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2021
Sine, A, Pimentel M, Nunes S.  2021.  Punching Shear Tests on RC Flat Slabs Strengthened with an UHPFRC Layer, 2021. fib Symposium 2021. , Lisbonsine-fib2021_169_punching.pdf
Pimentel, M, Sine A, Nunes S.  2021.  Resistência ao punçoamento de lajes fungiformes reforçadas com UHPFRC, 2021. Reabilitar & Betão Estrutural 2020. , Lisbonrbe2020_artigo_puncoamento_1.pdf
Goodfellow, BJ, Freire F, Carvalho AL, Aveiro SS, Charbonnier P, Moulis J-M, Delgado L, Ferreira GC, Rodrigues JE, Poussin-Courmontagne P, Birck C, McEwen A, Macedo AL.  2021.  The SOUL family of heme-binding proteins: Structure and function 15 years later, 2021. 448:214189. AbstractWebsite

The SOUL, or heme-binding protein HBP/SOUL, family represents a group of evolutionary conserved putative heme-binding proteins that contains a number of members in animal, plant andbacterial species. The structures of the murine form of HEBP1, or p22HBP, and the human form of HEBP2, or SOUL, have been determined in 2006 and 2011 respectively. In this work we discuss the structures of HEBP1 and HEBP2 in light of new X-ray data for heme bound murine HEBP1. The interaction between tetrapyrroles and HEBP1, initially proven to be hydrophobic in nature, was thought to also involve electrostatic interactions between heme propionate groups and positively charged amino acid side chains. However, the new X-ray structure, and results from murine HEBP1 variants and human HEBP1, confirm the hydrophobic nature of the heme-HEBP1 interaction, resulting in Kd values in the low nanomolar range, and rules out any electrostatic stabilization. Results from NMR relaxation time measurements for human HEBP1 describe a rigid globular protein with no change in motional regime upon heme binding. X-ray structures deposited in the PDB for human HEBP2 are very similar to each other and to the new heme-bound murine HEBP1 X-ray structure (backbone rmsd ca. 1 Å). Results from a HSQC spectrum centred on the histidine side chain Nδ-proton region for HEBP2 confirm that HEBP2 does not bind heme via H42 as no chemical shift differences were observed upon heme addition for backbone NH and Nδ protons. A survey of the functions attributed to HEBP1 and HEBP2 over the last 20 years span a wide range of cellular pathways. Interestingly, many of them are specific to higher eukaryotes, particularly mammals and a potential link between heme release under oxidative stress and human HEBP1 is also examined using recent data. However, at the present moment, trying to relate function to the involvement of heme or tetrapyrrole binding, specifically, makes little sense with our current biological knowledge and can only be applied to HEBP1, as HEBP2 does not interact with heme. We suggest that it may not be justified to call this very small family of proteins, heme-binding proteins. The family may be more correctly called “the SOUL family of proteins related to cellular fate” as, even though only HEBP1 binds heme tightly, both proteins may be involved in cell survival and/or proliferation.

Lima, CDL, Coelho H, Gimeno A, Trovão F, Diniz A, Dias JS, Jiménez-Barbero J, Corzana F, Carvalho AL, Cabrita EJ, Marcelo F.  2021.  Structural insights into the molecular recognition mechanism of the cancer and pathogenic epitope, LacdiNAc by immune-related lectins, 2021. Chemistry – A European JournalChemistry – A European Journal. n/a(n/a): John Wiley & Sons, Ltd AbstractWebsite

Interactions of glycan-specific epitopes to human lectin receptors represent novel immune checkpoints for investigating cancer and infection diseases. By employing a multidisciplinary approach that combines isothermal titration calorimetry, NMR spectroscopy, molecular dynamics simulations, and X-ray crystallography, we disclosed the molecular determinants that govern the recognition of the tumour and pathogenic glycobiomarker LacdiNAc (GalNAc?1-4GlcNAc, LDN), including their comparison with the ubiquitous LacNAc epitope (Gal?1-4GlcNAc, LN), by two human immune-related lectins, galectin-3 (hGal-3) and the macrophage galactose C-type lectin (hMGL). A different mechanism of binding and interactions is observed for the hGal-3/LDN and hMGL/LDN complexes, which explains the remarkable difference in the binding specificity of LDN and LN by these two lectins. The new structural clues reported herein are fundamental for the chemical design of mimetics targeting hGal-3/hMGL recognition process.

Silva, PES, Chagas R, Fernandes SN, Pieranski P, Selinger RLB, Godinho MH.  2021.  Travelling colourful patterns in self-organized cellulose-based liquid crystalline structures, 2021. 2(1):79. AbstractWebsite

Cellulose-based systems are useful for many applications. However, the issue of self-organization under non-equilibrium conditions, which is ubiquitous in living matter, has scarcely been addressed in cellulose-based materials. Here, we show that quasi-2D preparations of a lyotropic cellulose-based cholesteric mesophase display travelling colourful patterns, which are generated by a chemical reaction-diffusion mechanism being simultaneous with the evaporation of solvents at the boundaries. These patterns involve spatial and temporal variation in the amplitude and sign of the helix´s pitch. We propose a simple model, based on a reaction-diffusion mechanism, which simulates the observed spatiotemporal colour behaviour.

