Book of Abstracts Vfinal.Pdf

RADIATION FOR SCIENCE

AND SOCIETY 2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

Contents

TECHNICAL RECORD ...... 4 PREFACE ...... 5 PROGRAMME ...... 6 ORAL PRESENTATIONS ...... 7 I1 | Quantum Effects In Transport Properties Of Topological Insulators ...... 8 I2 | Exemplos De Boas Práticas Em Matéria De Transferência De Conhecimento E Divulgação Científica No MNA: O “Dia Do Investigador Do MNA” E A Acção Do Laboratório De Conservação E Restauro ...... 9 I3 | Voxel-Based Dosimetry For Patient-Specific Liver Radioembolization ...... 10 I4 | Advanced Magnetic Nanostructures For Imaging And Theranostic Applications ...... 11 O1.1 | Radiation Processing For Advanced Macromolecular Materials At C2TN ...... 12 O1.2 | Thermoelectric Materials For Sustainable Development ...... 14 O2.1 | Is The Air That We Breathe During Sleep Affecting Our Sleep Quality? ...... 15 O2.2 | Technological Characterisation And Absolute Dating Of Metallurgical Innovations In Ancient Symbols Of Status ...... 17 O3.1 | Development Of TEM1/Endosialin Targeted Radioimmunoconjugates For Cancer Theranostics ...... 19 O3.2 | Medical Nanodosimetry And Molecular Radiotherapy (MRT): Towards Personalized And Precision Medicine ...... 21 O4.1 | Groundwater Risks Associated To The Military Activities At Santa Margarida Military Camp, Based On Environmental Isotopes, Chemical And Enteric Virus Evaluation ...... 23 O4.2 | Mössbauer Spectroscopy An Invaluable Technique In Materials Science ...... 25 O4.3 | In-silico Contribution To The Design Of Innovative Molecular Imaging Probes And Theranostic Agents ...... 27 POSTER PRESENTATIONS ...... 28 P01 | C2TN Task Force On Proton Therapy And Research ...... 31 P02 | Targeting The Transporters Of Cationic Amino Acids For Cancer Radiotheranostics: Experimental And Computational Chemistry Approach ...... 32 P03 | Membrane Proteins - Development Of New Computational Approaches And Its Application To G-Protein Coupled Receptors ...... 33 P04 | Novel Molecular Imaging Tools For Cystic Fibrosis ...... 34 P05 | Multifunctional Nanoseeds For Chemoradiotherapy Of Glioblastoma ...... 35 P06 | Radiopharmaceutical Sciences Group ...... 37 P07 | Metrology In Health And Industry ...... 39 P08 | Environmental Radioactivity And Radioecology ...... 41 P09.1 | Dosimetry Of The Medical Applications Of Ionizing Radiation ...... 43

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

P09.2 | Biological Effects Of Radiation ...... 45 P10 | Emergency Preparedness And Response In Case Of A Nuclear Or Radiological Accident In Europe ...... 47 P11 | Radioactive Waste: Research, Education And Training, Public Perception And Societal Acceptance ...... 48 P12 | Uses Of A Nuclear Microprobe Setup (Cultural Heritage Meets Functional Materials) ...... 50 P13 | Production And Use Of Metal In SW Iberian Peninsula From The Chalcolithic To The Roman Empire ...... 52 P14 | Applications Of Ionizing Radiation: Why And What For? ...... 54 P15 | Climatic Changes: Isotopic Fingerprints In Aquifers And Marine Mollusk Shells ...... 56 P16 | Polymeric Materials Obtained By -Radiation For Skin Scaffolds And For Roman Mosaic Preservation ...... 58 P17 | Development Of Tools To Tackle Air Pollution, Climate Change And Burden Of Disease In Urban Systems ...... 60 P18 | Radioactive Local Probe Techniques At The ISOLDE CTN Experimental Infrastructure, 2018 Achievements ...... 62 P19 | Superheated Liquid Detectors For Science And Society...... 64 P20 | Geochemistry Of Surficial Environments Of Oceanic Volcanic Islands In Arid And Semi-Arid Climates – A Contribution To Regional Development Planning ...... 65 P21 | Nuclear And Radiation-Based Methods As Tools To Cultural Heritage Safeguard ...... 67 P22 | Rare Earth Recovery And Valorisation / Protection Of Environment ...... 69

P23 | Catalysis (Nano Structures For CO2 Removal And Fuels Production) ...... 70 P24 | Non-Aqueous Uranium Coordination Chemistry: Uranium Complexes Supported By Hydrobis(mercaptoimidazolyl)borates ...... 71 P25 | Gas-Phase f-Element Chemistry Studies ...... 72 P26 | Ln-Based Compounds: From Magnetism To Optical Sensing ...... 73 P27 | Neutrability: Soluble Neutral Materials For Molecular Electronics ...... 75 P28 | Thermoelectric Materials For Energy ...... 76 P29 | Slow Relaxation Of Magnetization In Molecular Materials ...... 77

P30 | Self Assembled Bilayer Molecular Metals (CNB-EDT-TTF)4X; Polymorphism And Superconductivity ...... 79 P31 | The Importance Of Cation-Anion Interaction In The Spin Crossover Phenomenon:

Structural And Magnetic Correlations In [Fe(nsal2trien)] Salts ...... 81 P32 | Outreach Group Of C2TN: Sharing Science With Society ...... 83

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

TECHNICAL RECORD

TITLE: 2nd Workshop C2TN: Radiation for Science and Society – Book Of Abstracts EDITORS: Dulce Belo, Ana Catarina Antunes, Marta Ferraz Dias, Rita Melo, Ana Belchior, Rosa Marques, Maria Helena Casimiro and Pedro Valério PUBLISHER: C2TN, Instituto Superior Técnico, Universidade de Lisboa DATE: 11th December 2018

Address: C2TN - Centro de Ciências e Tecnologias Nucleares Campus Tecnológico e Nuclear INSTITUTO SUPERIOR TÉCNICO, UNIVERSIDADE DE LISBOA Estrada Nacional 10, Km 139.7 2695-066 Bobadela LRS, Portugal © 2018 by Instituto Superior Técnico of Universidade de Lisboa

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

PREFACE

06 December 2018 Dear Participant, Dear Colleague, Welcome to the 2nd Workshop of C2TN! The research activities of the C2TN address leading edge, pluridisciplinary and cross-cutting scientific topics and issues related to the use of Nuclear Sciences and Technologies and of Ionizing Radiation in multiple sectors, such as Health, Environment, Industry, Energy, Materials Sciences and Cultural Heritage, among others. During 2018, the C2TN pursued its strategic objectives encompassing the consolidation of the internationalization of its activities and the strengthening of its international and national recognition as a pluridisciplinary research centre of excellence. The first weeks of the year were devoted to the preparation of C2TN’s Strategic Programme for the period 2019-2022 that was submitted for funding by the FCT at the beginning of February. The evaluation of the Centre by an international panel of experts will take place during the coming weeks. Throughout the year, sizable efforts were also devoted to: - The successful solution of the Centre’s Human Resources, converting the precarious contractual links of some of the C2TN younger scientists into research contracts, under the newly approved legislation; - The involvement and empowerment of junior researchers as leaders of research activities; - The submission of research projects to national and international funding programmes, including Horizon 2020 – researchers from C2TN participated, inter alia, in several consortia that submitted projects on the Horizon 2020 EURATOM Call, by September 2018, and in a Twinning proposal; - An acceleration project of outreach and dissemination was launched, promoting the activities of the Centre and projecting its image, nationally and internationally, with efficiency and intensity; - The assessment of the societal impact of the C2TN’s activities; - The organization of several Conferences, Workshops and Training Courses. By mid-2018, the evaluation of the research projects submitted in 2017 to the FCT was finally disclosed and turned out to be globally very positive for the Centre. More than 10 projects led by C2TN researchers were approved for funding and researchers also participated in several tens of projects led by other institutions and approved for funding. This Workshop, involved a considerable number of C2TN members and a huge effort in preparing and setting up its Programme. It aims at summarizing the activities in which the Centre is involved and at assessing prospectively new research areas and topics where C2TN’s competences, skills, equipment and infrastructures can be deployed. Special thanks are due to the members of the Organizing Committee of the Workshop, Dulce Belo (Coordinator), Ana Catarina Antunes, Marta Ferraz Dias, Rita Melo, Ana Belchior, Rosa Marques, Maria Helena Casimiro and Pedro Valério for their efforts to make of this initiative a great success. Enjoy the Workshop!

Pedro Vaz (President of the Executive Commission of C2TN)

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

PROGRAMME

Time Content Speaker Welcome 9:30 – 9:45 Opening Session Dulce Belo C2TN 2018 in a snapshot Pedro Vaz C2TN: Radiation for Science and Society vis a vis the UN’ SDG Advanced Materials Session chair: Manuel Leite de Almeida I1. Quantum Effects in Transport Properties of José António Paixão 09:45 – 10:05 Topological Insulators Universidade de Coimbra O1.1 Radiation Processing for Advanced Macromolecular 10:05 – 10:20 Maria Helena Casimiro Materials at C2TN O1.2 Thermoelectric materials for sustainable 10:20 – 10:35 António P. Gonçalves development 10:35 – 11:00 Coffee Break & Poster Session Earth Sciences, radioactivity and Cultural Heritage Session chair: M. Isabel Prudêncio I2. Exemplos de boas práticas em matéria de transferência de conhecimento e divulgação científica António Carvalho 11:00 – 11:20 no MNA: o “Dia do Investigador do MNA” e a acção do Museu Nacional de Arqueologia Laboratório de Conservação e Restauro O2.1 Is the air that we breathe during sleep affecting 11:20 – 11:35 Nuno Canha our sleep quality? O2.2 Technological characterisation and absolute dating 11:35 – 11:50 Pedro Valério of metallurgical innovations in ancient symbols of status Radiopharmaceutical Sciences and Health Physics Session chair: António Rocha Paulo I3. Voxel-Based Dosimetry for Patient-Specific Liver Paulo Ferreira 11:50 – 12:10 Radioembolization Fundação Champalimaud O3.1. Development of TEM1/Endosialin Targeted 12:10 – 12:25 Alice D’Onofrio Radioimmunoconjugates for Cancer Theranostics O3.2 Medical Nanodosimetry and Molecular 12:25 – 12:40 Radiotherapy (MRT): Towards Personalized and Precision Ana Belchior Medicine 12:40 – 12:55 C2TN Family photo 12:55 – 14:15 Lunch Powered by C2TN C2TN’s leading edge research activities Ongoing activities Session chair: Fernanda Margaça Manuel Bañobre-López I4. Advanced Magnetic Nanostructures for Imaging and 14:15 – 14:35 Laboratório Ibérico Internacional Theranostic Applications de Nanotecnologia O4.1 Groundwater risks associated to the military activities at Santa Margarida Military Camp, based on 14:35 – 14:50 Paula Carreira environmental isotopes, chemical and enteric virus evaluation O4.2 Mössbauer spectroscopy an invaluable technique in 14:50 – 15:05 João C. Waerenborgh materials science O4.3. In-silico contribution to the design of innovative 15:05 – 15:20 João D. G. Correia molecular Imaging probes and theranostic agents 15:20 – 15:45 Coffee Break & Poster Session Prospective views Panel Moderator: Pedro Vaz 5 min presentations on the following topics: - Biological effects of radiation (Sebastião Rodrigues, Nova Medica School, Universidade Nova de Lisboa) - Protons and ion therapy (Marta F. Dias) 15:45 – 16:45 - Defence and Security (Pedro Vaz) - Microbioma (Sandra Cabo Verde) - Multifunctional Materials (Manuel Leite de Almeida)

Followed by open discussion (30 min) 16:45 – 17:00 Closing Remarks

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

ORAL PRESENTATIONS

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

I1 | Quantum Effects In Transport Properties Of Topological Insulators

José António Paixão1,*, Marta Henriques1, Carlotta Micale2, Elsa Branco Lopes2, António Pereira Gonçalves2

1CFisUc, Department of Physics, University of Coimbra, Rua Larga, Portugal 2CTN, DECN, Instituto Superior Técnico, University of Lisbon, Estrada Nacional 10, 2695-066 Bobadela LRS, Portugal *Email of corresponding author: [email protected]

Topological insulators are materials with a peculiar electronic band structure, featuring a gap for bulk electronic states, but with spin-momentum locked surface states that are symmetry protected from scattering processes not breaking time-reversal symmetry, thus allowing electric conduction. The study of such states was originally inspired by the robustness to scattering of conducting edge states in quantum Hall systems. Bismuth chalcogenides are one of the few materials in this class, that have been extensively studied as they also perform well as thermoelectric materials. The peculiar electronic structure of such materials shows up in quantum effects observed in the transport properties measured at low temperature, such as a strong weak-antilocalisation (WAL) effect in the longitudinal magnetoresistance or Shubnikov-de Hass (SdH) oscillations. In this talk a brief introduction to topological insulators and quantum effects in the transport properties in these systems will be presented. The synthesis, characterization and measurements of the electronic transport properties will be presented and discussed for single-crystals and nanostructured materials of families

Bi2Se(3-x)Tex and BiSbTe3.

Figure1. Magnetoresistance in Bi2Se3 showing WAL and SdH oscillations at low temperature.

Funding: This work was supported by funds from FEDER (COMPETE) and from FCT under the projects UID/FIS/04564/2016, UID/MULTI/ 04349/2013, and PTDC/FIS-NAN/6099/2014

Keywords: Topological Insulators, Bi2Se3, Weak Antilocalisation, Shubnikov–de Haas effect

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

I2 | Exemplos De Boas Práticas Em Matéria De Transferência De Conhecimento E Divulgação Científica No MNA: O “Dia Do Investigador Do MNA” E A Acção Do Laboratório De Conservação E Restauro

António Carvalho1,2,*

1Museu Nacional de Arqueologia, Praça do Império, 1400-206 – Lisboa 2UNIARQ – Centro de Arqueologia da Universidade de Lisboa, Alameda da Universidade, 1600-214 – Lisboa *Email of corresponding author: [email protected], [email protected]

O autor apresenta os pressupostos de um projecto pioneiro, iniciado em 2013 no Museu Nacional de Arqueologia (MNA), em matéria de partilha e transmissão de conhecimento e divulgação científica nos Museus Nacionais que se encontram no âmbito da Direcção-Geral do Património Cultural e os principais resultados após 6 edições anuais. O Dia do Investigador do MNA é uma reunião científica que coloca os investigadores e a sua produção no centro da reflexão, de forma exclusiva, durante um dia. Até ao presente, traduziu-se no envolvimento de quase duas centenas de investigadores de Institutos Politécnicos e Universidades, portuguesas e estrangeiras, mas também de museus, laboratórios, autarquias e outros organismos. A iniciativa que se apresenta só é possível realizar a partir de um contínuo processo de recenseamento científico e do desejável diálogo entre os investigadores, a equipa do Museu, a comunidade científica e o público, sendo portanto uma iniciativa aberta e colaborativa no plano institucional, científico e pessoal. Com esta iniciativa mede-se também o “músculo científico” do Museu, enquanto plataforma de produção de conhecimento, e o impacto na comunidade científica, mas não só, das investigações ali produzidas. Foi desenhada em função de alguns pressupostos evidentes, mas que importava articular. As vastas colecções arqueológicas, provenientes de todo o país e que se conservam no Museu, a presença constante de investigadores há várias décadas, os recorrentes pedidos para se voltar a “olhar” para “antigas” colecções no quadro da produção de novas pesquisas para a realização de dissertações e projectos de investigação. Fazendo-se também a ciência da acumulação de dados, o Museu, que guarda os bens culturais, pretende garantir que o trajecto das investigações e os resultados são apresentados no âmbito da programação cultural e científica do Museu, de modo a garantir uma permanente monitorização e um conhecimento cabal dos avanços científicos o que lhe permite, também, de alguma maneira, incentivar e direccionar a investigação. Explica-se como esta reunião científica visa congregar e aproximar a comunidade de investigadores do MNA promovendo a partilha de informação entre pares e a equipa do Museu e, simultaneamente, a divulgação científica dos diferentes temas junto do público. A acção do Laboratório de Conservação e Restauro e as respectivas parcerias serão enunciadas.

