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2023
Botelho, M. C., T. Coelho, and H. Rocha Fluência representacional: a Matemática na resolução de problemas de Física. Atas do EIEM 2023 – Encontro em Investigação em Educação Matemática. Aveiro: SPIEM, 2023.
Werneburg, I., Y. Pommery, M. Ruciński, B. Kästle, GJ Cohen, N. Natchev, O. Mateus, and GD Ferreira Functional morphology of the skull of Henodus chelyops (Placodontia). International Congress of Vertebrate Morphology Cairns - QLD - Australia 28 July - 1 August 2023. The Anatomical Record., 2023. Abstractwerneburg_et_al_2023_henodus_icvm_2023_abstracts_updated_8_14-1693344432.pdf

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Botelho, M. C., T. Coelho, and H. Rocha How the use of different technologies mobilises different domains of professional knowledge. Cerme 13. Budapest, Hungary, 2023.
Conti, Simone, Pierangelo Masarati, Emanuel Tschopp, Andrea Zanoni, Octavio Mateus, and Giuseppe Sala. "How to simulate soft tissues in extinct animals. Using sauropod dinosaurs as a case study." ECCOMAS Thematic Conference on Multibody Dynamics. 2023. Abstractconti_et_al_2023_id_218_424_eccomas_mbd_2023_congresso_lisbona.pdf

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Tavares, S., C. P. Brás, A. L. Custódio, V. Duarte, and P. Medeiros. "Parallel strategies for Direct Multisearch." Numerical Algorithms. 92 (2023): 1757-1788.
Raimundo, R., A. Coelho, R. Martins, and I. Catarino. "Power generation by unhealthy photovoltaic modules." CIGRE Science and Engineering . 28 (2023).
Crespo, Vicente D., Cristina Sequero López, Maria Rios, Darío Estraviz López, Arturo Gamonal, Roberta Martino, Marc Riccetto, Pedro Callapez, Paulo Legoinha, and Octávio Mateus. "Revisiting the classical small mammal assemblage from the Eocene site of Silveirinha: a fresh look at old collections." XI Congresso Nacional de Geologia: Geociências e Desafios globaisAt: Universidade de CoimbraVolume: Livro de Resumos, págs 85-86. Coimbra 2023. Abstractcrespov_etal_xicng2023_silveirinha.pdf

O sítio de Silveirinha é uma das localidades de mamíferos mais conhecidas da Paleontologia do Cenozoico de Portugal e da Europa em geral. Graças à sua rica e diversificada associação de mamíferos, com mais de 30 taxa, foi posicionado no Eocénico inferior (início do Ypresiano, MP7, ca. 55,8 M.a.), sendo o local mais antigo da Europa desta Época, devido à presença única de taxa típicos do Paleocénico superior, juntamente com outras espécies já características do Eocénico inferior. Este estudo irá rever o material de pequenos mamíferos deste sítio, conservado na coleção clássica da Universidade Nova de Lisboa, a fim de fazer uma actualização taxonómica à luz das publicações mais recentes.

Conti, Simone, Giuseppe Sala, and Octavio Mateus. "Smart Biomechanical Adaptation Revealed by the Structure of Ostrich Limb Bones." Biomimetics. 8.1 (2023). Abstractbiomimetics-08-00098.pdfWebsite

Ostriches are known to be the fastest bipedal animal alive; to accomplish such an achievement, their anatomy evolved to sustain the stresses imposed by running at such velocities. Ostriches represent an excellent case study due to the fact that their locomotor kinematics have been extensively studied for their running capabilities. The shape and structure of ostrich bones are also known to be optimized to sustain the stresses imposed by the body mass and accelerations to which the bones are subjected during movements. This study focuses on the limb bones, investigating the structure of the bones as well as the material properties, and how both the structure and material evolved to maximise the performance while minimising the stresses applied to the bones themselves. The femoral shaft is hollowed and it presents an imbricate structure of fused bone ridges connected to the walls of the marrow cavity, while the tibial shaft is subdivided into regions having different mechanical characteristics. These adaptations indicate the optimization of both the structure and the material to bear the stresses. The regionalization of the material highlighted by the mechanical tests represents the capability of the bone to adapt to external stimuli during the life of an individual, optimizing not only the structure of the bone but the material itself.

