Conformational Studies on Biogenic Polyamines
M.P.M. Marques, L.A.E. Batista de Carvalho, J. Tomkinson
The Rutherford Appleton Laboratory, ISIS Facility Annual Report (1999-2000)
Conformational Analysis of the Protonated Diamines [H3N(CH2)nNH3]2+ (n=2 to 6)
L.A.E. Batista de Carvalho, M.P.M. Marques
S.-L. Zhang e B.-F. Zhu (Eds.). XVII International Conference on Raman Spectroscopy. John Wiley & Sons Ltd, Chichester, 822 (2000)
Structural Studies on Biogenic Polyamines by Combined Raman and INS Spectroscopies and Ab Initio Methods
M.P.M. Marques, L.A.E. Batista de Carvalho, J. Tomkinson
S.-L. Zhang e B.-F. Zhu (Eds.). XVII International Conference on Raman Spectroscopy, John Wiley & Sons Ltd, Chichester, 818 (2000)
Oxygen-by-Sulphur Substitutions in Glycine: Conformational and Vibrational Effects
L.A.E. Batista de Carvalho, M.P.M. Marques, J.J.C. Teixeira-Dias
Journal of the Chemical Society-Perkin Transactions 2, 2507-2514 (1999)
Conformational Study of 1,2-Diaminoethane by Combined Ab Initio MO Calculations and Raman Spectroscopy L.A.E. Batista de Carvalho, L.E. Lourenço, M.P.M. Marques
Journal of Molecular Structure 482, 639-646 (1999)
Structural Study of Putrescine by Combined Raman Spectroscopy and ab initio methods
M.P.M. Marques and L.A.E. Batista de Carvalho
J. Greve, G.J. Puppels e C. Otto (Eds.). Spectroscopy of Biological Molecules: New Directions. Kluwer Academic Publishers, Dordrecht, 431-432 (1999)
Conformational Analysis and Vibrational Frequencies of Alanine and Its Sulphur Tautomers
L.A.E. Batista de Carvalho, M.P.M. Marques and J.J.C. Teixeira-Dias
J. Greve, G.J. Puppels e C. Otto (Eds.). Spectroscopy of Biological Molecules: New Directions. Kluwer Academic Publishers, Dordrecht, 77 (1999)
Conformational Analysis of Biologically Relevant Diamines by Raman Spectroscopy and Ab Initio MO Calculations
L.A.E. Batista de Carvalho, M.P.M. Marques
A.M. Heyns (Ed.). XVI International Conference on Raman Spectroscopy. John Wiley & Sons Ltd, Chichester, 232 (1998)
Conformational Analysis of Piperazine by Vibrational Spectroscopy and Ab Initio Calculations
M.P.M. Marques and L.A.E. Batista de Carvalho,
P.Carmona, R. Navarro e A. Hernanz (Eds.). Spectroscopy of Biological Molecules: Modern Trends. Kluwer Academic Publishers, Dordrecht, 549 (1997)
Evidence of Dimerization Through CH…O Hydrogen Bonds in Liquid 4-Methoxy-Benzaldehyde from Raman Spectra and ab initio Calculations
P.J.A. Ribeiro-Claro, L.A.E. Batista de Carvalho, A.M. Amado
Journal of Raman Spectroscopy 28, 867-872 (1997)
Conformational Analysis of Glycine and Its Sulphur Tautomer by Ab Initio MO Methods
L.A.E. Batista de Carvalho, M.P.M. Marques and J.J.C. Teixeira-Dias
P.Carmona, R. Navarro e A. Hernanz (Eds.). Spectroscopy of Biological Molecules: Modern Trends. Kluwer Academic Publishers, Dordrecht, 547 (1997)
Raman spectra, conformational stability and normal coordinate analysis of ethylmethylamine
L.A.E. Batista de Carvalho and J.J.C. Teixeira-Dias
Journal of Raman Spectroscopy 26, 653-661 (1995)
Structural Study of Some Even Chain Length Lead(II) α,ω-Dicarboxylates
L.A.E. Batista de Carvalho, H.D. Burrows, A.M. Amorim da Costa, J.J.C. Teixeira-Dias
N.T. Yu e X.Y. Li (Eds). XIV International Conference on Raman Spectroscopy. John Wiley & Sons Ltd, Chichester, 704-705 (1994)
Conformational Analysis of Dimethylethylamine: an Ab initio MO Study and comparision with ethylamine and ethylmethylamine
L.A.E. Batista de Carvalho and J.J.C. Teixeira-Dias
Journal of Molecular Structure (THEOCHEM) 282, 211-221 (1993)
Ab initio MO Conformational Study of Ethylmethylamine
L.A.E. Batista de Carvalho and J.J.C. Teixeira-Dias
Journal of Molecular Structure (THEOCHEM) 282, 199-209 (1993)
Conformational Studies in Organic Liquids
J.J.C. Teixeira-Dias, L.A.E. Batista de Carvalho and P.J.A. Ribeiro-Claro
J.J.C. Teixeira-Dias (Ed.). “Molecular Liquids: New Perspectives in Physics and Chemistry“, NATO ASI Series, Kluwer Academic Publications, Dordrecht, vol. C379, 147 (1992)