Acknowledgments: Agradece-se à equipa do Museu Nacional de Arqueologia, nomeadamente ao Sector de Inventário e de Colecções e aos investigadores que, sem excepção, respondem sempre favoravelmente aos convites da Direcção para participar nas sessões.

Keywords: Arqueologia, Museu Nacional de Arqueologia, Dia do Investigador, Laboratório de Conservação e Restauro, Transmissão de Conhecimento

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

I3 | Voxel-Based Dosimetry For Patient-Specific Liver Radioembolization

Paulo Ferreira1,2,*, Francisco Oliveira1, Rui Parafita1, Paulo L. Correia2, Pedro S. Girão2, Durval C. Costa1

1Nuclear Medicine-Radiopharmacology, Champalimaud Centre for the Unknown, Champalimaud Foundation, Lisbon 2Instituto de Telecomunicações, Instituto Superior Técnico - Universidade de Lisboa *Email of corresponding author: [email protected]

Radioembolization (RE) has emerged as a therapeutic approach to tumors in the liver. Glass or resin microspheres (MS) loaded with Yttrium-90 (90Y) have been the preferred choice. Soon other options may be available. Following the European Council Directive 2013/59/EURATOM, the assessment of the absorbed dose in the planning tumor volume (PTV) and in the normal liver volume (NLV) is the most important problem to address in all medical exposures during radiotherapeutic applications (e.g., RE). In clinical practice, the calculation of the 90Y radiation activity to be administered to the liver follows the MIRD model. This does not consider the specific characteristics of each patient’s physiology and pathology influencing deposition of MS in the liver. Thus, our research group at the Champalimaud Centre for the Unknown has tried to overcome this limitation developing a methodology for personalized estimation of the 3D dose distribution and optimize the activity to be administered into the patient's liver. We selected retrospectively sixteen RE treatments. Technetium-99m (99mTc) labelled macroaggregated albumin (MAA) pre-treatment single-photon emission computed tomography (SPECT), and 90Y-charged glass MS post-treatment positron emission tomography (PET) images were available. 3D dose distributions were estimated to investigate the predictive power of SPECT-MAA when compared with PET-MS. In addition, a computational algorithm based on the -index agreement test between the SPECT-MAA and PET-MS dose distributions was developed and tested. A computational algorithm, based on an optimization of the 90Y activity was additionally introduced using dose thresholds imposed on PTV and NLV voxels. All this work resulted into a “computational dosimetric system”, which demonstrates that, under well controlled conditions, the pre-treatment SPECT-MAA predicts the post-treatment PET-MS distribution. In addition, pre-treatment SPECT-MAA can be used to optimize the 90Y activity. This “system” proved to be feasible, enabling personalized liver RE treatment. It will, hopefully, be useful for other radiopharmaceutical therapies, independent of the type of radionuclide emission.

Keywords: radioembolization, albumin macroaggregates, glass microspheres, 3D dose distribution, optimization.

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

I4 | Advanced Magnetic Nanostructures For Imaging And Theranostic Applications

Lorena García-Hevia1, I. Casafont2, M. L. Fanarraga2, Juan Gallo1 and Manuel Bañobre-López1,*

1Advanced (magnetic) Theranostic Nanostructures Lab, Nanomedicine Group, Department of Life Sciences, INL – International Iberian Nanotechnology Laboratory, Av. Mestre José Veiga, 4715-330 Braga, Portugal 2Grupo de Nanomedicina-IDIVAL, Universidad de Cantabria, Herrera Oria s/n, CP 39011 Santander, Spain *Email of corresponding author: [email protected]

In this talk, I will highlight the potential of magnetic nanoparticles (MNPs) in the biomedical field. In particular, I will emphasize the key role of MNPs as building blocks to form more complex nanostructures with enhanced physico-chemical properties for advanced imaging and theranostic applications. In particular, examples of application of different types of advanced magnetic hybrids (organic-inorganic nanoconjugates and nanocomposites) developed by our group will be shown in these areas, covering from the nanostructure design to the preclinical in vitro and in vivo validation. In the last years, these structures have gained increasing interest as they combine the functional properties of the organic part and the intrinsic physico-chemical properties from the magnetic counterpart, enabling biomedical and pharmaceutical technologies, such as magnetic resonance imaging, magnetic hyperthermia and induced-drug delivery, and providing a step forward towards precision and personalized medicine.

Keywords: Cancer; Exposure Biomarkers; Nano- and Microdosimetry; Radiopharmaceuticals; Theranostics

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

O1.1 | Radiation Processing For Advanced Macromolecular Materials At C2TN

Thematic Strands: Advanced Materials Earth Systems, Radioactivity and Cultural Heritage

C2TN members: M. Helena Casimiro1,* (IST-ID contract), Fernanda M.A. Margaça1, António N. Falcão1, Luís C. Alves1, João P. Leal2, Luís M. Ferreira1,* Students: Alexandra P. Rodrigues1 (PhD) *Email of corresponding author: [email protected]; [email protected]

Research groups: 1 REI | Radiation, Elements and Isotopes Group, 2 QEf | f-element Chemistry Group

Over the last years the area of Radiation Processing for Advanced Macromolecular Materials integrated in GREI, gathered a consistent experience in the use of ionizing radiation techniques for the preparation and/or functionalization of polymeric based materials, targeting an increasing number of specific applications in different areas. We have been focused mainly on the development and optimization by gamma irradiation of new functionalized polymeric and hybrid materials, with the commitment to implement green sustainable techniques. Concerning polymeric materials, we may refer the development of: - PE based copolymeric materials, mechanically stable, hydrophilic and biocompatible, that can be used for biomedical and fine-chemistry industrial applications; - chitosan based copolymeric membranes, biocompatible and microbiologically safe, that can be used simultaneously as wound dressing and as support in transdermal drug release systems “ready to use”, combining matrix modification and microbiological safety in one experimental step; - PVA supported crosslinked membranes to be used in biodiesel production (pervaporation membrane reactors) and as catalytic supports for fine-chemistry synthesis (fragrances and food aromas); Research in hybrid materials has been centered on the preparation and functionalization of polydimethylsiloxane (PDMS)-based hybrids for biomedical applications, namely as human bone substitutes.

Figure 1. 3D porous structure of PE-g-HEMA film obtained by -irradiation. Presently we are particularly involved in the i) preparation of biocompatible and biodegradable chitosan based 3D matrices as skin substitutes with improved healing and tissue regeneration/repair capabilities and on ii) the preparation of PDMS-ormosils with biocide content, for conservation of non- metallic inorganic historical materials, such as the Roman mosaics of Conimbriga.

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

The work carried out has been financed by national funds (FCT) and through two Coordinated Research Projects from IAEA and meets the Sustainable Development Goals G.3 and G.11 of 2030 Agenda, namely good health and well-being, and sustainable cities and communities. An overview of the work performed and some relevant data will be presented.

Collaborations: 1 M.H. Gil, FCTUC | Faculdade de Ciências e Tecnologia, Universidade de Coimbra, Coimbra, Portugal 2 J. Vital, A.M. Ramos, M.C. Corvo, FCTUNL | Faculdade de Ciências e Tecnologia, Universidade Nova de Lisboa, Caparica, Portugal 3 G. Rodrigues, FCUL | Faculdade de Ciências, Universidade de Lisboa, Lisbon, Portugal 4 D. Casal, NOVA Medical School | Faculdade de Ciências Médicas, Universidade Nova de Lisboa, Lisbon, Portugal 5 V.H. Correia, MMC-MN | Museu Monográfico de Conimbriga – Museu Nacional, Coimbra, Portugal 6 J. Coroado, IPT | Instituto Politécnico de Tomar, Tomar, Portugal

Funding: FCT - UID/Multi/04349/2013 project; IST-ID/076/2018 contract; PD/BD/114410/2016 grant (in the framework of PhD Course CORES, FCT-UNL) IAEA - Research Contract No. 18202 (CRP F23030); Research Contract No. 18982 (CRP F23032)

Keywords: Ionizing radiation, Polymers, Hybrid materials, Bioapplications, CH conservative materials

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

O1.2 | Thermoelectric Materials For Sustainable Development

Thematic Strand: Advanced Materials

C2TN members: António P. Gonçalves*, Elsa B. Lopes Students: Duarte Moço (PhD), Helena C. M. Ferreira (BSc), Gonçalo Domingos (BSc) *Email of corresponding author: [email protected]

Research group: ES | Solid State Group

Most of the energy produced by Man is lost, mainly as waste heat. Moreover, innumerous natural heat sources exist, which makes the use of such energy highly desirable. In 2015, United Nations set 17 global Sustainable Development Goals, with many of them directly related to this problem. An “Affordable and clean energy” (Goal 7) is needed, that leads to a more “Decent work and economic growth” (Goal 8) based on sustainable “Industry, Innovation, and Infrastructure” (Goal 9) including a more “Responsible consumption and production” (Goal 12) with a positive impact in the climate change (“Climate action”, Goal 13). There are many systems devoted to the recovery of waste heat, in particular in large industrial installations, but their prices and complexity are high, making them suitable only for specific applications. Thermoelectric generators, that directly convert heat into electricity, are able to recover part of such energy. They are simple solid state equipments with no moving parts, easy to implement, silent and reliable. Yet, the cost of the energy produced by these equipments is still excessive due to their low efficiency and high materials and production prices. The work made at C2TN deals with these challenges, developing new thermoelectric devices with high efficiency and low price, based on easily available materials with low toxicity. The more recent studies have been focused on tetrahedrite-based p-type materials, they are copper sulfosalt minerals with good thermoelectric properties after proper dopping. The final objective is to develop cheap thermoelectric modules with high efficiency, which is expected to significantly decrease the electrical energy price produced by this method. The practical application of a prototype in a Portuguese cement factory, and the corresponding viability study of the employment of thermoelectrics on the optimization of energy use and decrease of costs, are the next future goals.

Collaborations: 1 Prof. Edgar C. Fernandes, IN+, Dept. Mech. Engineering, Instituto Superior Técnico, Lisbon, Portugal 2 Prof. Pedro M. Amaral, Dept. Mech. Engineering, Instituto Superior Técnico, Lisbon, Portugal 3 Prof. Francisco Brito, Dept. Mech. Engineering, University of Minho, Guimarães, Portugal 4 Dr. Filipe Neves, Unid. de Energias Renováveis e Int. de Sist. de Energia, LNEG, Lisbon,Portugal 5 Prof. Theodora Kyratsi, Dept of Mech. and Manufacturing Engineering, Univ. of Cyprus, Nicosia, Cyprus 6 Prof. Bertrand Lenoir, Institut Jean Lamour, UMR 7198 CNRS, Université de Lorraine, Nancy, France 7 Prof. Judith Monnier, Institut de Chimie et des Matériaux Paris-Est, Université Paris-Est, Thiais, France

Funding: M-ERA.NET Project, Sustainable Thermoelectric Modules based on Non-toxic Silicides and Sulphides for Recovery of Waste Heat to Power Generation, THERMOSS, 2017-2020; FCT project “ LocalEnergy”, PTDC/EAM- PEC/29905/2017

Keywords: Thermoelectrics, Tetrahedrites, Waste energy, Sustainable development

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

O2.1 | Is The Air That We Breathe During Sleep Affecting Our Sleep Quality?

Thematic Strand: Earth Systems, Radioactivity and Cultural Heritage

C2TN members: Nuno Canha* (IST-ID contract), Joana Lage (IST fellowship), Marta Almeida (IST Contract) Students: Tiago Faria (PhD) *Email of corresponding author: [email protected]

Research group: NET | Nuclear Engineering and Techniques Group

People spend around one third of their life sleeping and it is well known that sleep plays a crucial role in human welfare and performance. However, assessment of indoor air quality (IAQ) during sleep has been scarcely studied (Canha et al., 2017) and, when it is, usually is only focused on a few parameters. Moreover, despite the crucial importance of sleep in the daily human welfare, the assessment of the impact of IAQ on sleep’s quality has not yet been fully studied in order to understand which environmental factors may affect the quality of sleep. The present study aimed to fulfil this gap of knowledge: 1) Characterize IAQ, using a multipollutant approach (comfort parameters, carbon dioxide, carbon monoxide, formaldeyde, microbiological burden (fungi and bacteria), volatile organic compounds and particulate matter), during the sleep period of 10 couples; 2) Assess the sleep quality of 10 couples using polysomnography; and 3) Try to understand which environmental factors may influence sleep quality.

Results show that, during sleep, individuals are exposed to levels of PM2.5, TVOCs, CO2, bacteria and fungi above the limit values established by the Portuguese guideline for IAQ. Despite the size of the studied population, results also showed that there are some evidences that the increase in some parameters of IAQ (CO, CO2, PM2.5 and PM10) and thermal comfort (T and RH) can be associated to alterations in cardiovascular and respiratory function during sleep. Further research should increase the study population to confirm these preliminary results. This study aims to answer to the following sustainable development goals: 1) Good health and well- being; 2) sustainable cities and communities; and 3) climate action.

Reference: N. Canha, J. Lage, S. Candeias, C. Alves, S.M. Almeida (2017) Indoor air quality during sleep: characterisation and variability under different ventilation patterns. Atmospheric Pollution Research 8(6),1132- 1142. DOI: 10.1016/j.apr.2017.05.004

Collaborations: 1 CESAM | Centro de Estudos do Ambiente e do Mar, Departamento de Ambiente, Universidade de Aveiro, Aveiro, Portugal 2 ESTeSL | Escola Superior de Tecnologia da Saúde de Lisboa, Instituto Politécnico de Lisboa, Lisboa, Portugal 3 GIAS | Grupo de Investigação em Ambiente e Saúde da ESTeSL - Escola Superior de Tecnologia da Saúde de Lisboa, Instituto Politécnico de Lisboa, Lisboa, Portugal 4 APCMS | Associação Portuguesa de Cronobiologia e Medicina do Sono, Lisboa, Portugal 5 Sleep Unit - Autonomic Function Lab, Cardiovascular Center of University of Lisbon, Lisboa, Portugal 6 Centro de Investigação em Saúde Pública, Escola Nacional de Saúde Pública, Universidade NOVA de Lisboa, Portugal

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

Funding: FCT, LIFE Programme

Keywords: Indoor air quality; sleep quality; exposure; particulate matter; bedroom

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

O2.2 | Technological Characterisation And Absolute Dating Of Metallurgical Innovations In Ancient Symbols Of Status

Thematic Strand: Earth Systems, Radioactivity and Cultural Heritage

C2TN members: Pedro Valério*, Maria Fátima Araújo, António Monge Soares *Email of corresponding author: [email protected]

Research group: REI | Radiation, Elements and Isotopes Group

The lustre of metallic elements has always attracted humankind, the gold being one of the oldest symbols of status. However, less noble metals also had a degree of prestige among prehistoric communities due to the novelty factor and exotic nature at the time of its appearance in a certain region. The research has been establishing the chronology of the introduction of new metals and alloys in the southern Portuguese territory, in addition to investigate the alloying, joining methods and decoration techniques used in the manufacture of gold jewellery. The chronology of archaeological contexts containing artefacts made with innovative metals or alloys was established by radiocarbon dating of organic materials, such as bone, wood or charcoal, collected in those contexts. The alloy composition and production techniques of prestige goods were determined with non-invasive methodologies comprising optical microscopy, micro energy dispersive X-ray spectrometry and scanning electron microscopy with X-ray microanalysis (Figure 1).