Carvalho, Fernanda, Maria Margarida R. .A. . Lima, Elissavet Kavoulaki, Nuno Leal, Joaquim Simão, CARLOS GALHANO, Hugo Águas, Giuseppina Padeletti, and João Pedro Veiga. "Decay products of historical cements from the Palace of Knossos, Crete, Greece." Journal of Cultural Heritage. 64 (2023): 113-119. AbstractWebsite

The Palace of Knossos, located on the island of Crete, Greece, is one of Europe's most important archaeological sites, serving as a testament to the Minoan civilization. Situated near the Mediterranean Sea, it is in close proximity to the seaport, airport, and industrial areas. Decay products commonly found in historical monuments within or near urban areas, such as black crusts and salt efflorescence, are also prevalent at the Palace of Knossos. To better understand the characteristics of the type of deterioration compounds found on cement in historical reconstruction zones, as well as their possible relationship with factors influencing the deterioration process, a multi-analytical approach was designed for the study of these materials. The results indicate that the black crusts primarily consist of gypsum and carbonaceous matter. However, the efflorescence salts are predominantly composed of thenardite instead of halite, despite the palace's proximity to the coastal area. These results may contribute to ongoing and future maintenance and preservation efforts for the monument.

Rodrigues, Alexandra P., Pedro M. P. Santos, João Pedro Veiga, Maria Helena Casimiro, and Luís M. Ferreira. "Electron Beam Irradiation on the Production of a Si- and Zr-Based Hybrid Material: A Study by FTIR and WDXRF." Materials. 16 (2023). AbstractWebsite

Sol-gel production of hybrid materials has, to some extent, revolutionised materials’ engineering and the way science and technology perceive the creation of new materials. Despite that, the method presents some limitations that are circumvented by radiation processing. Electron beam irradiation was used to promote synthesis of hybrid structures while using silanol-terminated PDMS, TEOS and TPOZ as precursors. Evaluation of the method’s performance was executed by gel fraction determination, WDXRF and FTIR-ATR. Results showed that, although there is some pre-irradiation reactivity between precursors, radiolysis induces scission on multiple sites of precursor’s structures, which induces hybrid network formation to a greater extent. Characterisation allowed determining electron beam irradiation to be effective in the creation of Si–O–Zr bonds, resulting in the production of a Class II hybrid material.

Dias, Ana Margarida Gonçalves Carvalho, Inês Pimentel Moreira, Iana Lychko, Cátia Lopes Soares, Arianna Nurrito, Arménio Jorge Moura Barbosa, Viviane Lutz-Bueno, Raffaele Mezzenga, Ana Luísa Carvalho, Ana Sofia Pina, and Ana Cecília Afonso Roque. "Hierarchical self-assembly of a reflectin-derived peptide." Frontiers in Chemistry. 11 (2023). AbstractWebsite

Reflectins are a family of intrinsically disordered proteins involved in cephalopod camouflage, making them an interesting source for bioinspired optical materials. Understanding reflectin assembly into higher-order structures by standard biophysical methods enables the rational design of new materials, but it is difficult due to their low solubility. To address this challenge, we aim to understand the molecular self-assembly mechanism of reflectin’s basic unit—the protopeptide sequence YMDMSGYQ—as a means to understand reflectin’s assembly phenomena. Protopeptide self-assembly was triggered by different environmental cues, yielding supramolecular hydrogels, and characterized by experimental and theoretical methods. Protopeptide films were also prepared to assess optical properties. Our results support the hypothesis for the protopeptide aggregation model at an atomistic level, led by hydrophilic and hydrophobic interactions mediated by tyrosine residues. Protopeptide-derived films were optically active, presenting diffuse reflectance in the visible region of the light spectrum. Hence, these results contribute to a better understanding of the protopeptide structural assembly, crucial for the design of peptide- and reflectin-based functional materials.

