The Molecular Energetics Laboratory (MEL) examines the relationships between energetics, structural, and reactivity data. The MEL uses several classical calorimetric techniques, but also designs and builds their own instrumentation, including a prototype device for the study of biomolecular interactions (QCMHCC), in collaboration with CIQ-FCUP. The QCMHCC combines a biosensor with a micro-calorimeter, enabling the complete thermodynamic characterization of molecular interactions between biological species, with broad applications in biomedicine, particularly in drug screening and design.
Almeida, T. S.; Araújo, M. E. M.; Borges dos Santos, R. M.; José A. Martinho Simões, J. A. Influence of preparation procedures on the phenolic content, antioxidant and anti-diabetic activities of green and black teas. Brazilian Journal of Pharmaceutical Sciences (accepted).
Gangadhar, K. N.; Pereira, H.; Diogo, H. P.; Borges dos Santos, R. M.; Devi, B. L. A. P.; Prasad, R. B. N.; Custódio, L.; Malcata, F. X.; Varela, J.; Barreira, L. Assessment and comparison of the properties of biodiesel synthesized from three different wet microalgae biomass. J. Applied Phycology 2016, 28, 1571-1578.
Agapito, F.; Santos, R. C.; Borges dos Santos, R. M.; Martinho Simões, J. A. The Thermochemistry of Cubane 50 Years After Its Synthesis: A High-Level Theoretical Study of Cubane and Its Derivatives. Journal of Physical Chemistry A 2015, 119, 2998-3007.
PTDC/QUI-QUI/110542/2009 – “Thermochemistry of Oxygen Addition to Carbon-Centered Radicals”
PTDC/QUI/72631/2006 – “Thermodynamic Signature of the Pregnane Xenobiotic Receptor Activation by Quartz Crystal Microbalance with Heat Conduction Calorimetry”
POCTI/QUI/63166/2004 – “Theoretical and experimental studies of enzyme conformation, energetic and dynamics of CYP3A4”.