Figure 1. Bronze Age burial at Horta de João Lopes (Vidigueira) containing the oldest lead artefact of the Iberian Peninsula (left). Gold necklace of Quinta do Castelo 5 (Beja) composed by 3 pendants and 11 spherical beads with evidences of brazing (right). The chronological, compositional and microstructural characterization of those ancient symbols of status has been clarifying the diachrony of novel materials and innovative technologies resulting from indigenous developments or brought by contacts with people from distant regions such as the Atlantic or Mediterranean areas. Moreover, the increased knowledge about our Cultural Heritage enhances the visibility and importance of archaeological sites, in addition to the relevance of archaeological exhibitions at national and regional museums.

Collaborations: 1 DCR/FCT | Departamento de Conservação e Restauro, Faculdade de Ciências e Tecnologia, Universidade Nova de Lisboa, Caparica, Portugal 2 Rui J.C. Silva | CENIMAT/i3N | Centro de Investigação em Materiais, Faculdade de Ciências e Tecnologia, Universidade Nova de Lisboa, Caparica, Portugal

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

3 Lídia Baptista | CEAACP | Centro de Estudos de Arqueologia, Artes e Ciências do Património, Universidade de Coimbra, Coimbra, Portugal 4 António Faustino Carvalho | Faculdade de Ciências Humanas e Sociais, Universidade do Algarve, Faro, Portugal 5 Pedro Pais Martins | Faculdade de Letras, Universidade do Porto, Porto, Portugal 6 Ever Calvo | ERA Arqueologia | Oeiras, Portugal

Funding: FCT/UID/Multi/04349/2013 (C2TN) POCI-01-0145-FEDER-007688, Reference UID/CTM/50025 (CENIMAT/i3N)

Keywords: Archaeometallurgy, Radiocarbon dating, Lead, Silver, Gold

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

O3.1 | Development Of TEM1/Endosialin Targeted Radioimmunoconjugates For Cancer Theranostics

Thematic Strand: Radiopharmaceutical Sciences and Health Physics

C2TN members: L. Gano, F. Mendes, C. Oliveira, A. Paulo* Students: A. D’Onofrio (PhD) *Email of corresponding author: [email protected]

Research group: RS | Radiopharmaceutical Sciences Group

The tumour endothelial marker 1 (TEM1/endosialin/CD248) is a receptor widely expressed in several human solid tumours and silenced in normal adult tissues, representing a suitable and potentially safe target for radioimmunotherapy of sarcoma1,2. Taking advantage of the very fast in vivo kinetic of the click reaction between tetrazines (Tz) and trans-cyclooctene (TCO), we want to explore a pre- targeting approach for in vivo recognition of TEM1 using a single chain fusion protein (scFv-Fc) that recognizes both the human and the murine TEM1 (Fig. 1).

Fig.1 Pre-targeting approach for in vivo recognition of TEM-1: Step 1. Administration of the scFv-Fc functionalized with TCO (long biological half-life); Step 2. After the elimination of the unbound scFv-Fc, administration of the tetrazine radiocomplex (short biological half-life). Our efforts to optimize the design of the final conjugates using commercially available radioisotopes (111In and 125I) included: i) Evaluation of radioiodinated scFv-Fc’s directed towards TEM1 TEM1 scFv-Fc’s were labelled with 125I and biologically evaluated to select the best candidate for preclinical studies. The evaluation comprised the in vitro studies of their uptake and internalization in TEM1-positive tumor cells (both muTEM1 and huTEM1), the assessment of their binding affinity and quantification of specific versus nonspecific binding. Once the best scFv-Fc was identified, biodistribution studies in tumor bearing mice were also performed. ii) Evaluation of 111In-labelled tetrazine-containing macrocyclic chelators A small family of macrocyclic chelators carrying tetrazine groups were synthesized and used to obtain clickable 111In-radiocomplexes for further targeting of TEM1 based on in vivo click chemistry strategies. Their in vivo stability and pharmacokinetics were studied in normal mice. The developed research work is expected to provide important insights for the development of TEM1- targeted radiopharmaceuticals, for which few studies have been reported so far but that can contribute to the rise of a more personalized approach in cancer treatment.

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

References: 1. S. Dunn, G. Coukos et al., Oncotarget. 2014; 5: 6994-7012; 2. Y. Guo, G. Coukos et el. Eur J Cancer. 2018 Feb; 90:111-121 Collaborations: J. Fierle1, S. Dunn1, D. Viertl2, T. Denoel2, J. Prior2. 1 LAbCore Platform | Ludwig Cancer Research, Lausanne, Switzerland 2 CHUV | University Hospital, Lausanne, Switzerland

Funding: Marie Skłodowska-Curie Fellowship of the European Commission’s Horizon 2020 Programme under contract number 642889 MEDICIS-PROMED.

Keywords: Click-Chemistry, Pre-Targeting, scFv-Fc, Endosialin, Theranostics

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

O3.2 | Medical Nanodosimetry And Molecular Radiotherapy (MRT): Towards Personalized And Precision Medicine

Thematic Strand: Radiopharmaceutical Sciences and Health Physics

C2TN members: Ana Belchior2,* (IST-ID contract), António Paulo1, Francisco Silva1(C2TN contract), Joana F. Guerreiro (C2TN contract)1,2 (C2TN contract), Célia Fernandes1, Elisa Palma (FCT)1, Filipa Mendes1, Margarida Caldeira2 (IST/LPSR contract), Octávia Monteiro Gil2, Paula Raposinho1, Pedro Teles2 (IST-ID contract), Pedro Vaz2, Salvatore Di Maria2 (C2TN contract), Yuriy Romanets2 Students: Ana Sá2 (PhD), Carina Coelho2 (PhD), Jorge Borbinha2 (PhD), Mariana Baptista2 (PhD), Pedro Gomes (PhD), Débora António (MSc), Filipe Pires (MSc), João Canhoto (MSc) *Email of corresponding author: [email protected]

Research groups: 1 RS | Radiopharmaceutical Sciences Group, 2 RPS | Radiation Protection and Safety Group

The majority of routinely used medical protocols utilizing ionizing radiation (IR) do not incorporate factors such as individual sensitivities to IR and, particularly in radiotherapy, still lack selectivity to target diseased tissues while sparing the adjacent healthy organs and tissues. Precision and personalized medicine is nowadays at the forefront of research, combining areas of research from physics (micro-and nanodosimetric calculations at the DNA level), radiopharmaceutical sciences (development of innovative radiopharmaceuticals using alpha-, beta- and Auger electron emitters) and radiobiology (validation of diagnostic and treatment biomarkers). In this field, at C2TN, ongoing research focus on: i) Assessment of doses and detrimental effects due to IR exposure of the patients and medical staff, using innovative Monte Carlo calculations coupled with patient-specific voxels phantoms and measurements in clinical environment to validate the computational models; ii) Biophysical modelling for targeted cancer therapy, combining computational-nanodosimetric calculations and cellular experiments; iii) Development and benchmarking with biological assays, of a nanodosimetric model of complex double stand breaks production and cell survival probabilities. iv) Assessment in cellular models of the radiobiological effects due to exposure to external radiation (protons, alpha particles and gamma photons) and internal emitters (99mTc and 64Cu); v) Validation of biomarkers to be used as a clinical tool in emerging theranostic applications. These results contribute for the improvement of the Quality and Safety of patient health care, more specifically: i) to quantify the risks associated to low dose exposure in the course of a radiotherapy treatment; ii) to develop personalized medical diagnostic methodologies for patient-specific exams and protocols; iii) to more accurately deliver the radiation dose in medical procedures, decreasing patients' morbidity; v) to perform the radiobiological evaluation of targeted radiopharmaceuticals for imaging and theranostic applications, including the potential side effects in healthy tissues. Goal: SDG 3- Ensure healthy lives and promote well-being for all at all ages

Collaborations: International 1 CEA –LIST | Commissariat à l’énergie atomique et aux énergies alternatives, Laboratoire National Henri Becquerel, Saclay, France 2 Helmholtz Centrum Munique, Munique, Germany

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

3 IRD | Instituto de Radioproteção e Dosimetria, Rio de Janeiro, Brazil 4 IRSN | Institut de Radioprotection et de Sûreté Nucléaire, Fontenay-aux-Roses, France 5 NCI | National Cancer Institute, Maryland, USA 6 PTB | Physikalisch-Technische Bundesanstalt, Braunschweig, Germany 7 SCK-CEN | Belgian Nuclear Research Centre, Mol, Belgium

National 1 CHLN | Centro Hospitalar de Lisboa Norte, EPE , Lisboa 2 CHLC | Centro Hospitalar de Lisboa Central, EPE, Lisboa 3 ESTESC | Escola Superior de Tecnologia da Saúde de Coimbra, Coimbra 4 FC I Fundação Champalimaud, Lisboa 5 FCT-UNL | Faculdade de Ciências e Tecnologia, Universidade Nova de Lisboa, Caparica 6 FCT-UC| Faculdade de Ciências e Tecnologia, Universidade de Coimbra, Coimbra 7 HDL | Hospital da Luz, Lisboa 8 IBEB | Instituto de Biofísica e Engenharia Biomédica, Lisboa 9 IPO Lisboa | Instituto Português de Oncologia de Lisboa, Lisboa 10 IPO Porto | Instituto Português de Oncologia do Porto FG, Porto

Funding: FCT (1 on-going post-doc fellowship, 2 projects submitted) EU - FP7-EURATOM, H2020–WIDESPREAD (submitted 1 project), EURAMET-EMPIR IAEA OPERRA

Keywords: Radiation Protection, Medical Physics, Monte Carlo Simulations, Micro- and nanodosimetry, Radiobiology

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

O4.1 | Groundwater Risks Associated To The Military Activities At Santa Margarida Military Camp, Based On Environmental Isotopes, Chemical And Enteric Virus Evaluation

Thematic Strand: Earth Systems, Radioactivity and Cultural Heritage

C2TN members: Paula M. Carreira*, Sandra Cabo Verde, Dina Nunes Students: Joana Madureira (PhD) *Email of corresponding author: [email protected]

Research group: REI | Radiation, Elements and Isotopes Group

Groundwater and soils contamination can derive from numerous sources which may carry a distinct “fingerprint” that allows for identification of the source of contamination or the process which gave rise to the contamination by a direct and indirect way. The identification of mixing between different water bodies (superficial and groundwater systems) can be obtained by environmental isotopes signatures. Also under this aim waterborne viral contamination of wastewater can be has been studied with a view to optimizing effluent treatment systems. The environmental impact ascribed to Santa Margarida Military Camp operation and military training activities was visible in different approaches: - chemical contamination of aquifer systems and soils by the use of TNT and DNT associated with military activities (e.g. conducting real fire); - accumulation of oils from the washing of military vehicles in surface and groundwater systems and soils; - groundwater degradation through the effluents associated to the wastewater treatment plant (after treatment) to the streams that may contribute to the entry of human enteric viruses such as Norovirus, Adenovirus and other contaminants. Through a multidisciplinary approach focused on the risk to human health aspects, water resources degradation and soil contamination, that are part to outline strategies that allow to anticipate and correct them, in the medium and short term, as stated in 3rd, 6th, 13th and 15th UN Sustainable Developmant Goal. The research started at Santa Margarida Military Camp, is starting point for “Smart Blue Water Camps” project launched EDA’s energy and environment programme. This programme is centred in defence sustainability that include water management infrastructure facing pressure due to climatic changes.

Collaborations: 1 Eduardo M. Braga da Cruz Mendes Ferrão – Campo Militar de Santa Margarida, Estado Maior do Exercito, Ministério da Defesa Nacional 2 Paula Figueiredo |CINAMIL – Academia Militar, Estado Maior do Exercito, Ministério da Defesa Nacional 3 José Manuel Marques; Maria Orquídia Neves | CERENA – Instituto Superior Técnico, Lisboa, Portugal

Funding: CINAMIL- Projeto RASA - Risks associated with soils and aquifers systems at Santa Margarida Military Field: chemical and viral evaluation

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

Keywords: Human health, groundwater and soils contamination, human enteric viruses, waste water treatment

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

O4.2 | Mössbauer Spectroscopy An Invaluable Technique In Materials Science

Thematic Strand: Advanced Materials

C2TN members: João C. Waerenborgh*, Bruno J.C. Vieira (C2TN contract) Students: Joana Capinha de Matos (PhD) *Email of corresponding author: [email protected]

Research group: ES | Solid State Group

The recoilless gamma ray emission and absorption first observed in 1957 by Rudolf Mossbauer gave rise to Mössbauer spectroscopy, a versatile technique, used in many areas of science. Measuring hyperfine effects with heretofore unrealizable accuracy it can give very precise information about the chemical, structural, magnetic and time-dependent properties of a material, as well as identifying phases containing the appropriate nuclide. Examples of Mössbauer spectroscopy studies performed in C2TN contributing to nanotechnology medicine, molecular magnetism and catalysis, will be presented. These research fields have significant impact in society: Superparamagnetic iron oxide nanoparticles (SPIONs) have shown great potential in biomedicine due to their high intrinsic magnetization behaviour. They are a key component for multifunctional nanoplatforms capable of accomplishing more sensitive and selective imaging of cancers and simultaneously performing the delivery of therapeutics to diseased sites (theranostics nanoplatforms). New synthetic routes for the preparation of more efficient SPIONs are now in progress. Magnets are a multi-billion euros business with a multitude of uses. The creation of molecular devices using one or a few magnetic molecules as well as molecular materials combining conducting (π-type, delocalized) and magnetic (d-type, localized) electrons have attracted major interest in molecular science since they can exhibit the coexistence of two distinct physical properties, furnished by two independent networks, or novel and improved properties when they interact. 2D magnetic materials have remained elusive until recently due to their instability under ambient conditions and the difficulty to experimentally detect magnetism in the 2D limit. Recently, a less explored field has emerged with 2D coordination polymers. A new family of these polymers exhibiting magnetic order even as monoatomic thick layers was obtained. A general strategy for their synthesis providing an unconventional route to tune at will the surface chemistry of the individual layers is designed.

Collaborations: Manuel Almeida, Laura C.J. Pereira, Isabel C. Santos, Vasco da Gama, C2TN, IST, Bobadela, Portugal. Clara Gonçalves, Centro de Química Estrutural, Departamento de Engenharia Química, IST, Universidade de Lisboa, Lisboa, Portugal. José Ramón Galán Mascarós, Cristina Sáenz de Pipaón, Institute of Chemical Research of Catalonia, The Barcelona Institute of Science and Technology (BIST), Tarragona, Spain. Eugenio Coronado, Guillermo Mínguez Espallargas, J. López-Cabrelles, Miguel Clemente-León, Alicia Forment- Aliaga, Instituto de Ciencia Molecular, Universitat de València, C/Catedrático José Beltrán 2, E-46980 Paterna, Spain.

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

Imanol de Pedro, Departmento CITIMAC, Facultad de Ciencias, Universidad de Cantabria, 390005 Santander, Spain. Narcis Avarvari, Alexandre Abhervé, Laboratoire MOLTECH-Anjou UMR 6200, UFR Sciences, CNRS, Université d’Angers, France. Jairton Dupont, Muhammad I. Qadir, Institute of Chemistry, UFRGS, Av. Bento Gonçalves, 9500, Porto Alegre 91501-970, Rio Grande do Sul, Brazil.

Funding: FCT projects (UID/Multi/04349/2013), ChemMat doctoral program (PD/BD/127914/2016), European Institute of Molecular Magnetism (EIMM), COST ACTION-CA15128 MOLSPIN.