Rotatori, FM, A. A. Chiarenza, M. Moreno-Azanza, and O. Mateus Rise of a dinasty: macroevolutionary and biogeographic patterns of iguanodontian dinosaurs across the Jurassic–Cretaceous transition. EAVP Annual Conference of the European Association of Vertebrate Palaeontologists. Palaeovertebrata, Special Volume 1-23. DOI: 10.18563/pv.eavp2023, 2023. Abstract
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Ramos, António Pinho, Brisid Isufi, Rui Marreiros, Dario Coronelli, Teresa Netti, Marco Lamperti Tornaghi, Georgios Tsionis, and Aurelio Muttoni. "Seismic Performance of Strengthened Slab-Column Connections in a Full-Scale Test." Journal of Earthquake Engineering. 27 (2023): 2299-2318. AbstractWebsite
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Nóbrega, Cláudia S., Ana Luísa Carvalho, Maria João Romão, and Sofia R. Pauleta. "Structural Characterization of Neisseria gonorrhoeae Bacterial Peroxidase—Insights into the Catalytic Cycle of Bacterial Peroxidases." International Journal of Molecular Sciences. 24 (2023). AbstractWebsite

Neisseria gonorrhoeae is an obligate human pathogenic bacterium responsible for gonorrhea, a sexually transmitted disease. The bacterial peroxidase, an enzyme present in the periplasm of this bacterium, detoxifies the cells against hydrogen peroxide and constitutes one of the primary defenses against exogenous and endogenous oxidative stress in this organism. The 38 kDa heterologously produced bacterial peroxidase was crystallized in the mixed-valence state, the active state, at pH 6.0, and the crystals were soaked with azide, producing the first azide-inhibited structure of this family of enzymes. The enzyme binds exogenous ligands such as cyanide and azide, which also inhibit the catalytic activity by coordinating the P heme iron, the active site, and competing with its substrate, hydrogen peroxide. The inhibition constants were estimated to be 0.4 ± 0.1 µM and 41 ± 5 mM for cyanide and azide, respectively. Imidazole also binds and inhibits the enzyme in a more complex mechanism by binding to P and E hemes, which changes the reduction potential of the latest heme. Based on the structures now reported, the catalytic cycle of bacterial peroxidases is revisited. The inhibition studies and the crystal structure of the inhibited enzyme comprise the first platform to search and develop inhibitors that target this enzyme as a possible new strategy against N. gonorrhoeae.

Duarte, Marlene, Victor D. Alves, Márcia Correia, Catarina Caseiro, Luís M. A. Ferreira, Maria João Romão, Ana Luísa Carvalho, Shabir Najmudin, Edward A. Bayer, Carlos M. G. A. Fontes, and Pedro Bule. "Structure-function studies can improve binding affinity of cohesin-dockerin interactions for multi-protein assemblies." International Journal of Biological Macromolecules. 224 (2023): 55-67. AbstractWebsite

The cellulosome is an elaborate multi-enzyme structure secreted by many anaerobic microorganisms for the efficient degradation of lignocellulosic substrates. It is composed of multiple catalytic and non-catalytic components that are assembled through high-affinity protein-protein interactions between the enzyme-borne dockerin (Doc) modules and the repeated cohesin (Coh) modules present in primary scaffoldins. In some cellulosomes, primary scaffoldins can interact with adaptor and cell-anchoring scaffoldins to create structures of increasing complexity. The cellulosomal system of the ruminal bacterium, Ruminococcus flavefaciens, is one of the most intricate described to date. An unprecedent number of different Doc specificities results in an elaborate architecture, assembled exclusively through single-binding-mode type-III Coh-Doc interactions. However, a set of type-III Docs exhibits certain features associated with the classic dual-binding mode Coh-Doc interaction. Here, the structure of the adaptor scaffoldin-borne ScaH Doc in complex with the Coh from anchoring scaffoldin ScaE is described. This complex, unlike previously described type-III interactions in R. flavefaciens, was found to interact in a dual-binding mode. The key residues determining Coh recognition were also identified. This information was used to perform structure-informed protein engineering to change the electrostatic profile of the binding surface and to improve the affinity between the two modules. The results show that the nature of the residues in the ligand-binding surface plays a major role in Coh recognition and that Coh-Doc affinity can be manipulated through rational design, a key feature for the creation of designer cellulosomes or other affinity-based technologies using tailored Coh-Doc interactions.