Kumar, A, Cruz C, Figueirinhas JL, Sebastião PJ, Trindade AC, Fernandes SN, Godinho MH, Fossum JO.  2021.  Water Dynamics in Composite Aqueous Suspensions of Cellulose Nanocrystals and a Clay Mineral Studied through Magnetic Resonance Relaxometry, 2021. The Journal of Physical Chemistry BThe Journal of Physical Chemistry B. 125(46):12787-12796.: American Chemical Society AbstractWebsite
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Rossi, M, Isufi B, Ramos AP.  2021.  Seismic behavior of slab-column connections with varying flexural reinforcement ratio, 14-16 June 2021. fib Symposium 2021. , Lisbon
Isufi, B, Marreiros R, Ramos AP, Lúcio V.  2021.  Seismic behaviour of slab – column connections with various punching shear enhancement methods, 14-16 June 2021. fib Symposium 2021. , Lisbon
Silva, MA, Portela PC, Salgueiro CA.  2021.  Rational design of electron/proton transfer mechanisms in the exoelectrogenic bacteria Geobacter sulfurreducens, 07. Biochemical Journal. 478:2871-2887., Number 14 AbstractWebsite

{The redox potential values of cytochromes can be modulated by the protonation/deprotonation of neighbor groups (redox-Bohr effect), a mechanism that permits the proteins to couple electron/proton transfer. In the respiratory chains, this effect is particularly relevant if observed in the physiological pH range, as it may contribute to the electrochemical gradient for ATP synthesis. A constitutively produced family of five triheme cytochromes (PpcA−E) from the bacterium Geobacter sulfurreducens plays a crucial role in extracellular electron transfer, a hallmark that permits this bacterium to be explored for several biotechnological applications. Two members of this family (PpcA and PpcD) couple electron/proton transfer in the physiological pH range, a feature not shared with PpcB and PpcE. That ability is crucial for G. sulfurreducens’ growth in Fe(III)-reducing habitats since extra contributors to the electrochemical gradient are needed. It was postulated that the redox-Bohr effect is determined by the nature of residue 6, a leucine in PpcA/PpcD and a phenylalanine in PpcB/PpcE. To confirm this hypothesis, Phe6 was replaced by leucine in PpcB and PpcE. The functional properties of these mutants were investigated by NMR and UV–visible spectroscopy to assess their capability to couple electron/proton transfer in the physiological pH range. The results obtained showed that the mutants have an increased redox-Bohr effect and are now capable of coupling electron/proton transfer. This confirms the determinant role of the nature of residue 6 in the modulation of the redox-Bohr effect in this family of cytochromes, opening routes to engineer Geobacter cells with improved biomass production.}

Henriques, JT.  2021.  1D Fiber-shaped supercapacitors. FCT NOVA.
Mendes, DNDL, Gaspar A, Ferreira I, Mota JPB, Ribeiro RPPL.  2021.  3D-printed hybrid zeolitic/carbonaceous electrically conductive adsorbent structures. Chemical Engineering Research and Design. 174:442-453.
Pina, AS, Batalha IL, Dias AMGC, Roque ACA.  2021.  Affinity tags in protein purification and peptide enrichment: An overview, in Protein Downstream Processing: Design, Development, and Application of High and Low-Resolution Methods. Methods in Molecular Biology. :107-132.: Springer-Humana Press
Fernandes, CSM, Pina AS, Roque ACA.  2021.  Affinity-triggered hydrogels: Developments and prospects in biomaterials science. Biomaterials. 268:120563.
Gavinho, SR, Graça MP, Prezas P, Borges JB, Silva JC, Pires E, Armês H, Coucelo J.  2021.  Antibacterial bioglass in dental implants: a canine clinical study. European Journal of Public Health. 31(Supplement_2):ckab120.006. AbstractWebsite

Background
Peri-implantitis is considered the most challenging biological complication in implantology, as untreated disease can progress and result in implant loss. Therefore, disease prevention is crucial in daily clinical practice. It has been reported that the use of bioactive glass, as an implant coating, can stimulate tissue integration and accelerate tissue regeneration. Besides these properties, it is possible to promote bacterial activity by inserting silver into the bioglass

Methods
Bioglass with composition 45S5 was synthesised by the fusion method, replacing the amount of Na2CO3 by AgNO3 (BG 2% wt). The implants were resealed by the CoBlast® technique. Clinical cases with pathology of the mandible/maxilla were selected and implants dimensioned for the canine bone structure were applied.