Keywords: Mössbauer spectroscopy, Molecular Magnetism, 2D Magnetism, theranostics nanoplatforms

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

O4.3 | In-silico Contribution To The Design Of Innovative Molecular Imaging Probes And Theranostic Agents

Thematic Strand: Radiopharmaceutical Sciences and Health Physics

C2TN members: João D.G. Correia*, Rita Melo *Email of corresponding author: [email protected]

Research group: RS | Radiopharmaceutical Sciences Group

Nowadays, an integrated novel approach of network-based systems biology, molecular docking, and molecular dynamics became a valuable tool to gain insight into the role played by molecules in vivo, namely those potentially useful as drugs. These network methodologies are focused on assembling high-dimensional biological data-sets like chemical molecules and targets, to extract meaningful information, being the current trend in pharmacology. Our research group has been engaged in the development of radiolabelled multifunctional target- specific nanoparticles for cancer theranostics. Profiting from our overall expertise in radiopharmaceutical sciences, and in order to take a step forward, we are focused in the individual characterization of molecular systems as well as in the development of innovative key methodologies. In this way, we will be able to tackle specific problems in the area of structural computational biology that will contribute to the optimization of the molecular imaging probes and/or theranostics agents. Thus, a new research line is being developed in the area of data-driven biology computation and will support and monitor the experimental work paths in RSG-C2TN. Recently, the RSG has been awarded a FCT project (PTDC/QUI-OUT/32243/2017, PI: Rita Melo) in the computational chemistry field, highlighting the interest of the scientific community in this methodological approach.

Collaborations: 1 Irina S. Moreira | Center for Neuroscience and Cell Biology , Coimbra, Portugal 2 Alexandre M.J.J. Bonvin | Bijvoet Center for Biomolecular Research, Faculty of Science, Utrecht University, Utrecht, The Netherlands 3 Zeynep | Icahn Institute for Genomics and Multiscale Biology, Icahn School of Medicine at Mount Sinai, New York, USA

Funding: FCT - PTDC/QUI-OUT/32243/2017 and PTDC/QUI-NUC/30147/2017

Keywords: data-driven biology computation, theranostics, molecular Imaging probes

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

POSTER PRESENTATIONS

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

ID Title Presenting Author

Marta F. Dias P01 C2TN Task Force on Proton Therapy and Research Protons Task-force Targeting the transporters of cationic amino acids for cancer João D. G. Correia P02 radiotheranostics: Experimental and computational chemistry approach RS Membrane proteins - development of new computational approaches and its Rita Melo P03 application to G-Protein Coupled Receptors RS Filipa Mendes P04 Novel Molecular Imaging Tools for Cystic Fibrosis RS António Paulo P05 Multifunctional Nanoseeds for Chemoradiotherapy of Glioblastoma RS António Paulo P06 Radiopharmaceutical Sciences Group RS Margarida Caldeira P07 Metrology in Health and Industry RPS José Corisco P08 Environmental radioactivity and radioecology RPS Innovative dosimetric and radiobiology approaches and leading edge Salvatore di Maria P09 methodologies in the medical uses of ionizing radiation RPS Emergency preparedness and response in case of a nuclear or radiological Octávia Monteiro Gil P10 accident in Europe RPS Radioactive Waste: Research, Education and Training, Public Perception and Isabel Paiva P11 Societal Acceptance RPS Uses of a Nuclear Microprobe setup (Cultural Heritage meets functional Luis Alves P12 materials) REI Production and use of metal in SW Iberian Peninsula from the Chalcolithic to Maria Fátima Araújo P13 the Roman Empire REI Sandra Cabo Verde P14 Applications of Ionizing Radiation: Why and What for? REI Paula Carreira P15 Climatic Changes: isotopic fingerprints in aquifers and marine mollusk shells REI Polymeric materials obtained by -radiation for skin scaffolds and for Roman L. M. Ferreira P16 mosaic preservation REI Development of tools to tackle air pollution, climate change and burden of Marta Almeida P17 disease in urban systems NET Radioactive Local Probe Techniques at the ISOLDE CTN experimental João Correia P18 infrastructure, 2018 achievements NET Ana Fernandes P19 Superheated Liquid Detectors for Science and Society NET Geochemistry of surficial environments of oceanic volcanic islands in arid and Rosa Marques P20 semi-arid climates – a contribution to regional development planning NET Ana Luisa Rodrigues P21 Nuclear and radiation-based methods as tool to cultural heritage safeguard NET José M. Carretas P22 Rare earth recovery and valorisation / Protection of environment QEf Ana C. Ferreira P23 Catalysis (nano structures for CO removal and fuels production) 2 QEf Non-aqueous uranium coordination chemistry: uranium complexes supported Leonor Maria P24 by hydrobis(mercaptoimidazolyl)borates QEf Joaquim Marçalo P25 Gas-Phase f-Element Chemistry Studies QEf

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

ID Title Presenting Author

Bernardo Monteiro P26 Ln-based Compounds: from Magnetism to Optical Sensing QEf Dulce Belo P27 Neutrability: Soluble Neutral Materials for Molecular Electronics ES Elsa Lopes P28 Thermoelectric materials for energy ES Laura C. J. Pereira P29 Slow relaxation of magnetization in molecular materials ES Self Assembled Bilayer Molecular Metals (CNB-EDT-TTF) X; Polymorphism and Sandra Rabaça P30 4 Superconductivity ES The importance of cation-anion interaction in the spin crossover Bruno Vieira P31 phenomenon: Structural and magnetic correlations in [Fe(nsal2trien)] salts ES Dulce Belo P32 Outreach Group of C2TN: Sharing Science with Society GO

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

2 P01 | C TN Task Force On Proton Therapy And Research

Thematic Strand: Advanced Materials Earth Systems, Radioactivity and Cultural Heritage Radiopharmaceutical Sciences and Health Physics

C2TN members: Ana Belchior2, Ana Fernandes4, António Paulo1, Fernanda Margaça3, Filipa Mendes1, Joana Guerreiro1,2, Luís M. Ferreira3, Lurdes Gano1, Marta F. Dias5,*, Pedro Santos3, Pedro Teles2, Pedro Vaz2, Salvatore di Maria2, Sandra Cabo Verde3 *Email of corresponding author: [email protected]

More than one quarter of all deaths in the European Union (EU) are caused by cancer and it has been estimated that 1 in 3 people in the EU will be diagnosed with cancer in their lifetime. The Portuguese Minister of Science has officially announced that Portugal is interested in building its first national charged particle cancer therapy and research centre as means to decrease the number of deaths due to cancer. This center will be built at the Campus Tecnólogico e Nuclear (CTN) from Instituto Superior Técnico (IST), where Centro de Ciências e Tecnologias Nucleares (C2TN) is located. Aiming at developing research of excellence in the field of proton therapy and research, C2TN has assembled a task force with experienced researchers whose expertise will strengthen the Portuguese know-how and future scientific output in the field of proton therapy and research. This task force includes C2TN scientists from different research groups: Radiation, Elements and Isotopes, Radiation Protection and Safety, Radiopharmaceutical Sciences, and Nuclear Engineering Techniques. Here, we will present some of the envisaged scientific contributions from C2TN in therapy and research using proton beams. These foresee research in the fields of Radiation Protection, Medical Physics, Radiation Biology, Theranostics and multimodal imaging, and Advance Materials. Examples of the possible basic and applied science projects are, among others: - Shielding assessment of setups optimized for experiments with the proton beam; - Neutron detection and dosimetry; - Nanodosimetry; - Pulse radiolysis; - Establishment of animal models suitable for proton therapy preclinical studies; - Material activation using proton beams; Activities for network establishment are being pursued, in an effort to create synergies in present and future international collaborative efforts.

Keywords: Proton, therapy, research, C2TN

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

P02 | Targeting The Transporters Of Cationic Amino Acids For Cancer Radiotheranostics: Experimental And Computational Chemistry

Approach

Thematic Strand: Radiopharmaceutical Sciences and Health Physics

C2TN members: João D.G. Correia*, Filipa F. Mendes, Paula D.G. Raposinho *Email of corresponding author: [email protected]

Research group: RS | Radiopharmaceutical Sciences Group

The majority of the cancer cells become auxotrophic for nutrient and energy sources, resulting in upregulation of membrane transport proteins, namely cationic amino acid (CA) transporters. Radiotracers targeting those transporters hold potential for non-invasive theranostics of cancer. Such type of radiotracers is rather unexplored and no radiometal-based molecules have been described, especially those based on radiometals obtained from widespread commercially available generators. Combining an experimental approach with computational chemistry, this project aims at addressing unmet needs in the clinical setting through design of new families of radiometallated CA derivatives for cancer theranostics. The accomplishment of these goals requires a multidisciplinary team with experts on Radiopharmaceutical Sciences (C2TN-IST) and on Structural, Computational and Chemical Biology (CNC-UC). This complementarity will allow the development of the scientific program that includes the following activities: Task 1: Synthesis of CA-bearing chelating agents for preparation of radioactive metal complexes (99mTc or 67Ga); Task 2: Preparation and characterization of the radiometal complexes; Task 3: Cell uptake and internalization studies in human cancer cell lines. The ability to cross the blood brain barrier will be also evaluated; Task 4: Identification of the entry mechanisms and transporters involved in the uptake; Task 5: Biodistribution and SPECT-imaging studies of the most promising radiometal complexes in relevant mice bearing xenografts; Task 6: Homology modelling and molecular docking, followed by Molecular Dynamics and detailed characterization of energetics and dynamics of the modelled complexes. The outcome of the combined experimental and in silico approaches will enable the rationalization of the overall results and to identify the structural features that influence the affinity of the (radio)metal complexes for the transporters binding sites. In this way, alterations to the lead compounds can be proposed, which will ultimately result in the design of metal complexes with improved CA transporter-recognizing properties and higher potential for cancer theranostics.

Collaborations: Irina Moreira, Centro de Neurociências e Biologia Celular, Universidade de Coimbra, Coimbra, Portugal.

Funding: FCT project PTDC/QUI-NUC/30147/2017.

Keywords: Cancer, Computational chemistry, Nuclear imaging, Transporters of cationic amino acids

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

P03 | Membrane Proteins - Development Of New Computational Approaches And Its Application To G-Protein Coupled Receptors

Thematic Strand: Radiopharmaceutical Sciences and Health Physics

C2TN members: Rita Melo*, João D.G. Correia *Email of corresponding author: [email protected]

Research group: RS | Radiopharmaceutical Sciences Group

Three-dimensional (3D) structures of protein-protein complexes are fundamental for structural biology and drug discovery. However, the number of resolved structures is still very low. Docking algorithms were developed for that purpose, but have limited accuracy in generating native-like structures and identifying the most correct one, and none was developed for membrane proteins such as G-protein Coupled Receptors (GPCRs). To deal with these complex systems and overcome current limitations, we will develop novel computational approaches based on combinations of mature methodologies, targeted to membrane proteins in general. Particularly, we will focus on developing software to accurately predict interfacial residues in high-order oligomers and improving search and scoring algorithms for the docking of membrane proteins, by considering the influence of the cellular bilayer. This is a relevant and innovative area due to the lipidic environment context that is poorly addressed in current docking tools. Our new approaches will be applied to the dopamine receptor type 2 (D2R), a typical member of Class A GPCRs involved in many cognitive, emotional and motor functions. D2R acts by ligand-dependent signalling through two major systems: G-proteins, and Arrestin (Arr-s). Ligand preference and selectivity is not yet understood at a molecular level, and this precludes both the characterization of pathway selectivity and the design of biased ligands. More importantly, the physiological relevance of oligomerization for this process is still a hot topic. Only by understanding both the organization and dynamics of receptor interactions will it be possible to determine the potential of targeting dimers in drug development. This project will yield innovative methods and approaches to study membrane protein systems and their functional mechanisms, benefiting the entire research field. It will also provide truly new fundamental knowledge and insights into the selectivity of D2R signalling by offering mechanistic explanations and experimentally verifiable hypotheses.

Collaborations: 1 Irina S. Moreira | Center for Neuroscience and Cell Biology, Coimbra, Portugal 2 Alexandre M.J.J. Bonvin | Bijvoet Center for Biomolecular Research, Faculty of Science, Utrecht University, Utrecht, The Netherlands 3 José Guilherme Almeida | Center for Neuroscience and Cell Biology, Coimbra, Portugal 4 Harel Weinstein | Weill Medical College of Cornell University, New York, USA

Funding: FCT - PTDC/QUI-OUT/32243/2017

Keywords: membrane proteins, GPCR, molecular modelling, molecular docking

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

P04 | Novel Molecular Imaging Tools For Cystic Fibrosis

Thematic Strand: Radiopharmaceutical Sciences and Health Physics

C2TN members: Filipa Mendes*, João D.G. Correia, Lurdes Gano Students: Vera F.C. Ferreira (PhD), Mariana A.M. David (Research Fellow) *Email of corresponding author: [email protected]

Research group: RS | Radiopharmaceutical Sciences Group

Cystic fibrosis (CF) is a life-shortening genetic disease caused by mutations in the CF Transmembrane conductance Regulator (CFTR) gene that encodes a chloride channel critical for epithelial ion and fluid transport. Since the identification of the responsible gene in 1989, our understanding of CF pathophysiology has improved and ~2000 CFTR mutations are described, being F508del the most common, occurring in ∼90% of CF patients. Most mutations result in loss of CFTR mediated Cl- secretion by reduction in the number of CFTR channels or by impairment of the transport ability of the channel. Although being one of the most intensively investigated monogenic disorders, symptomatic treatment remained the bedrock of CF patient care until the beginning of this decade. Recently, novel therapies based on small organic molecules that target the basic defect in CF have been approved. One of the therapies combines two molecules to partially restore the trafficking and functional defects of F508del-CFTR. Despite this exciting development, from the translational medicine perspective there remains a need to improve disease biomarkers and non-invasive therapeutic endpoints used in clinical trials. The aim of this project is to bring forward a novel molecular imaging approach to the managing of CF. This will be achieved by new imaging biomarkers made available through the development of specific nuclear medicine probes, based on anti-CFTR-antibody fragments. By allowing CFTR detection at the membrane of human cells, these probes will have the potential to be transferred as a tool to assess early therapy response in drug evaluation, thereby facilitating translational research. The proposed work clearly aligns with the UN Sustainable Development Goal 3 “Ensure healthy lives and promote well-being for all at all ages”, as it aims to contribute to improve the ability to manage CF, and ultimately, to translate fundamental research into medical application and health benefit.

Collaborations: 1 BioISI I Instituto de Biosistemas e Ciências Integrativas, Faculdade de Ciências, ULisboa, Portugal 2 iMed I Instituto de Investigação do Medicamento, Faculdade de Farmácia, ULisboa, Portugal 3 ProQr Therapeutics, Leiden, The Netherlands 4 Department of Chemistry, University of Cambrige, Cambridge, UK 5 Case Western Reserve University, Cleveland, Ohio, USA

Funding: FCT – grants EXPL/BIM-MEC/0115/2012 and PTDC/BTM-TEC/29256/2017 FEBS – Summer Fellowship to V Ferreira

Keywords: Molecular Imaging, Cystic Fibrosis, Rare Disease–ORPHA586, Antibody fragments

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

P05 | Multifunctional Nanoseeds For Chemoradiotherapy Of Glioblastoma

Thematic Strand: Radiopharmaceutical Sciences and Health Physics

C2TN members: Ana Belchior1, António Paulo1,*, Fernanda Marques1, Francisco Silva1, Maria C. Oliveira1, Maria P.C. Campello1, Paula Raposinho1, Pedro Teles1 Students: Alice D’Onofrio (PhD) *Email of corresponding author: [email protected]

Research groups: 1 RS | Radiopharmaceutical Sciences Group, 2 RPS | Radiation Protection and Safety Group

Fully curative therapy remains elusive for many cancers, namely gliomas that correspond to the major part of brain primary tumours. This is particularly true for glioblastoma multiforme (GBM), which is by far the most common and malignant glioma subtype. GBM has one of the lowest survival rates and highest tumour-related average years of life lost among all cancers. Therefore, there is an urgent need for innovative therapies against GBM to obtain improved outcomes. To tackle this goal, this project focuses on the design and preclinical evaluation of multifunctional gold nanoparticles (AuNPs) for image-guided GBM chemoradiotherapy. These multifunctional AuNPs will allow the simultaneous target-specific delivery of cytotoxic Pt(IV) prodrugs and imaging (111In, 124I) or therapeutic (177Lu, 125I) radionuclides. To obtain GBM-avid nanoseeds, the AuNPs surface will be decorated with bombesin or substance P derivatives to target, respectively, the gastrin releasing peptide receptor (GRPr) or tachykinin NK1 receptors, overexpressed in GBM (Figure 1).

