Coimbra Chemistry Centre (CQC)

In the colloid area, we highlight the study of the interactions between metal ions, surfactants and polymers in aqueous solution, evaluating and controlling properties such as the beginning of self-aggregation, types of aggregates formed, and the rheological behavior. Considering the pharmacological applications and the development of luminescent sensors and optoelectronic devices, NMR studies in combination with other techniques, such as theoretical and luminescence studies are also performed. Novel fibers, soft nanoparticles and new polymeric thickeners are being designed and prepared by improved understanding of the delicate balance between hydrophilic (often electrostatic) and hydrophobic interactions.

We aim at the development of new polymeric materials including cellulose-based polymers functionalization, conducting and luminescent sensing polymers and bio-hydrogels for drug delivery and water remediation. This is complemented by a background on transport property analysis, involving inter-, intra- and thermal diffusion of multicomponent systems in aqueous solution and through polymers. Our interests go from biomolecules and polyelectrolytes to advanced materials involving supercritical CO2 and supramolecular structures. The group is also strongly dedicated to computational chemistry using different approaches, with the main purpose of relating theory and experiment.

The photochemistry subunit covers a wide range of areas involving the study of excited state species and decay processes. State of the art equipment for fs-ns transient absorption, fs-UC and ps- and ns- time resolved fluorescence are available for a broad range of studies. Topics addressed include fundamental studies involving photophysical processes in various systems including indigo derivatives, and practical applications. Host-guest interactions of curcubiturils with fluorescent probes, photoCORMs, TTA-UC molecular systems, Au(I) – coumarin complexes, supramolecular chemosensors, and ligands aiming to to inhibit DNA telomerase in cancer cells are also being explored.

This laboratory develops processes for drug synthesis, namely photosensitizers and potential antibiotics to inactivate viruses and bacteria by photodynamic therapy. It also synthesizes radiopharmaceuticals and new chemical entities for medical imaging with continuous flow techniques. Its interests in medicinal chemistry synthesis with industrial sustainable processes are focused on the preparation of catalysts for transforming CO and CO2 into molecules with potential biological activity and for the photodegradation of antibiotics in the environment. It was here that the first photosensitizer licensed for clinical trials in Portugal was discovered - redaporfin - developed by the spin-off Luzitin SA.

This laboratory focuses on photochemistry, photobiology and photo-medicine, in order to try to understand how light interacts with molecules, materials and tissues. Alongside, models are developed and tested in order to understand and predict phenomena subsequent to light absorption, covering a wide variety of processes such as molecular reactivity, the responses of the immune system, drug-delivery and gene therapy. A new technology was created - piezoporation - which is commercialized in the cosmetics market by the spin-off LaserLeap SA. In addition to applications in the medical field, the group encourages fundamental research, covering areas as diverse as theory of element chemical reactions or sources of climate change.

The LCBM develops advanced research activities and human resources training in the field of molecular spectroscopy. It is a reference laboratory in matrix isolation infrared spectroscopy and in Raman spectroscopy. It has also available state of the art instrumentation for fs time-resolved infrared spectroscopy. Research topics of interest of the LCBM include: Photochemistry and reactive intermediates, vibrationally-induced chemistry, quantum mechanical tunneling in organic chemistry, polymorphism, chemical analysis of meteorites and geological materials, and pattern-recognition based on spectroscopic data as auxiliary diagnostic methods in biomedicine.

The Thermodynamics and Solid State Chemistry Laboratory is dedicated to the research and training of human resources in the areas of thermodynamics and solid state chemistry. A multidisciplinary approach using thermal, spectroscopic and computational methods is used in the fundamental and applied investigation of solid forms of organic compounds. Current research is focused on the thermodynamic and structural study of polymorphs and multicomponent pharmaceutical solids, with emphasis on solvent effects in the selective crystallization of polymorphs, on the rationalization of mesophase formation and on the investigation of co-crystals and co-amorphous phases with enhanced biopharmaceutical performance.

The major objective of the group is the understanding of the rules that govern permeability through biomembranes and their function as biological barriers. This includes studies on lipid bilayers and on the interactions of lipids and amphiphilic molecules with membrane proteins. The knowledge is applied on the prediction and control of the pharmacokinetics of active agents, namely their availability in tissues protected by tight endothelia such as the Brain. The homeostasis of lipids is another area of interest, including the development of hypocholesterolemic pharmaceutical agents and food ingredients. The methodologies followed are mostly biophysical, including experimental and computational approaches.

The research of the group is rooted in a long standing expertise on protein structure, stability and folding, and protein-ligand interactions, using a wide range of experimental and computational approaches. The main research focus has been directed to the study of molecular mechanisms of amyloid diseases, in particular transthyetin-dependent amyloidosis (ATTR), and the discovery and development of small-molecule therapeutics, an effort that lead to the creation of a spin-off biotech company (BSIM Therapeutics). More recently, the group has also expanded its interests in the identification and validation of biological targets in the areas of neuroinflammation and anti-virals.

This group focuses on the interaction of metal ions with biological systems regarding their essentiality and toxic effects as well as the development of metal-based drugs for therapy and diagnostics. Studies have been focused on the role of essential metal elements, the targets and mechanisms of toxic elements, the development of metal based drugs for therapy, diagnostic and multimodal agents for theranostics. The methodologies followed are mostly based on characterization of the metal based agents using spectroscopic techniques (UV-vis, fluorescence, EPR, relaxometry and NMR), complemented with in vitro, ex vivo and in vivo studies.

The major objectives of this group are on biomedical NMR and MRI, including the development and characterization of contrast agents for MRI and multimodal molecular imaging, including nanosystems for theranostics. The research proceeds in strong collaboration with the Bioinorganic Chemistry group, and more recently with the Biomembranes group for the development of contrast agents with higher availability in the brain. The group has a long term expertize and worldwide recognition on the development of NMR fundamentals and applications of this technique in the area of biological chemistry.