Coelho, João, Ricardo F. Correia, Sara Silvestre, Tomás Pinheiro, Ana C. Marques, Rosário M. P. Correia, Joana Vaz Pinto, Elvira Fortunato, and Rodrigo Martins. "{Paper-based laser-induced graphene for sustainable and flexible microsupercapacitor applications}." Microchimica Acta. 190 (2023): 1-10. Abstract

Laser-induced graphene (LIG) is as a promising material for flexible microsupercapacitors (MSCs) due to its simple and cost-effective processing. However, LIG-MSC research and production has been centered on non-sustainable polymeric substrates, such as polyimide. In this work, it is presented a cost-effective, reproducible, and robust approach for the preparation of LIG structures via a one-step laser direct writing on chromatography paper. The developed strategy relies on soaking the paper in a 0.1 M sodium tetraborate solution (borax) prior to the laser processing. Borax acts as a fire-retardant agent, thus allowing the laser processing of sensitive substrates that other way would be easily destroyed under the high-energy beam. LIG on paper exhibiting low sheet resistance (30 $Ømega$ sq−1) and improved electrode/electrolyte interface was obtained by the proposed method. When used as microsupercapacitor electrodes, this laser-induced graphene resulted in specific capacitances of 4.6 mF cm−2 (0.015 mA cm−2). Furthermore, the devices exhibit excellent cycling stability (> 10,000 cycles at 0.5 mA cm−2) and good mechanical properties. By connecting the devices in series and parallel, it was also possible to control the voltage and energy delivered by the system. Thus, paper-based LIG-MSC can be used as energy storage devices for flexible, low-cost, and portable electronics. Additionally, due to their flexible design and architecture, they can be easily adapted to other circuits and applications with different power requirements. Graphical Abstract: [Figure not available: see fulltext.]

2022
Correia, Ricardo, Jonas Deuermeier, Maria Rosário Correia, Joana {Vaz Pinto}, João Coelho, Elvira Fortunato, and Rodrigo Martins. "{Biocompatible Parylene-C Laser-Induced Graphene Electrodes for Microsupercapacitor Applications}." ACS Applied Materials {&} Interfaces. 14 (2022): 46427-46438. AbstractWebsite
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Caeiro, Frederico, L{\'ı}gia Henriques-Rodrigues, and Ivette M. Gomes. "The Use of Generalized Means in the Estimation of the Weibull Tail Coefficient." Computational and Mathematical Methods. 2022 (2022): 1-12. AbstractWebsite
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Firmino, Rita, Emanuel Carlos, Joana Vaz Pinto, Jonas Deuermeier, Rodrigo Martins, Elvira Fortunato, Pedro Barquinha, and Rita Branquinho. "{Solution Combustion Synthesis of Hafnium-Doped Indium Oxide Thin Films for Transparent Conductors}." Nanomaterials. 12 (2022): 2167. AbstractWebsite

{\textless}p{\textgreater}Indium oxide (In2O3)-based transparent conducting oxides (TCOs) have been widely used and studied for a variety of applications, such as optoelectronic devices. However, some of the more promising dopants (zirconium, hafnium, and tantalum) for this oxide have not received much attention, as studies have mainly focused on tin and zinc, and even fewer have been explored by solution processes. This work focuses on developing solution-combustion-processed hafnium (Hf)-doped In2O3 thin films and evaluating different annealing parameters on TCO's properties using a low environmental impact solvent. Optimized TCOs were achieved for 0.5 M{%} Hf-doped In2O3 when produced at 400 °C, showing high transparency in the visible range of the spectrum, a bulk resistivity of 5.73 × 10−2 $Ømega$.cm, a mobility of 6.65 cm2/V.s, and a carrier concentration of 1.72 × 1019 cm−3. Then, these results were improved by using rapid thermal annealing (RTA) for 10 min at 600 °C, reaching a bulk resistivity of 3.95 × 10 −3 $Ømega$.cm, a mobility of 21 cm2/V.s, and a carrier concentration of 7.98 × 1019 cm−3, in air. The present work brings solution-based TCOs a step closer to low-cost optoelectronic applications.{\textless}/p{\textgreater}