Figure 1. Schematic drawing of the designed multifunctional nanoseeds. The proposed work comprises the following steps: i) AuNPs chemical modification, i.e, their functionalization with bioactive peptides and/or linkage of Pt(IV) prodrugs through formation of Au- S bonds; ii) detailed biophysical characterization of the resulting nanoconjugates to assess the interaction with plasmatic proteins and binding affinity towards the putative receptors; iii) evaluation of cellular uptake, cytotoxicity and induced mechanisms of cell death in human glioblastoma cell lines; iv) biodistribution and PET/SPECT imaging studies in GBM xenografts; v) assessment of therapeutic effects in a murine GBM orthotopic model, upon intratumoral administration of selected nanoseeds; vi) dosimetric calculations to rationalize the therapeutic efficacy and eventual side- effects. The expected outcomes will provide chemical, radiochemical and biological knowledge useful to design more efficient and selective therapies with a positive impact in the overall management of GBM. Therefore, this project might contribute to translate fundamental research discoveries into medical application and health benefit for the Society.

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

Collaborations: Mauro Ravera1, Carla Cruz2, Josué Carvalho2, Tiago Santos2, Nuno Mendes3, Fatima Gartner3, Jordi Llop4 1 Dipartimento di Scienze e Innovazione Tecnologica, Università del Piemonte Orientale, Alessandria, Italy 2 CICS I Centro de Investigação em Ciências da Saúde, Universidade da Beira Interior, Covilhã, Portugal 3 i3S I Instituto de Investigação e Inovação da Universidade do Porto, Portugal 4 CIC biomaGUNE I Parque Científico y Tecnológico de Gipuzkoa, Gipuzkoa, Spain

Funding: FCT – EXCL/QEQ-MED/0233/2012 and PTDC/MED-QUI/29649/2017

Keywords: Cancer Theranostics, Glioblastoma, Nanomedicine, Chemoradiotherapy

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

P06 | Radiopharmaceutical Sciences Group

Thematic Strand: Radiopharmaceutical Sciences and Health Physics

C2TN members: António Paulo1,*, Célia Fernandes1, Cristina Oliveira1, Elisa Palma1 (FCT), Fernanda Marques1, Filipa Mendes1, Francisco Silva1 (C2TN contract), Joana F Guerreiro1,2 (C2TN contract), João DG Correia1, Lurdes Gano1, Paula Campello1, Paula Raposinho1, Rita Melo1 (FCT) Students: Alice D´Onofrio1 (PhD), Vera Ferreira1 (PhD), João Machado1 (PhD), Mihaela Cudalbeanu1 (PhD), Adriana Cruz1 (MSc), Ana Amendoeira1 (MSc), Ana Inácio1,2 (MSc), Diogo Figueiredo1,2 (MSc), Sofia Batanete1 (MSc), Mariana David1 (Research fellow), Rúben Silva1 (Research fellow) *Email of corresponding author: [email protected]

Research groups: 1 RS | Radiopharmaceutical Sciences Group, 2 RPS I Radiation Protection and Safety Group

The Radiopharmaceutical Sciences Group (RSG) develops research activities on the design and preclinical evaluation of radioprobes for Positron Emission Tomography (PET) or Single Photon Emission Computed Tomography (SPECT) imaging and Targeted Radionuclide Therapy (TRT). This research field has valuable translational potential in the diagnostic and/or treatment of oncological, cardiovascular and neurodegenerative diseases, and can contribute for the rise of molecular and personalized medicine. The RSG gathers a multidisciplinary team of scientists with expertise in chemistry, radiochemistry and biological sciences, who run dedicated facilities for: i) chemical synthesis (including solid phase peptide synthesis); ii) radiosynthesis; iii) biochemical, molecular biology and cellular studies; iv) animal housing and biodistribution studies. The research group is mainly involved in the study of innovative target-specific radiopharmaceuticals, based on a plethora of imaging or therapeutic radionuclides, to image/interfere with different disease-associated molecular and biological pathways. The group is a key partner of renowned national/international institutions involved in radionuclide production, nuclear medicine and biomedical research, due to its rare combination of radiopharmaceutical chemistry expertise with preclinical evaluation skills. There is also an active collaboration with research groups engaged in the discovery and development of novel drugs, as well as technology transfer activities within research contracts with national/international biotech companies, namely in the field of antibody-based biopharmaceuticals. The RSG is also committed to provide advanced training to students and young scientists on Radiopharmaceutical Sciences and Molecular Imaging, being partner of the ITN “MEDICIS-produced radioisotope beams for medicine” lead by CERN and the PhD program “ChemMedTrain”. Several members of RSG teach 2nd and 3rd cycle curricular units and the group also receives undergraduate and graduate students from different schools of the Universidade de Lisboa and other national and international universities for laboratory rotations, MSc or PhD thesis.

Collaborations: International 1 AUN I Assiut University, Assiut, Egypt 2 Cardiff University, Cardiff, UK 3 CERN I European Laboratory for Particle Physics, Geneva, Switzerland 4 CHUV I Centre Hhospitalier Universitaire Vaudois, Lausanne, Switzerland 5 ICMAB I Instituto de Ciencia de Materiales de Barcelona- CSIC, Barcelona, Spain 6 IQFR I Instituto de Química Física Rocasolano - CSIC, Madrid, Espanha

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

7 IQSC-USP I Instituto de Química de São, Carlos, Universidade de São Paulo, São Carlos, Brasil 8 iSm2 I Institut des Sciences Moléculaires de Marseille-CNRS, Marseille, France 9 Ludwig Institute for Cancer Research, Zurich, Switerzland 10 MU I University of Missouri, Columbia, Missouri, USA 11 POLATOM I Nationla Centre for Nuclear Research POLATOM, Otwock, Poland 12 TUM I Technische Universität München, Munich, Germany 13 UAM I Universidad Autónoma de Madrid, Madrid, Spain 14 UdelaR I Universidad de la República, Montevideo, Uruguay 15 UGAL I "Dunarea de Jos" University of Galati, Galati, Romania 16 ULB I Université libre de Bruxelles, Brussels, Belgium 17 Universitat Wien, Vienna, Austria 18 Université de Sherbrooke, Sherbrooke, Canada 19 University of Cambrige, Cambridge, UK 20 UPO I Università degli Studi del Piemonte Orientale “Amedeo Avogadro”, Alessandria,Italy 21 UVIGO I Universidad de Vigo, Vigo, Spain 22 UZH I Universitat Zurich, Zurich, Switzerland

National 1 BioISI I Insituto de Biosistemas e Ciências Integrativas, Faculdade de Ciências, Universidade de Lisboa, Lisboa 2 CICS I Centro de Investigação em Ciências da Saúde, Universidade da Beira Interior, Covilhã 3 CIISA I Centro de Investigação Interdisciplinar em Saúde Animal, Faculdade de Medicina Veterinária, Universidade de Lisboa, Lisboa 4 CNC I Centro de Neurociências e Biologia Celular, Universidade de Coimbra, Coimbra 5 CQE I Centro de Química Estrutural, Universidade de Lisboa, Lisboa 6 FC I Fundação Champalimaud, Lisboa 7 FCT I Faculdade de Ciências e Tecnologia, Universidade Nova de Lisboa, Caparica 8 i3S I Instituto de Investigação e Inovação em Saúde, Universidade do Porto, Porto 9 ICNAS I Instituto de Ciências Nucleares Aplicadas à Saúde, Universidade de Coimbra, Coimbra 10 iMed I Instituto de Investigação do Medicamento, Faculdade de Farmácia, Universidade de Lisboa, Lisboa 11 IMM I Instituto de Medicina Molecular, Faculdade de Medicina, Universidade de Lisboa, Lisboa

Funding: CRUP, FCT, EU, IAEA, Hovione, ProQr Therapeutics, Technophage

Keywords: Radiopharmaceuticals, Molecular Imaging, Nuclear Medicine, Theranostics, Nanomedicine

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

P07 | Metrology In Health And Industry

Thematic Strand: Radiopharmaceutical Sciences and Health Physics

C2TN members: Ana Belchior (IST-ID contract), Carlos Oliveira (retired), Isabel Paiva2 Margarida Caldeira* (IST contract), Mário Reis, Marta Santos, Pedro Teles (IST-ID contract), Pedro Vaz, Salvatore Di Maria (IST-ID contract), Yuriy Romanets Students: Jorge Borbinha (MSc-fellow), Pedro Gomes (PhD) *Email of corresponding author: [email protected]

Research group: RPS | Radiation Protection and Safety Group

In the last few years, members of the GPSR have been working in metrology related activities, either by the active participation in metrology research programmes within the framework of EURAMET, focused on subjects such as Health and Industry, or by the involvement in PhD programmes. In the industry field, Project MetroNORM established new reference materials and standard sources, and developed novel in-situ and laboratory measurement instruments and procedures to be used by the European NORM industry. The outputs of the project were disseminated to metrologists, stakeholders, regulators and end-users, and led to a significant reduction in uncertainties of NORM instrument calibration and measurements, leading to cost-effective, accurate and reliable end-user measurements for NORM industry and increasing safety in NORM production. As for the health field, the objective of the on-going normative Project RTNorm is to re-calculate the quality factors used in the IAEA protocol TRS-398 for radiotherapy dosimetry (calculated in the 1990’s), using state-of-the-art Monte-Carlo simulation tools and experimental methods, leading to the decrease of uncertainties and harmonization of values across hospitals. Validated results will be incorporated into the upcoming IAEA TRS-398 revision and European hospitals will have reliable correction factors for the latest ionizing radiation technologies. The radiation protection of patients is a major metrological concern that starts in the primary standard definition. To address this question, a homemade graphite cavity chamber for the measurement of air-kerma in the energy range of 60Co was designed, constructed and characterized, in agreement with the European pursuit of a more accurate metrological basis for quantities related to the safe use of ionizing radiation. An important task for the future is the establishment of procedures for the measurement of micro- and nanodosimetric quantities, and the respective uncertainty budgets, which need to identify and quantify all sources of uncertainty associated to the measurement devices as well as those associated to the track structure simulation codes. These topics relate to Goals 3 and 9 in the 2030 Agenda for Sustainable Development. The quality of measurement is a fundamental aspect in our everyday life. If we add ionizing radiation measurements to the equation, the subject becomes even more challenging, with a direct impact in the community.

Collaborations: Partners and counterpart institutions from EU countries, international organizations (EMRP, EMPIR) CEA –LIST | Commissariat à l’énergie atomique et aux énergies alternatives, Laboratoire National Henri Becquerel, Saclay, France

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

Funding: EURAMET (EMRP, EMPIR)

Keywords: EURAMET, NORM, Radiotherapy, Standards, Micro and nano-dosimetry

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

P08 | Environmental Radioactivity And Radioecology

Thematic Strand: Earth Systems, Radioactivity and Cultural Heritage

C2TN members: José Corisco2,*, Mário Reis2, Maria José Madruga2, Eva Andrade2, Marta Santos2, Célia Fernandes1, Elizabete Ribeiro1, M. Helena Casimiro3 (IST-ID contract), Luís M. Ferreira3, Isabel Prudêncio4 Post-Doc Contract: Jan Mihalik2 *Email of corresponding author: [email protected]

Indoor radon measurements and exhalation rates in building materials are used to identify areas where houses have a high probability of exhibiting high radon concentrations. Radon potential maps are used to show the spatial distribution of radon levels, for its control through planning, building requirements, and environmental health legislation. Under the frame of the United Nations 2030 Agenda for Sustainable Development, the above mentioned issues are in compliance with goal 3 “Good health and well-being for people”, since radon in indoor air is a public health issue, and goal 11 “Sustainable cities and communities”, since special attention should be paid to air quality, reducing the adverse per capita environmental impact of cities. Radium activity concentrations and radon exhalation rates were measured in several types of building materials, using gamma-ray spectrometry for 226Ra and a continuous radon monitor and SSNT detectors for 222Rn. The 226Ra activity concentrations range from 5 to 123 Bq kg-1. The higher radon exhalation rates were measured in granite samples. The assessment of the exposure of wild life to inonizing radiation, meets the criterium of the Agenda, namely on goals 14 “Life below water”, and 15 “Life on land”. Combining this with the environmental dosimetry approach promoted by ICRP regarding reference widlife forms (ICRP Document 108, 2008), the assessment of absorbed dose was done in submerged hydrophytes and emergent plants of Tejo river and in the wild herbaceous vegetation and mosses growing on a phosphogypsum tailing in Portugal. Monte – Carlo code MCNPX was applied in dose assessment. Results express levels of background radiation mainly due to 226,228Ra, 210Pb and 40K. Facing the need to understand the fate of artificial radionuclides on contaminated ground areas after nuclear accidents, experimental work has been done on the remobilization of 137Cs resulting from the degradation of contaminated plant biomass in soil. Adsorption and bioavailability from humic acid (HA)/humic acid like compounds (HALC) and montmorillonite was investigated. Bioavailability increases when 137Cs reaches the soil associated with newly formed HALC from compost, than when it is adsorbed on stable HA in soil. Long-term interaction of 137Cs with HALC led to decrease the fraction adsorbed on montmorillonite and increase its bioavailable fraction. Once this phenomen is impacting on the bioavailability of 137Cs to terrestrial food chains, the study corresponds well with the objectives of the above mentioned goal 15 of the Agenda. These and future activities fulfill the objectives aimed by the European Radioecology ALLIANCE and the European Radiation Dosimetry Group – EURADOS to which IST is an affiliated member, reinforcing the commitment of Portugal towards the requirements of Article 35 of EURATOM Treaty.

Collaborations: 1 Conrado Miró | Departamento de Física Aplicada, Universidade da Extremadura 2 Pedro Nogueira | Thünen Institute of Fisheries Ecology Herwigstrasse 31, 27572 Bremerhaven, Germany.

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

Funding: FCT ID/Multi/04349/2013 project

Keywords: Radon, absorbed dose, phosphogypsum, 137Cs, bioavailability.

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

P09.1 | Dosimetry Of The Medical Applications Of Ionizing Radiation

Thematic Strand: Radiopharmaceutical Sciences and Health Physics

C2TN members: Ana Belchior (IST-ID contract), Pedro Teles (IST-ID contract), Pedro Vaz, Salvatore Di Maria* (IST-ID contract), Yuriy Romanets Students: Ana Sá (PhD), Débora António (MSc), Filipe Pires (MSc), Jorge Borbinha (MSc-fellow), Mariana Baptista (PhD), Maria João Carapinha (PhD), Pedro Gomes (PhD), Mariana Trincão (MSc), João Canhoto (MSc), Maria José Rodrigues (MSc), Cláudia Gonçalves (MSc) *Email of corresponding author: [email protected]

Research group: RPS | Radiation Protection and Safety Group

The Radiation Protection and Safety Group is actively involved in some of the most important ionizing radiation medical applications, both in diagnostic and therapy. The undertaken activities encompass Monte Carlo (MC) modeling and simulations and measurements in laboratories and Hospitals. A special effort is devoted to the development of new dosimetric formalisms for Cone Beam CT (CBCT), in order to easily relate measurable quantities with patient organ doses. Another important research line is devoted to the use and manipulation of voxel-based phantoms, which play a major role in the development of personalized-patient dosimetry for several applications such as Digital Breast Tomosynthesis (DBT) and interventional cardiology. Regarding internal dosimetry activities, modified biokinetic models have been developed and the determination of specific-absorbed fractions (SAFs) in organs for paediatric patients in nuclear-medicine examinations have been performed, including uncertainty analysis. Also, dosimetric studies related to the establishment of diagnostic reference levels (DRLs) in Portugal are being performed. In radiotherapy applications, a major effort is devoted to the accurate MC modeling of linear accelerator in order to assess the out-of-field doses, mainly in peadiatric patients. Concerning new radiation therapy concepts, studies on radionuclide target therapy are under investigation combining MC calculations and radiobiological assays, aiming to study the impact of tumor phenotypes intervariability. The societal impact of these research and training activities encompasses: i) raising the awareness about the radiation protection of patients (including paediatric); ii) patient dose and radiological- cancer and non-cancer risk estimation for better justification of medical procedures; iii) Contributing to the Quality and Safety of healthcare; iv) education and training of students and health professionals. Future activities include dosimetric studies for innovative and challenging techniques (such as ion therapy), increasing the knowledge about specific patient dosimetry and estimating cancer risk models for organs. Involvement in previous techniques of radiodiagnostic and Nuclear Medicine exams will be pursued and furthered.