Results
Three months after implantation, imaging exams, namely CT scans, showed no signs of early rejection by septic or cytotoxic loss. No decrease or loss of peri-implant bone was observed. In all cases the implants remained without signs of instability, and with sufficient support for the application of the exo-prosthesis or dental crown. The results of histological analysis showed no signs of infection or osteolysis. The zone of peri-implant fibrosis was not observable in the samples, showing a good evolution in implant osteointegration.

Conclusions
The results show promising evidences for the use of this biomaterial as a coating, since aseptic rejection, later on, and that related to the shape and biomaterials used in the implant's design, usually begins during the first 3 months.

Mariz, BP, Carvalho S, Batalha IL, Pina AS.  2021.  Artificial enzymes bringing together computational design and directed evolution. Organic & Biomolecular Chemistry. 19(9):1915-1925.
Duarte, VR, Rodrigues TA, Machado MA.  2021.  Benchmarking of Nondestructive Testing for Additive Manufacturing. 3D Printing and Additive Manufacturing. AbstractWebsite

Defect detection in additive manufacturing (AM) is of paramount importance to improve the reliability of products. Nondestructive testing is not yet widely used for defect detection. The main challenges are a lack of standards and methods, the types and location of defects, and the complex geometry of many parts. During selective laser melting (SLM), several types of defects can occur such as porosity, cracking, and lack of fusion. In this study, several nondestructive tests were conducted in a highly complex shaped part in AISI 316L stainless steel with real defects manufactured by SLM. Two additional artificial defects (one horizontal and one flat bottom hole) were produced and the defect detectability was evaluated. The techniques used were as follows: dye penetrant, infrared thermography, immersion ultrasonic, eddy current, and X-ray microcomputed tomography to assess different types of defects in the as-built part. We conclude that no single technique can detect every type of defect, although multiple techniques provide complementary and redundant information to critically evaluate the integrity of the parts. This approach is fundamental for improving the reliability of defect detection, which will help expand the potential for using AM to produce parts for critical structural applications.

Ramanaiaha, SV, Cordas CM, Matias SC, Reddyd MV, Leitão JH, Fonseca LP.  2021.  Bioelectricity generation using long-term operated biocathode: RFLP based microbial diversity analysis. Biotechnology Reports. 32:e00693.
PEREIRA, JOÃOFILIPESOUSA.  2021.  CARATERIZAÇÃO DE UMA MISTURA COMERCIAL DE UM MATERIAL CIMENTÍCIO DE ULTRAELEVADO DESEMPENHO. Faculty of Engineering of the University of Porto. (Sandra Nunes, Ed.)., Portotese_final_final_signed.pdf
C.M., C, J.J.G. M, A. E, R. M.  2021.  Carbon dioxide utilisation - bioelectrochemical approaches. Enzymes for Solving Humankind's Problems, Moura J.J.G., Moura I., Maia L.B. (eds). :83-108.
L.B., M, I. M, J.J.G. M.  2021.  Carbon dioxide utilisation - the formate route. Enzymes for Solving Humankind's Problems, Moura J.J.G., Moura I., Maia L.B. (eds). :29-81.: Springerco2_utilisation-formate_formation-2021.pdf
Faria, J, Dionísio B, Soares I, Baptista AC, Marques AC, Gonçalves L, Bettencourt A, Baleizão C, Ferreira I.  2021.  Cellulose acetate fibres loaded with daptomycin for metal implant coatings. Carbohydrate polymers. :118733. AbstractWebsite

Multifunctional polymeric coatings containing drug delivery vehicles can play a key role in preventing/reducing biofilm formation on implant surfaces. Their requirements are biocompatibility, good adhesion, and controllable drug release. Although cellulose acetate (CA) films and membranes are widely studied for scaffolding, their applications as a protective coating and drug delivery vehicle for metal implants are scarce. The reason is that adhesion to stainless steel (SS) substrates is non-trivial. Grinding SS substrates enhances the adhesion of dip-coated CA films while the adhesion of electrospun CA membranes is improved by an electrosprayed chitosan intermediate layer. PMMA microcapsules containing daptomycin have been successfully incorporated into CA films and fibres. The released drug concentration of 3 x10-3 mg/mL after 120 minutes was confirmed from the peak luminescence intensity under UV radiation of simulated body fluid (SBF) after immersion of the fibres.

Shlapa, Yu.; Timashkov, VSGMSKBI; K;.  2021.  Characterization of CeO2 Nanoparticles Synthesized by the Precipitation in the Water-Alcohol Solutions. New Journal of Chemistry.
Oliveira, RD, Mouquinho A, Centeno P, Alexandre M, Haque S, Martins R, Fortunato E, Águas H, Mendes MJ.  2021.  Colloidal Lithography for Photovoltaics: An Attractive Route for Light Management. Nanomaterials. 11(7):1665.
Silva, PES, da Rosa RR, Chagas R, Fernandes SN, Godinho MH.  2021.  Colourful Patterns in Cellulose-Based Liquid Crystals. Liquid Crystals and their Application. 21(4):53-60.412702article_2021_21_4_53-60.pdf
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