Mateus, Ayana, and Frederico Caeiro. "Improved Shape Parameter Estimation for the Three-Parameter Log-Logistic Distribution." Computational and Mathematical Methods. 2022 (2022): 1-13. AbstractWebsite
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Fonseca, Amândio, Corneliu Cismasiu, and Ildi Cismasiu. "Avaliação da vulnerabilidade sísmica de um edifício pombalino através de análise dinâmica incremental." Jornadas Portuguesas de Engenharia de Estruturas (JPEE). Lisboa: LNEC, APEE, GPBE, SPES, 2022. art_jpee2022_266_afccic_v8.pdf
Amaro, P., A. Adamczak, Abdou M. Ahmed, L. Affolter, F. D. Amaro, P. Carvalho, T. L. Chen, L. M. P. Fernandes, M. Ferro, D. Goeldi, T. Graf, M. Guerra, T. W. Hänsch, C. A. O. Henriques, Y. C. Huang, P. Indelicato, O. Kara, K. Kirch, A. Knecht, F. Kottmann, Y. W. Liu, J. Machado, M. Marszalek, R. D. P. Mano, C. M. B. Monteiro, F. Nez, J. Nuber, A. Ouf, N. Paul, R. Pohl, E. Rapisarda, J. M. F. dos Santos, J. P. Santos, P. A. O. C. Silva, L. Sinkunaite, J. T. Shy, K. Schuhmann, S. Rajamohanan, A. Soter, L. Sustelo, D. Taqqu, L. B. Wang, F. Wauters, P. Yzombard, M. Zeyen, and A. Antognini. "Laser excitation of the 1s-hyperfine transition in muonic hydrogen." SciPost Physics. 13 (2022). Abstract

The CREMA collaboration is pursuing a measurement of the ground-state hyperfine splitting (HFS) in muonic hydrogen (μp) with 1 ppm accuracy by means of pulsed laser spectroscopy to determine the two-photon-exchange contribution with 2×10-4 relative accuracy. In the proposed experiment, the μp atom undergoes a laser excitation from the singlet hyperfine state to the triplet hyperfine state, then is quenched back to the singlet state by an inelastic collision with a H2 molecule. The resulting increase of kinetic energy after the collisional deexcitation is used as a signature of a successful laser transition between hyperfine states. In this paper, we calculate the combined probability that a μp atom initially in the singlet hyperfine state undergoes a laser excitation to the triplet state followed by a collisional-induced deexcitation back to the singlet state. This combined probability has been computed using the optical Bloch equations including the inelastic and elastic collisions. Omitting the decoherence effects caused by the laser bandwidth and collisions would overestimate the transition probability by more than a factor of two in the experimental conditions. Moreover, we also account for Doppler effects and provide the matrix element, the saturation fluence, the elastic and inelastic collision rates for the singlet and triplet states, and the resonance linewidth. This calculation thus quantifies one of the key unknowns of the HFS experiment, leading to a precise definition of the requirements for the laser system and to an optimization of the hydrogen gas target where μp is formed and the laser spectroscopy will occur.

Gomes, G. J., V. J. G. Lúcio, and C. Cismasiu. "Development of a high-performance blast energy-absorbing system for building structures." AuxDefense2022 - 3rd World Conference on Advanced Materials for Defense. Guimarães, Portugal 2022.
Rebelo, Hugo, and Corneliu Cismasiu. "Análise Comparativa entre Modelos Constitutivos para a Simulação de Elementos Estruturais de Betão Armado sujeitos a Cargas de Explosão." PROTEDES2022. Região Sul da Ordem dos Engenheiros, Lisboa 2022.
Oliveira, Tiago, Pedro Matias, and Corneliu Cismasiu. "Comportamento de painéis de vidro laminado à ação de explosões - Geração de curvas Pressão-Impulso." PROTEDES2022. Região Sul da Ordem dos Engenheiros, Lisboa 2022.