Collaborations: International 1 IRSN | Institut de Radioprotection et de Sûreté Nucléaire, Fontenay-aux-Roses , France 2 SCK-CEN | Belgian Nuclear Research Centre, Mol, Belgium 3 IRD | Instituto de Radioproteção e Dosimetria, Rio de Janeiro, Brazil 4 Helmholtz Centrum Munique, Munique, Germany

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

5 PTB | Physikalisch-Technische Bundesanstalt, Braunschweig, Germany 6 NCI | National Cancer Institute, Maryland, USA 7 ENEA |Agenzia nazionale per le nuove tecnologie, l'energia e lo sviluppo economico sostenibile| Lungotevere Thaon di Revel, 76 , 00196 ROMA Italia

National 1 Fundação Champalimaud, Lisboa, Portugal 2 HDL | Hospital da Luz, Lisboa, Portugal 3 CHLN | Centro Hospitalar de Lisboa Norte, EPE description, Lisboa, Portugal 4 CHLC | Centro Hospitalar de Lisboa Central, EPE description, Lisboa, Portugal 5 IPO Porto | Instituto Português de Oncologia do Porto FG, Porto, Portugal 6 IPO Lisboa | Instituto Português de Oncologia de Lisboa, Lisboa, Portugal 7 ESTESC | Escola Superior de Tecnologia da Saúde de Coimbra, Coimbra, Portugal 8 IBEB | Instituto de Biofísica e Engenharia Biomédica, Lisboa, Portugal 9 FCT-UNL|Faculdade de Ciências e Tecnologia, Universidade Nova de Lisboa, Caparica, Portugal 10 FCT-UC| Faculdade de Ciências e Tecnologia, Universidade de Coimbra, Coimbra Portugal

Funding:  FCT  FP7-EURATOM  IAEA  OPERRA (platform)  H2020–WIDESPREAD  EURAMET – EMPIR

Keywords: Radiation Protection, Medical Physics, Radiotherapy, Radiodiagnostics, E&T

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

P09.2 | Biological Effects Of Radiation

Thematic Strand: Radiopharmaceutical Sciences and Health Physics

1,2 C2TN members: Ana Belchior2,* (IST-ID contract), Joana F. Guerreiro (C2TN contract), Ana Catarina Antunes2 (IST-ID contract), António Falcão3, António Rocha Paulo1, Elisa Palma1 (FCT), Filipa Mendes1, Maria Cristina Oliveira1, Octávia Monteiro Gil2, Paula Raposinho1, Pedro Santos3 (C2TN contract), Pedro Vaz2 Students: Cristina Pricacaruta2,3 (trainee), Filipe Pires2 (MSc), João Canhoto2 (MSc), Stefan Spinache2,3 (trainee) *Email of corresponding author: [email protected]

Research groups: 1 RS | Radiopharmaceutical Sciences Group, 2 RPS | Radiation Protection and Safety Group, 3 GREI | Radiation, Elements and Isotopes Group

The biological and molecular consequences of exposure to low doses of ionizing radiation (IR) remain unclear. With the increasing use of high-precision techniques for radiation therapy, there has been also an increased requirement for imaging techniques to assist in treatment planning and verification. Although the dose from these procedures is considered low, the concomitant dose administered to the patient has been raised as a potential concern, because of an increase in stochastic effects to the anatomic region subjected to the imaging dose. Additionally, the uncertainty of biological consequences, at low doses, on the effective repair rate of irradiated blood cells offers a potential concern. The search for new diagnostic and therapeutic tools is urgent, with particular interest in radiopharmaceuticals, which can be used simultaneously for diagnosis and targeted therapy (theranostics). In this context, obtaining tumour-specific molecular information and assessing the biological effects of exposure to ionizing radiation in clinically relevant cellular models is essential. In this context, at C2TN, the ongoing research focus on the: i) Assessment of the biological effects induced by low doses of IR, in non-tumoral breast cells, using cytogenetic assays of early and late cellular damage quantification; ii) Detection of induced and persistent damage in irradiated blood cells, using different doses and dose-rates of 60Co, determining the dependency between dose and surviving cells; iii) Assessment of relative biological effectiveness (RBE) after exposure to protons and alpha-radiation on cancer cells; iv) Validation of disease and radiation-specific biomarkers; v) Radiobiological assessment of novel radiolabelled compounds to evaluate their potential for cancer theranostics. These results contribute to ensure healthy lives and promote well-being for all at all ages (SDG-3), more specifically: i) to quantify the risks associated to low dose exposure and ii) to improve the knowledge of targeted radiopharmaceuticals for imaging and theranostic applications.

Collaborations: CQE |Centro de Química Estrutural, Instituto Superior Técnico, Lisboa, Portugal HZM | Helmholtz Zentrum Munique, Munich, Germany IAEA | International Atomic Energy Agency ICNAS | Instituto de Ciências Nucleares Aplicadas à Saúde, Coimbra, Portugal NMS | Nova Medical School PTB | Physikalisch-Technische Bundesanstalt

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

WHO | World Health Organization International platforms and networks (MELODI, RENEB, BioDoseNet) “Alexandru Ioan Cuza” University of Iași (Romania)

Funding: FCT (Projects ID/Multi/04349/2013 and EXCL/QEQ-MED/0233/2012; Grants SFRH/BPD/80758/2011 and SFRH/BPD/112654/2015)

Keywords: Cancer; Exposure Biomarkers; Low-dose biological effects; Radiobiology; Theranostics

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

P10 | Emergency Preparedness And Response In Case Of A Nuclear Or Radiological Accident In Europe

Thematic Strands: Earth Systems, Radioactivity and Cultural Heritage Radiopharmaceutical Sciences and Health Physics

C2TN members: Octávia Monteiro Gil*, Mário Reis, Isabel Paiva, Maria José Madruga, Ana Catarina Antunes (IST-ID fellowship), Pedro Teles (IST-ID contract), Pedro Vaz Students: Mariana Baptista (PhD) *Email of corresponding author: [email protected]

Research group: RPS | Radiation Protection and Safety Group

The risk of a large-scale radiological event has markedly increased, not only due to possible accidents in nuclear facilities but also as a result of the threat of terrorist attacks against key facilities or civil targets in major cities. Radiation accidents occur under several different potential circumstances that may affect the environment and people. The nature, extent and intensity of the exposure strongly influence subsequent medical treatment and the early and late countermeasures to be taken during emergency and transition phases of an accident. Members of the Radiological Protection and Safety Group works in the area of dose assessment (total body and thyroid), Monte Carlo simulations, environmental contamination and countermeasures strategies, decision making support and risk communication. Members of the Radiological Protection and Safety Group are involved in several EU projects under FP7 and HORIZON 2020, (RENEB, CAThyMARA, PREPARE, CONFIDENCE) and in the framework of PT2020, UPCAST, related to nuclear and radiological emergencies. The social impact is high as it allows: i) to study and estimate Public Health, radioactive contamination of foodstuffs, feedstuffs and other consumer goods ii) to raise the awareness of public and decision makers about the importance of allocating adequate resources to manage accidental situations involving ionizing radiation exposure iii) to provide decision makers and competent authorities with tools to cope with such situations and iv) to develop the adequate strategies for risk communication. Future activities: i) improvement of stakeholders engagement in the preparedness and response in the transition phase; ii) to identify and reduce the uncertainties in the management of the long-term exposure situation; iii) to identify social and ethical issues related to uncertainty management in emergency and post-accident situation; iv) improve communication of uncertainty and reinforce the decision making process; v) development of new tools to efficiently protect the public and first responders; vi) education and training.

Funding: EU (FP7, Horizon2020), Lisboa 2020, PT2020

Keywords: Emergency, Environmental contamination, Biological dosimetry, Uncertainties, Public awareness

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

P11 | Radioactive Waste: Research, Education And Training, Public Perception And Societal Acceptance

Thematic Strand: Earth Systems, Radioactivity and Cultural Heritage

C2TN members: Isabel Paiva1,*, Mário Reis1, Maria José Madruga1, Eva Andrade1, M. Fátima Araújo2, M. Isabel Dias3, M. Isabel Prudêncio3, Rosa Marques3, Joaquim Marçalo4, João Carlos Waerenborgh5, Bruno J. C. Vieira5 (C2TN contract), João Paulo Leal4, Marta Santos1, Pedro Valério2, Leonor Maria4 (IST-ID contract), Bernardo Monteiro4 (IST-ID contract), José M. Carretas4, Dulce Russo3, Guilherme Cardoso3, Catarina Galinha2, José Manuel Bénitez1,3, Fernanda Margaça2, Pedro Vaz1 *Email of corresponding author: [email protected]

EU Member States acknowledge their responsibility to manage and dispose of radwaste generated in their territory and to proceed implementation of further research, in line with Council Directive 2009/71/EURATOM and IAEA recommendations. Radwaste produced in Portugal is associated to health, industry, teaching, R&D activities and with the future decommissioning of the Portuguese Research Reactor. Members of the Radiological Protection and Safety Group (GPSR), with other C2TN Groups and national/international institutions, have been involved in several R&D projects: EURATOM framework, FCT, ERAMIN and IAEA RER, KADRWaste, ACSEPT, CMET, EAGLE, PETRUS I, II and III, ENVIREE. The involvement of Portugal in this area of research is of great societal impact towards improving public perception and societal acceptance of the need to find solutions to better manage radwaste to reducing the burden on future generations. GPSR R&D has been focusing on: Studying innovative solutions for radwaste treatment including recovery of by-products with economical interest (ex.: Rare Earths); Exchanging of experiences with other Countries; Maintaining and improving the knowledge, skills and competences of future generations of researchers, producers, operators and regulators; Contribute for the establishment of a safe culture in the management of radioactive wastes; Engaging other stakeholders in the decision- making process. GPSR E&T has been focused on: IST Master Course MPSR; PETRUS MSc and PhD international programs; Stakeholders communication. GPSR representation on behalf of IST: IGD-TP, a waste technology platform that promotes research on all types of radwastes, from nuclear to non-nuclear countries; Art. 37º/EURATOM, IAEA and OSPAR Convention. Future activities:

- GPSR is present in the 1st project (EURAD) submitted to the EC under EJP platform on Radwaste and Knowledge Management, September 2018; - Identification/characterization of geomaterials suitable for radwaste management, treatment and disposal; Radionuclide sorption / desorption potential (GPSR & ETN Groups); - Modelling safety case for radwaste repositories by COMSOL Multiphysics;

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

- Strengthening PETRUS PhD and ECVET methodologies; - Linking master MPSR to the IAEA radwaste learning project; - Fostering involvement with experts in communication through social and humanities platforms (Platenso, Ricomet) for increasing transparency and trust.

Funding: EURATOM, FCT, IGD-TP, ENEN, IAEA, ERA-Call.

Keywords: Radioactive wastes management, Storage, near-surface and long-term safety disposal, Risk communication, Societal implications, Education and training.

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

P12 | Uses Of A Nuclear Microprobe Setup (Cultural Heritage Meets Functional Materials)

Thematic Strand: Earth Systems, Radioactivity and Cultural Heritage

C2TN members: Luís Alves*, Maria Fátima Araújo, Pedro Valério, António Monge Soares Students: Rui Borges (PhD) *Email of corresponding author: [email protected]

Research group REI | Radiation, Elements and Isotopes Group

Ion beam technology has been widely used both for the characterization (through a plethora of ion beam analytical techniques) or modification (ion implantation, microbeam machining) of materials, with important applications in the fields of material science and cultural heritage. A Scanning Nuclear Microprobe adds micrometer spatial resolution and imaging capabilities and was here used to study samples with: sub-millimeter dimensions; lateral and/or in-depth heterogeneities; large cultural heritage materials analysis with external microbeam setup. Under the leadership of FCT an extended work has been carried out on historical glasses, stained glasses and enamels aiming to path the way from raw materials to glassware, luxury objects or artistic expression, always questioning their provenance that including the existence of local glass production centres. Determination of joining techniques and brazing alloys composition was performed in gold samples from the National Museum of Archaeology covering a period from the Late Bronze Age to Roman times. Results obtained allowed to propose the used joining techniques as well as establish late goldsmith interventions. A correlation between composition and chronology of 16th to the 17th silver coins was found, clearly identifying the introduction in Europe of silver originating from the Americas. The database obtained allows comparison with coeval Portuguese silver jewellery. Study of advanced materials has also been a goal for the ion beam microprobe as is the case of the characterization of Schottky-barriers formed in Ga2O3, a wide band-gap semiconductor with high potential for optic and electronic applications. The goal of the studies on cultural heritage has been to contribute to the knowledge of ancient production techniques, together with the raw materials used and their provenance then providing essential information not only to scholars but also to conservators and museum curators for enriching the information possible to be provided to the general public in museum collections.

Collaborations: 1 Victoria Corregidor, Marco Peres, IPFN, Instituto de Plasmas e Fusão Nuclear, IST Univ. de Lisboa, Lisboa, Portugal 2 Márcia Vilarigues, Inês Coutinho, VICARTE, Vidro e Cerâmica para as Artes, FCT/UNL, Campus de Caparica, Caparica, Portugal 3 Alexandra Barreiros, LNEG, Laboratório Nacional de Energia e Geologia, Lisboa, Portugal 4 Katharina Lorenz, INESC, Instituto de Engenharia de Sistemas e Computadores, Lisboa, Portugal 5 Rui Silva, CENIMAT, Centro de Investigação de Materiais, FCT/UNL, Campus de Caparica, Caparica, Portugal 6 Filomena Guerra, CNRS, Centre National de Recherche Scientifique, UMR 8096 CNRS ArchAm, Nanterre, France

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

7 Isabel Tissot, Archeofactu, Arqueologia e Arte, Alfragide, Portugal 8 MNAA, Museu Nacional de Arte Antiga, Lisboa, Portugal 9 MNA, Museu Nacional de Arqueologia, Lisboa, Portugal

Funding: (FCT UID/Multi/04349/2013; FCT UID/EAT/00729/2013; FCT PTDC/EPH-PAT/3579/2012; IAEA CRP F11021)

Keywords: glass material analysis, ancient joining techniques, nuclear microprobe, Ga2O3, silver coins.

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

P13 | Production And Use Of Metal In SW Iberian Peninsula From The Chalcolithic To The Roman Empire

Thematic Strand: Earth Systems, Radioactivity and Cultural Heritage

C2TN members: P. Valério, A.M.M. Soares, L.C. Alves, M.F. Araújo* Students: S.S. Gomes (PhD student), F. Lopes (PhD student), F. Pereira (PhD student) *Email of corresponding author: [email protected]

Research group: REI | Radiation, Elements and Isotopes Group

The archaeometallurgical research concerns the different metals and alloys used in ancient times (copper, bronze, brass, gunmetal, silver, gold and lead) and comprises a large time span ranging from the 3rd millennium BC to the 4th century AD. The investigation is focused on the distinct metallurgical steps required to convert a metallic ore into an artefact valued as a tool, weapon or ornament. Hence, the chronological and cultural features of archaeological materials are crossed with elemental, isotopic and microstructural data obtained by an array of analytical techniques (ICP-MS, Raman, micro-EDXRF, micro-PIXE, SEM-EDS, optical microscopy and Vickers hardness testing), which are selected according to the type of material, e.g. ore, slag, prill, crucible, tuyere, mould, ingot or artefact (Figure 1).