Conformational Analysis of Carbonyl and Thiocarbonyl Esters: the HC(=X)Y—CH(CH3)2 (X,Y = O or S) Internal Rotation
J.J.C. Teixeira-Dias, R. Fausto and L.A.E. Batista de Carvalho
Journal of Molecular Structure (THEOCHEM) 262, 87-103 (1992)
Conformational Analysis of Carbonyl and Thiocarbonyl Ethyl Esters: the HC(=X)Y—CH2CH3 (X,Y = O or S) Internal Rotation
R. Fausto, L.A.E. Batista de Carvalho and J.J.C. Teixeira-Dias
Journal of Computational Chemistry 13, 799-809 (1992)
The Cα—C Internal Rotation in α-Alkyl Substituted Carbonyls and Thiocarbonyls: CH(CH3)2—(C=X)YH (X,Y = O or S)
J.J.C. Teixeira-Dias, R. Fausto and L.A.E. Batista de Carvalho
Journal of Computational Chemistry 12, 1047-1057 (1991)
Conformational Study of Myosin by Raman Spectroscopy and Molecular Mechanics Calculations
P.J.A. Ribeiro-Claro, J.J.C. Teixeira-Dias, E.M.V. Pires, L.A.E. Batista de Carvalho, M. Aureliano, A.M. Amado
Spectroscopy Biological Molecules, Special Publications – Royal Society of Chemistry 31-32 (1991)
A Vibrational Raman Spectrocopic Study of Myosin and Myosin-Vanadate Interactions
J.J.C. Teixeira-Dias, E.M.V. Pires, P.J.A. Ribeiro-Claro, L.A.E. Batista de Carvalho, M. Aureliano, A.M. Amado
“Cellular Regulation by Protein Phosphorylation”, Livro de Comunicações, NATO ASI Séries, Springer-Verlag, Heidelberg, 29-33 (1991)
A Molecular Mechanics Force Field for Conformational Analysis of Aliphatic Acyclic Amines
L.A.E. Batista de Carvalho, J.J.C. Teixeira-Dias, R. Fausto
Structural Chemistry 1, 533-542 (1990)
The CH3CH2— Internal Rotation in Thiopropionic Acid as Studied by Ab Initio SCF-MO Method
L.A.E. Batista de Carvalho, J.J.C. Teixeira-Dias, R. Fausto
Journal of Molecular Structure (THEOCHEM) 208, 109-121 (1990)
Molecular Structure and Properties of Thioacetic Acid
R. Fausto, L.A.E. Batista de Carvalho, J.J.C. Teixeira-Dias
Journal of Molecular Structure (THEOCHEM) 207, 67-83 (1990)
Temperature and Solvent-Dependent Raman Bands of n-Propylamine N-d2: A Conformational Study
L.A.E. Batista de Carvalho, A.M. Amorim da Costa, J.J.C.Teixeira-Dias
Journal of Molecular Structure 218, 105-110 (1990)
A Comparative ab initio Study of Internal Rotations in Ethylamine and n-Propylamine
L.A.E. Batista de Carvalho, A.M. Amorim da Costa, J.J.C. Teixeira-Dias
Journal of Molecular Structure (THEOCHEM) 205, 327-351 (1990)
s-cis and s-trans conformers of Formic, Thioformic and Dithioformic Acids: An Ab Initio Study
R. Fausto, L.A.E. Batista de Carvalho, J.J.C. Teixeira-Dias, M.N. Ramos
Journal of the Chemical Society-Perkin-Faraday Transactions II 85, 1945-1962 (1989)
Conformational Studies of n-propylamine by Combined ab initio MO calculations and Raman Spectroscopy
L.A.E. Batista de Carvalho, A.M. Amorim da Costa, M.L. Duarte, J.J.C. Teixeira Dias
Spectrochimica Acta 44A, 723-732 (1988)
Temperature-Dependent Intensities of Raman Bands of n-Propylamine-N-d2
L.A.E. Batista de Carvalho, A.M. Amorim da Costa, M.L. Duarte, J.J.C. Teixeira-Dias
R.J.H. Clark e D.A. Long (Eds.). XI International Conference on Raman Spectroscopy. John Wiley & Sons Ltd, Chichester, 897-898 (1988)
The Temperature dependence of the Raman Spectrum and Gauche Interactions of tri-n-Butylamine: A Conformational Study
A.M. Amorim da Costa, L.A.E. Batista de Carvalho, J.J.C. Teixeira-Dias, E.F.G. Barbosa, I.M.S. Lampreia
Canadian Journal of Chemistry 65, 384-390 (1987)
Temperature-dependent Intensities of Raman Bands of di-n-Butylamine
L.A.E. Batista de Carvalho, A.M. Amorim da Costa, J.J.C. Teixeira-Dias, E.F.G. Barbosa, I.M.S. Lampreia
Journal of Raman Spectroscopy 18, 115-118 (1987)
Conformational Studies by Raman Spectroscopy and Statistical Analysis of Gauche Interactions in n-butylamine
J.J.C. Teixeira-Dias, L.A.E. Batista De Carvalho, A.M. Amorim da Costa, I.M.S. Lampreia, E.F.G. Barbosa
Spectrochimica Acta 42 A, 589-597 (1986)