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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.

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.

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.}

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.
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
Blazy, J, Nunes S, Sousa C, Pimentel M.  2021.  Development of an HPFRC for Use in Flat Slabs. Fibre Reinforced Concrete: Improvements and Innovations. BEFIB 2020. RILEM Bookseries, vol 30.. :209-220.: Springer
Saif, HM, Huertas RM, Pawlowski S, Crespo JG, Velizarov S.  2021.  Development of highly selective composite polymeric membranes for Li+/ Mg2+ separation. Journal of Membrane Science. 620:118891.Website
Rajnak, M, Dolnik B, Hodermarsky P, Paulovicova K, Cimbala R, Timko M, Kopcansky P.  2021.  Dynamic Magnetic Response of Ferrofluids under a Static Electric Field. Physics of Fluids. 33(082006)
Saraiva, BM, Krippahl L, Filipe SR, Henriques R, Pinho MG.  2021.  eHooke: a tool for automated image analysis of spherical bacteria based on cell cycle progression. Biological Imaging. 1:e3.
Schuster, CS, Crupi I, Halme J, Koç M, Mendes MJ, Peters IM, Yerci S.  2021.  Empowering Photovoltaics with Smart Light Management Technologies. Handbook of Climate Change Mitigation and Adaptation. :1-84., New York: Springer
Moreira, IP, Sato L, Alves C, Palma S, Roque AC.  2021.  Fish gelatin-based films for gas sensing. BIODEVICES 2021 - 14th International Conference on Biomedical Electronics and Devices; Part of the 14th International Joint Conference on Biomedical Engineering Systems and Technologies, BIOSTEC 2021. :32–39.: SciTePress Abstract102062.pdf

Electronic noses (e-noses) mimic the complex biological olfactory system, usually including an array of gas sensors to act as the olfactory receptors and a trained computer with signal-processing and pattern recognition tools as the brain. In this work, a new stimuli-responsive material is shown, consisting of self-assembled droplets of liquid crystal and ionic liquid stabilised within a fish gelatin matrix. These materials change their opto/electrical properties upon contact with volatile organic compounds (VOCs). By using an in-house developed e-nose, these new gas-sensing films yield characteristic optical signals for VOCs from different chemical classes. A support vector machine classifier was implemented based on 12 features of the signals. The results show that the films are excellent identifying hydrocarbon VOCs (toluene, heptane and hexane) (95% accuracy) but lower performance was found to other VOCs, resulting in an overall 60.4% accuracy. Even though they are not reusable, these sustainable gas-sensing films are stable throughout time and reproducible, opening several opportunities for future optoelectronic devices and artificial olfaction systems.

Mendes, D, Sousa D, Cerdeira AC, Pereira LCJ, Marques A, Murta-Pina J, Pronto A, Ferreira I.  2021.  Low-cost and high-performance 3D printed YBCO superconductors. Ceramics International. 47:381-387.
Nunes, S, Pimentel M, Sousa C.  2021.  Mechanical and Fracture Behaviour of an HPFRC. Proceedings of RILEM-fib International Symposium on Fibre Reinforced Concrete, BEFIB2021. , Valencia Abstract

The current paper analyses the mechanical and fracture behaviour of a High-Performance Fibre Reinforced Concrete (HPFRC). An HPFRC was developed in a previous stage aiming to simultaneously, maximise aggregates content, achieve a compressive strength of 90–120 MPa and maintaining self-compactability (SF1+VS2). The benefits of fibres hybridisation (using fibres with lengths of 13, 35 and 60 mm) on flexural strength are investigated using the wedge-splitting test, in order to achieve the highest performance while keeping a relatively low fibre content. The final selected mixture was characterised in terms of workability, compressive strength and modulus of elasticity. Six notched prismatic specimens were subjected to three-point bending tests, according to EN 14651, for classification according to the MC2010. Based on the bending tests data, the simplified linear characteristic tensile stress vs. crack opening displacement relationship of the HPFRC was evaluated according to MC2010 and two other analytical approaches available in the literature.

Gigante, AM, Olivença F, Catalão MJ, Moniz-Pereira J, Filipe SR, Pimentel M.  2021.  The Mycobacteriophage Ms6 LysB N-terminus Displays Peptidoglycan Binding Affinity. Viruses. 13(7):1377.
Carvalho, G, Pereira M, Kiazadeh A, Tavares VG.  2021.  A Neural Network Approach towards Generalized Resistive Switching Modelling. Micromachines. 12(9):1132.
Frazão, J, Palma SICJ, Costa HMA, Alves C, Roque ACA, Silveira M.  2021.  Optical Gas Sensing with Liquid Crystal Droplets and Convolutional Neural Networks. Sensors. 21(8):2854.PDF
Matos, MJB, Trovão F, Gonçalves J, Rothbauer U, Freire MG, Barbosa AMJB, Pina AS, Roque ACA.  2021.  A purification platform for antibodies and derived fragments using a de novo designed affinity adsorbent. Separation and Purification Technology. 265
Peyroteo, M, Ferreira IA, Elvas LB, Ferreira JC, Lapão LV.  2021.  Remote Monitoring Systems for Patients With Chronic Diseases in Primary Health Care: Systematic Review. JMIR Mhealth and Uhealth. 9(12):1-11.
Ramou, E, Rebordao G, Palma SICJ, Roque ACA.  2021.  Stable and Oriented Liquid Crystal Droplets Stabilized by Imidazolium Ionic Liquids. MOLECULES. 26(19):6044.PDF
Sine, AG.  2021.  STRENGTHENING OF REINFORCED CONCRETE ELEMENTS WITH UHPFRC. Faculty of Engineering of the University of Porto. (Mário Pimentel, Sandra Nunes, Américo Dimande, Eds.)., Portostrengthening_of_rc_elements_with_uhpfrc_agsine.pdf