Figure 1. The array of analytical techniques applied by the REI group in the characterisation of the different types of metallurgical materials and some of the thematic issues addressed in the archaeometallurgy field. The main outcomes concern distinct cultural or chronological phases such as the Bell Beaker Culture (c. 2650-1800 BC), the beginning of the Bronze Age, the Orientalizing period (c. 800-400 BC) and the Roman civilization from 100 BC to 400 AD. The research has identified an association between Bell Beaker archaeological sites and copper-based artefacts richer in arsenic, probably due to the prestige of the silvery colour of high-arsenical copper alloys. Moreover, the introduction of bronze in southwestern Iberian Peninsula, in addition to the oldest lead artefact in the Iberian Peninsula, were attributed to the 2nd quarter of the 2nd millennium BC. Concerning the Orientalizing period, the studies have been identifying a diversification of copper-based alloys (copper, binary bronze and leaded bronze), together with innovative techniques in the manufacture and decoration of gold jewellery such as brazing and filigree. During the Roman Time, the copper-based metallurgy comprises a

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

diversity of alloys without standardised compositions (copper, leaded copper, leaded bronze, gunmetal and leaded brass), while the recycling becomes quite common in the Empire, suggesting a technology strongly influenced by economic concerns. In addition, the Iberian Pyrite Belt (argentiferous jarosite ores) and Sierra Morena and Ossa Morena Zone (galena ores) were identified as probable sources to the lead production in important urban centres such as Conimbriga, Augusta Emerita and Mirobriga.

Collaborations: 1 DCR/FCT | Departamento de Conservação e Restauro, Faculdade de Ciências e Tecnologia, Universidade Nova de Lisboa, Caparica, Portugal 2 CENIMAT/i3N | Centro de Investigação em Materiais, Faculdade de Ciências e Tecnologia, Universidade Nova de Lisboa, Caparica, Portugal 3 CEAACP | Centro de Estudos de Arqueologia, Artes e Ciências do Património, Universidade de Coimbra, Portugal 3 MMC | Museu Monográfico de Conimbriga, Portugal 4 MDDS | Museu de Arqueologia D. Diogo de Sousa, Portugal 5 Museu Municipal de Santiago do Cacém, Portugal 6 CEAX | Centro de Estudos Arqueológicos de V. Franca de Xira, Portugal 7 Consorcio Ciudad Monumental de Mérida, Spain 8 MAR | Museo Nacional de Arte Romano, Spain 9 Museo Arqueológico Municipal Aroche, Spain 10 Museo Minero de Riotinto, Spain

Funding: FCT/UID/Multi/04349/2013 (C2TN) POCI-01-0145-FEDER-007688, Reference UID/CTM/50025 (CENIMAT/i3N)

Keywords: Archaeometallurgy, Provenance, Alloy composition, Manufacture, Joining techniques

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

P14 | Applications Of Ionizing Radiation: Why And What For?

Thematic Strands: Earth Systems, Radioactivity and Cultural Heritage Radiopharmaceutical Sciences and Health Physics

C2TN members: Sandra Cabo Verde* (Post-Doc), Pedro Santos (Post-Doc), António N. Falcão, Fernanda M.A. Margaça Students: Joana Madureira (PhD), Maria Inês Elias (MSc), Joana Roque (MSc), Catarina Palma (MSc), Andreia Severino (MSc) *Email of corresponding author: [email protected]

Research group: REI | Radiation, Elements and Isotopes Group

Ionizing radiation (gamma sources and electron-beam accelerators) is a clean and environmental friendly technology with the potential to solve most intrinsic problems of conventional methSDG and an alternative for some of the chemical treatments. In the last years, our R&D was focused on the development of radiation technologies for different applications. Food irradiation is a recognized technology to improve the safety and preserve the quality of food products. The carried out studies in FOOD IRRADIATION intends to evaluate the feasibility of this process to treat food products with national impact, namely to extend shelf-life of fresh fruits (cherry tomatoes, sweet cherries, blackberries and raspberries), mushrooms and chestnuts, and to optimize microbial decontamination treatments for aromatic and medicinal plants. The outcome of these studies contribute to prevent foodborne outbreaks and improve food quality promoting the good health and well-being (SDG 3). Also related to public health protection is the establishment of STERILIZATION processes by ionizing radiation for industrial products, including pharmaceutical and medical devices, that is being performed as an add-value service for the industrial sector. Comprehensive studies were done to assess the use of ionizing radiation to improve water safety and quality by CHEMICAL AND BIOHAZARD POLLUTANTS DEGRADATION (SDG 6). The degradation of recalcitrant compounds together with the possible reuse of valuable radiolytic by-products in other industries is a promising key contributor for the sustainability of life on earth (SDG 12). Regarding biohazard pollutants, research has been conducted to understand the mechanistic patterns of human enteric VIRUS INACTIVATION by ionizing radiation to develop efficient mitigation strategies for waterborne pathogens. Another recent application has been focused on the olive oil industrial WASTE VALORIZATION due to its content in valuable bioactive compounds. The extractability of the main phenolic compounds of olive pomace increased considerably after ionizing radiation treatment and this could outcome on their incorporation as preservation ingredients in bakery products, upgrading in this way the technological capabilities of industrial sectors to make them sustainable with increased resource-use efficiency (SDG 9).

Collaborations: L. Barros, I. C.F.R. Ferreira, A. L. António, CIMO | Centro de Investigação de Montanha, IPB, Bragança, Portugal C. Santos-Buelga, GIP | Grupo de Investigación en Polifenoles, USAL, Salamanca, Spain M. M. Carolino, DEV | Departamento de Biologia Vegetal, FCUL, Lisboa, Portugal

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

Funding: FCT, ARIAS - Application of Ionizing Radiation for a Sustainable Environment. RECI/AAG-TEC/0400/2012. FCT, VRAD - Inactivation patterns of enteric virus by ionizing radiation. EXPL/DTP-SAP/2338/2013. PRODER, PA 53515, AROMAP – Processamento de plantas aromáticas condimentares. IAEA, International Research Coordinated Project F23033 - Tracking Enteric Virus Inactivation by E-beam Irradiation. IAEA, International Research Coordinated Project D61024 contract no. 19220 - Fostering e-beam food irradiation: Modelling and Validation. IAEA, International Research Coordinated Project Contract No. 16513 - Application of Ionizing Radiation on the Cork Wastewater Treatment.

Keywords: Ionizing radiation, Food irradiation, Wastes valorization, Virucidal action, Sterilization

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

P15 | Climatic Changes: Isotopic Fingerprints In Aquifers And Marine

Mollusk Shells

Thematic Strand: Earth Systems, Radioactivity and Cultural Heritage

C2TN members: Paula M. Carreira*, Dina Nunes, Maria Fátima Araújo, António Monge Soares Students: Paulo J.C. Portela (MSc) *Email of corresponding author: [email protected]

Research group: REI | Radiation, Elements and Isotopes Group

Environmental isotopes content is affected by climatic processes and its quantification may give access to information that has been recorded since thousands of years ago, in groundwater systems and in mollusk shells.

18 13 18 13 The δ O and the δ C of inorganically precipitated CaCO3 are a function of the δ O and the δ C of the water in which the CaCO3 is precipitated and also of the salinity, temperature and phase mineral 18 (calcite and aragonite). The δ O of biogenic CaCO3 has been extensively used to estimate past seawater temperatures while the depletion in 12C recorded in marine surface water of some regions is an excellent proxy of coastal upwelling. The carbonate of foraminifera, fish otoliths and marine shells has been significantly used in studies concerning palaeoenvironments. Also, speleothems have been extensively used to reconstruct palaeorainfall, palaeotemperatures and palaeovegetagion based on stable isotope variations. Under this scenario groundwater isotopic signatures (δ18O and δ2H) is also an archive of past climates since it will reflect the air temperature when precipitation and aquifers recharge occurred since it can be compared with modern regional precipitation isotopic composition. Past climate can be reconstructed using a combination of different types of proxy records. These records can then be integrated with observations of Earth's modern climate and placed into a model to infer past as well as predict future climate. Palaeoenvironmental reconstructions are a unique tool that leads to a better understanding of imminent climate changes, making it possible to outline strategies that allow to anticipate and mitigate them, in the medium and long term, as stated in 6th, 13th and 15th UN Sustainable Development Goals. Ongoing projects focus their studies in Figueira Brava’s Cave, where a Neanderthal occupation left an important record (mollusk shell midden) and in the Lower Sado Miocene aquifer where environmental stable and radioactive isotopes were used in the determination of the origins of groundwater salinization.

Collaborations: 1 Igor Gutièrrez-Zugasti | IIIPC, Cantabria University, Santander, Spain 2 João Zilhão | ICREA, Barcelona University, Barcelona, Spain 3 Pedro Callapez | CITEUC, Coimbra University, Coimbra, Portugal 4 José Manuel Marques | CERENA – Instituto Superior Técnico, Lisboa, Portugal 5 Mohamed Bahir | Ecole Normale Supérieure, Cadi Ayyad University, Marrakesh, Morocco 6 Mariana Nabais | Institute of Archaeology, University College London, England

Funding: The authors acknowledge the FCT funding under the project UID/Multi/04349/2013. Paulo J.C. Portela acknowledges the FCT funding under the project PTDC/EPH-ARQ/6485/2014.

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

Keywords: climatic change, palaeoenvironmental reconstructions, environmental isotopes, marine mollusk shells, groundwater systems.

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

P16 | Polymeric Materials Obtained By -Radiation For Skin Scaffolds And For Roman Mosaic Preservation

Thematic Strands: Advanced Materials Earth Systems, Radioactivity and Cultural Heritage

C2TN members: M.H. Casimiro1,* (IST-ID contract), P.M.P. Santos1 (C2TN fellowship), A.N. Falcão1, L.C. Alves1, F.M.A. Margaça1, J.P. Leal2, L.M. Ferreira1,* Students: A.P. Rodrigues (PhD); Others: G. Rodrigues (FCUL), D. Casal (NOVA Medical School) *Email of corresponding author: [email protected], [email protected]

Research groups: 1 REI | Radiation, Elements and Isotopes Group, 2 QEf | f-element Chemistry Group

Polymeric based materials are being successfully prepared/functionalized by ionizing radiation processing techniques targeting an increasing number of specific applications in different areas. In particular, the work here reported aims to overcome two distinct problems: one associated with the difficulty in skin regeneration treatments in patients needing dermal grafts normally resulting from burned injuries; and the other concerning the preservation of Roman mosaics from Conimbriga ruins, an important legacy of Roman civilization classified as national cultural heritage and the most important Portuguese archaeological site. The present work is part of two Coordinated Research Project from International Atomic Energy Agency (IAEA) and meets the Sustainable Development Goals G.3 and G.11 of 2030 Agenda, namely good health and well-being, and sustainable cities and communities. We have been particularly focused in two reactional systems: 1. Chitosan based copolymeric biocompatible and biodegradable matrices to be used as skin scaffolds for tissue regeneration processes and, 2. PDMS-Silica ormosils (organically modified silicates) hybrid materials for the consolidation of ancient Roman mosaics (additive with biocide activity for the composite materials used in ancient mosaics panels conservation processes). (A) (B)

Figure 1. (A) Chitosan-based skin scaffold and (B) PDMS-TEOS-ZrPO hybrid material obtained by -irradiation. By different ways, both issues within addressed present high scientific and societal relevance since if the one can improve the outcome of medical treatment and life quality of patients, and decrease the need for (sterilized) human donor material in the future, an important and sensitive issue in our society, the other will allow the preservation of Roman civilization testimonies to the future generations. Up to the moment particular attention has been given to the correlation between the different preparation conditions and the polymeric materials’ properties. Results show that prepared materials are very promising to be used in each specific application on demand.

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

Collaborations: 1 FCUL | Faculdade de Ciências, Universidade de Lisboa, Lisbon, Portugal 2 NOVA Medical School | Faculdade de Ciências Médicas, Universidade Nova de Lisboa, Lisbon, Portugal 3 FCTUNL | Faculdade de Ciências e Tecnologia, Universidade Nova de Lisboa, Caparica, Portugal 4 MMC-MN | Museu Monográfico de Conínbriga – Museu Nacional, Coimbra, Portugal 5 IPT | Instituto Politécnico de Tomar, Tomar, Portugal

Keywords: Ionizing radiation, Chitosan, Skin regeneration, PDMS-based hybrid materials, Cultural Heritage

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

P17 | Development Of Tools To Tackle Air Pollution, Climate Change And Burden Of Disease In Urban Systems

Thematic Strand: Earth Systems, Radioactivity and Cultural Heritage

C2TN members: Susana Marta Almeida2,*, Joana Lage2 (IST Post-Doc fellowship), Vânia Martins2 (IST Post-Doc fellowship), Nuno Canha2 (IST-ID contract), Joana Coutinho2 (IST Post-Doc fellowship), Catarina Galinha1,2 (C2TN Post-Doc fellowship), Marina Almeida-Silva2 Students: Tiago Faria (PhD), Vitor Manteigas (PhD), Carolina Correia (MSc), Inês Cunha-Lopes (MSc), Catarina Nunes (BSc) *Email of corresponding author: [email protected]

Research groups: 1 REI | Radiation, Elements and Isotopes Group, 2 NET | Nuclear Engineering and Techniques Group

Substantial proportion of the European Union’s population remains exposed to high levels of air pollutants. There is a great deal of improvement with respect to emission control strategies in European urban areas. However, air quality is still a major problem regarding its detrimental impact on human health. In the EU-28 and in 2014, the premature deaths attributed to PM2.5, NO2 and O3 exposure were 399.000, 75.000, and 13.600, respectively. The development of innovative and versatile tools that establish a relation between population exposure to air pollutants, emission sources and health effects and that identify measures to improve the air quality is an effort materialized through the projects LIFE Index-Air (www.lifeindexair.net), ClimACT (www.climact.net), REMEDIO (https://remedio.interreg-med.eu) and ExpoLIS. LIFE Index-Air assessed the exposure of children to particles chemical species by sampling airborne particle in 40 homes, 5 schools, 5 transport means and respective outdoors. The sampled particles were measured by XRF for chemical characterization. The generated data is being used to develop and validate the LIFE Index-Air decision support tool. In the scope of ClimACT educational, financial and decision support tools were developed and implemented to improve the environment and energy performance of 39 schools from Portugal, Spain, Gibraltar and France. Within Remedio, C2TN, together with Loures Municipality, installed an air quality monitoring station in Moscavide to evaluate the environmental impact of a street requalification. Results showed a reduction of 16% of the vehicles and 7% of PM10 and PM2.5. ExpoLis aims to develop an air quality exposure sensing system, composed by a network of sensor nodes, and deploy it on public transportation to obtain the real-time air pollution distribution in urban areas. This study answers to the following sustainable development goals: 1) Good health and well-being; 2) sustainable cities and communities; and 3) climate action.

Collaborations: 1 Instituto da Soldadura e da Qualidade (ISQ), Lisbon, Portugal 2 EDIGREEN| EDIGREEN- Soluções energéticas, Lda. , Porto, Portugal 3 ABAE | Associação Bandeira Azul da Europa, Lisbon, Portugal 4 CIEMAT| Centro de Investigaciones Energéticas Medioambientales y Tecnológicas, Madrid, Spain 5 USE| Universidad de Sevilla, Sevilla, Spain

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

6 ULR|Université de La Rochelle, La Rochelle, France 7 VLR| Ville de La Rochelle, La Rochelle, France 8 UniGIB | University of Gibraltar, Gibraltar 9 ARPA | ARPA Veneto – Regional Agency for Environment Protection in Veneto Region, Veneto, Italy 10 Municipality of Treviso, Veneto, Italy 11 AUTH| Aristotle University of Thessaloniki, Thessaloniki, Greece 12 MDAoTHESNIKI SA| Metropolitan Development Agency Of Thessaloniki S.A., Thessaloniki, Greece 13 SPLIT| City of Split, Split, Croacia 14 CML| Municipality of Loures, Loures, Portugal 15 CESAM-UA | Centro de Estudos do Ambiente e do Mar da Universidade de Aveiro, Aveiro, Portugal 16 NCSR-D | National Center of Scientific Research “Demokritos”, Athens, Greece 17 THL | National Institute for Health and Weldfare, Helsinki, Finland 18 TUC | Technical University of Crete, Chania, Greece

Funding: European Union through the project LIFE Index-Air LIFE15 ENV/PT/000674 European Regional Development Fund (ERDF) through the Interreg Med project REMEDIO (Ref. 862) European Regional Development Fund (ERDF) through the Interreg Sudoe project ClimACT (SOE1/P3/P0429) Fundação para a Ciência e Tecnologia for support the project UID/Multi/04349/2013, IF/01078/2013, and LISBOA-01-0145-FEDER-032088

Keywords: Air Quality, Aerosol, Source Apportionment, Climate Change, Decision Support Tools

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

P18 | Radioactive Local Probe Techniques At The ISOLDE CTN Experimental Infrastructure, 2018 Achievements

Thematic Strand: Advanced Materials

C2TN members: João Correia*, Ulrich Wahl Students: Eric Bosne (PhD), Abel Fenta (PhD), Marcelo Barbosa (PhD), Carlos Amorim (PhD), *Email of corresponding author: [email protected]

Research group: NET | Nuclear Engineering and Techniques Group

Highlights on: a) New Lattice site location experiments a. 11Be in GaN where Be is a potential p-type dopant (optoelectronics). 56 b. Mn: Ge1-xMnxTe identifying and characterizing the lattice displacement of Mn for different Mn doping concentrations. GMT is a multiferroic material at room temperature envisaged for Spintronics where the coupling of the magnetic moment and electric polarization depend on the Mn displacement that we probe. c. 61Co in diamond for quantum information storage. b) New Perturbed Angular Correlation experiments 111m a. Cd/Cd: Ca3Mn2O7 and Ca2MnO4 Naturally Layered Multiferroic Perovskites, observing and characterising new microscopic phase transitions. 199m 111m b. Hg/Hg and Cd/Cd di-halide experiments performed in the gas phase HgX2, CdX2 where X = I, Br, Cl. These unique measurements allow determining the quadrupole moment of the 245keV 5/2 state of 111Cd with unprecedent 2% precision on a state that is used to calibrate nuclear moments on the Cd isotopes series and isomeric states, and is used in inumeras PAC hyperfine interactions experiments in material’s science. c) R&D and perspectives a. Draft of EC and PAC R&D on future on-line experiments as well as on laboratory upgrades and offline experiments running during the next shutdown accelerator period. Impact: A unique Portuguese national – inter-institutional and international collaboration. Applications of radioactive nuclear techniques to nanoscopic research in material science. Synergy between nuclear physicists and material’s scientists using unique nuclear techniques.

Collaborations: International CERN-ISOLDE radioactive ion beam laboratory, IKS-KULeuven, Belgian, University Kwazulu-Natal, South Africa, Department of Chemistry, University of Copenhagen, Denmark ILL- Grenoble, France, Talca University, Chile, IPEN, São Paulo, Brazil, Graphene Research Center, National University of Singapore, Western Michigan University, USA.

National CICECO, University of Aveiro, IFIMUP, University of Porto, CQ-UTAD, Universiy of Trás-os-Montes e Alto Douro,Vila-Real, LIP- Laboratory of Instrumentation and Experimental Particles Physics, Lisbon.

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

Funding: CERN projects, FCT Portugal, ENSAR2 Horizon 2020 Framework, Foreign National Projects

Keywords: Nuclear Radioactive Local Techniques, New Materials, New Properties

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

P19 | Superheated Liquid Detectors For Science And Society

Thematic Strands: Advanced Materials Radiopharmaceutical Sciences and Health Physics

C2TN members: Andreas Kling2, José Antunes2, José Marques2, Thomas Girard2, Ana Fernandes2,* (FCT Investigator), Miguel Felizardo2 (IST contract), Tomoko Morlat1,2 (C2TN contract) Students: Filipe Soares (MSc), Marta Reis (MSc) *Email of corresponding author: [email protected]

Research groups: 1 RPS | Radiation Protection and Safety Group, 2 NET | Nuclear Engineering and Techniques Group

Our team fabricates and develops radiation detectors based on superheated liquids, namely droplet detectors and bubble chambers. These devices can be rendered insensitive to minimum ionising particles yielding an excellent tool for the detection of neutrons, alpha particles and heavy ions at low intensity levels. The research activity demand-oriented, and is currently focussed on (i) intrinsic soft error rate assessment in electronic devices using ultra-low activity materials for high reliability applications; (ii) detection of alpha-emitting contaminants in liquids for emergency response; (iii) experimental characterisation of neutron environments in massively shielded facilities and for low dose experiments. In the near future, we envisage to develop novel methods for (a) the early identification of seismic activity; (b) the detection of solar flares at underground facilities and (c) the active measurement of galactic radiation fields to be encountered in manned space travel, for which existing data have gaps in energy and ion type. The connection of the current and foreseen work with the areas of technology industry and citizen safety convey a relevant societal impact to our activity, that also addresses the Sustainable Development Goals 3 (Good health and well-being) and 9 (Industry, innovation and infrastructure) set by the United Nations.

Collaborations: 1 LSBB | Laboratoire Souterrain a Bas Bruit, Rustrel, France 2 Xilinx Inc. | technology company, San Jose CA, USA

Funding: FCT

Keywords: detector, alpha, neutron, ultralow intensity

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

P20 | Geochemistry Of Surficial Environments Of Oceanic Volcanic Islands In Arid And Semi-Arid Climates – A Contribution To Regional

Development Planning

Thematic Strand: Earth Systems, Radioactivity and Cultural Heritage

C2TN members: Rosa Marques1,*, Maria Isabel Prudêncio1, João Carlos Waerenborgh2, Bruno José Cardoso Vieira2 (C2TN contract), Maria Isabel Dias1, Dulce Russo1, Guilherme Cardoso1 *Email of corresponding author: [email protected]

Research groups: 1 NET | Nuclear Engineering and Techniques Group, 2 ES | Solid State Group

The geochemical characterization of surficial environments is of extreme importance, especially when the topsoils are used for agriculture. These studies are of particularly interest in oceanic volcanic islands where soils are a crucial resource for local economy. Environmental monitoring studies are essential for the establishment of guidelines for preservation of the environment and for the identification of potential focus of pollution/contamination of superficial topsoil layers. A detailed research activity is being performed in Cape Verde archipelago with the main goal of constructing an environmental atlas of Cape Verde, in collaboration with other national and international institutions, including the Cape Verde University. Fieldwork, sampling and analyses have been performed in four islands - Santiago, Fogo, Brava and Sal. Georeferenced volcanic topsoil samples have been collected in these islands aiming a low sampling-density survey of the geochemistry of topsoils of the islands, according to the guidelines of the IGCP Project 259 International Geochemical Mapping. Nuclear methods, namely instrumental neutron activation analysis (INAA) and Mössbauer spectroscopy allowed to obtain chemical and crystalchemistry parameters of volcanic soils with good precision and accuracy. This research activity is of huge relevance contributing with (a) the establishment of mean values for volcanic soils worldwide and (b) chemical DATA of topsoils from Cape Verde for the establishment of the Geochemical Atlas. The evaluation of the chemical elements mobility, availability and accumulation in soils, particularly in the fine particles where Fe nano-sized oxides exist, accumulation and translocation in plants, and micropaleontology studies for the identification of biological activity under an arid to semi-arid climate are also performed. All these studies have a significant socioeconomic impact, since these volcanic soils are used for agriculture, needing a detailed investigation for the mitigation of environmental and health issues.

Collaborations: Fernando Rocha1,2, Eduardo Ferreira da Silva1,2, Marina Cabral Pinto3, Maria Manuela Abreu4, Teresa Silva5, Francisco Ruiz6, Manuel Abad7 1 UA | Universidade de Averio, Dep. Geociências, Aveiro, Portugal 2 GeoBioTec | GeoBioSciences, GeoTechnologies and GeoEngineering, Aveiro, Portugal 3 INIDA | Instituto Nacional de Investigação e Desenvolvimento Agrícola, Santiago, Cabo Verde 4 Unidade de Investigacão de Química Ambiental | Instituto Superior de Agronomia, Lisboa, Portugal 5 Unidade de Recursos Minerais e Geofísica |Laboratório Nacional de Energia e Geologia, Amadora, Portugal 6 Departamento de Ciencias de la Tierra | Universidad de Huelva, Huelva, Espanha 7 Departamento de Geologia|Universidade de Atacama, Copiapó, Chile

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

Funding: Research funded by Fundação para a Ciência e a Tecnologia (FCT, Portugal) through the projects UID/GEO/04035/2013 and UID/Multi/04349/2013 Support of Ministério da Educação de Cabo Verde (delegação Escolar do Fogo) and City Hall of Vila Nova Sintra (Brava).

Keywords: Volcanic soils, Geochemistry, Cape Verde, Geochemical Atlas, Nuclear techniques

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

P21 | Nuclear And Radiation-Based Methods As Tools To Cultural Heritage Safeguard

Thematic Strand: Earth Systems, Radioactivity and Cultural Heritage

C2TN members: Ana Luisa Rodrigues* (FCT Post-Doc), Maria Isabel Dias, Maria Isabel Prudêncio, Rosa Marques, Guilherme Cardoso, Dulce Russo *Email of corresponding author: [email protected]

Research group: NET | Nuclear Engineering and Techniques Group

The C2TN team has been applying nuclear and radiation-based methods for chemical and mineralogical characterization and absolute dating of cultural heritage. These techniques have been playing an important role for the study of cultural materials through precise and accurate analyses of archaeological and historical artefacts (e.g. ceramics, stone, mortars, biomaterials and geoarchaeological materials) which enable the establishment of provenance, technologies of production, chronologies and paleoenvironmental reconstruction of human occupation. In the most of times, the analyses were performed in a non-destructive or micro-invasive way, preserving the integrity of the studied artefacts. The research has been performed in collaboration with national and international research institutions, museums, private companies, etc. in the frame of national and European research projects, and services/contracts. The objectives and the achievements have as main focus the protection and safeguard of the world’s cultural heritage, contributing to more sustainable cities and communities (Sustainable Development Goal 11). It is envisage to develop innovative protocols for luminescence dating, namely an accurate determination of the dose rate in decontextualized cultural heritage assets, as well as, to increase and improve the compositional ancient artefacts database, implementing research strategies and networking for European cultural heritage safeguard.

Collaborations: Zs. Kasztovszky1, I. Harsányi1, I. Kovács2, Z. Szőkefalvi-Nagy2, Jorge Sanjurjo3, Carlos Odriozola4, Leonardo García Sanjuán4, Coronada Mora Molina4, Clodoaldo Roldan5, Aleix Eixea6, V. Villaverde6, A. C. Valera6,7, L. Oosterbeek8, Pedro Flor9, J. Mihaly10, György Káli11, Anísio Franco12, António Carvalho13, M. Antónia Pinto Matos14, Alicia Medialdea Utande15, Constantin Athanassas16, Nuria Rafel17, Ignacio Soriano18 1 Centre for Energy Research | Hungarian Academy of Sciences, Budapest, Hungary 2 Institute for Particle and Nuclear Physics | Hungarian Academy of Sciences, Budapest, Hungariy 3 University Institute of Geology | Univesity of Coruña, Coruña, Spain 4 Department of Prehistory and Archaeology| University of Seville, Seville, Spain 5 Instituto de Ciencia de los Materiales | University of Valencia, Valencia, Spain 6 Departamento de Prehistoria y Arqueologia | University of Valencia, Valencia, Spain 7 ERA Arqueologia | Núcleo de Investigação Arqueológica, Lisboa, Portugal 8 Instituto Politécnico de Tomar | Campus de Tomar, Tomar, Portugal 9 Inst. História Arte da Fac. Ciências Sociais e Humanas | Univ. Nova de Lisboa, Lisboa, Portugal 10 Research Centre for Natural Sciences, Hungarian Academy of Sciences. Budapest, Hungary 11 Institute for Solid State Physics and Optics, Wigner Research Centre for Physics, Hungarian Academy of Sciences, Budapest, Hungary. 12 Museu Nacional de Arte Antiga 13 Museu Nacional de Arqueologia 14 Museu Nacional do Azulejo 15 Servicio de Radioisotopos, CITIUS |Universidad de Sevilla, Seville, Spain

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

16 National Technical University of Athens |Athens, Greece 17 Department of History | University of Lleida, Lleida, Spain 18 Department of Prehistory | Autonomous University of Barcelona, Barcelona, Spain

Funding Fundação para a Ciência e a Tecnologia (FCT, Portugal) through the projects and fellowships: - UID/Multi/04349/2013 - PTDC/HIS-HEC/116742/2010 - ROBBIANA - The Della Robbia sculptures in Portugal: History, Art and Laboratory - PTDC/EPH-ARQ/0798/2014 - Mobility and interaction in South Portugal Recent Prehistory: the role of aggregation centers. - Post-Doctoral fellowship SFRH/BPD/114986/2016 IPERION CH Project H2020: - VISUAL - SANTA VITÓRIA - UTENSILS AND ORNAMENTS OF AN ENCLOSURE SITE. IPERION CH – FIXLAB PLATFORM B - NIPS-NORMA and the PGAA facilities of BNC, Budapest Neutron Centre, Wigner Research Centre for Physics HAS, Centre for Energy Research HAS (2018) - BRR-527. “Personal ornaments at chalcolithic funerary contexts of SW Iberian Peninsula: The Perdigoes site” (2017) - BRR- 484. “Interconnections: archaeological beads and trade in Perdigões during the 3rd millennium BC” (2016) Proyectos I+D do Plan Estatal 2013-2016 Excelencia (HAR2013-45149-P) - Naturaleza, Sociedad y Monumentalidad: Investigaciones Arqueológicas de Alta Resolución del Paisaje Megalítico de Antequera. Proyectos I+D do Plan Estatal 2014-2017 Excelencia (HAR2014-54012-P) - Mining-metallic resources, trade and commerce in the Prehistory and Protohistory of the Iberian Peninsula (Catalonia and the northern Valencian Country). Ministry of the Economy and Competitiveness.

Keywords: Cultural Heritage, Nuclear methods, Luminescence dating, Compositional studies, Provenancing

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

P22 | Rare Earth Recovery And Valorisation / Protection Of Environment

Thematic Strand: Earth Systems, Radioactivity and Cultural Heritage

C2TN members: José M. Carretas3,*, Adelaide Cruz3, Bernardo Monteiro3 (IST-ID Contract), Catarina Galinha2 (C2TN Post-doc), Isabel Paiva1, João P. Leal3, Joaquim Marçalo3, Leonor Maria3 (IST-ID Contract), M. Fátima Araújo2, Susana S. Gomes2 (C2TN Post-doc) Students: Beatriz Bento (Research Student) *Email of corresponding author: [email protected]

Research groups: 1 RPS | Radiation Protection and Safety Group, 2 REI | Radiation, Elements and Isotopes Group, 3 QEf | f-element Chemistry Group

Rare Earth Elements (REEs; lanthanides (Ln), scandium and yttrium) have become an important raw material in the industry, playing an essential role in modern electronic technologies, industrial and medical products and innovative environmental technologies. REEs are considered as being highly relevant for societal needs but there exists a significant risk of supply for actual demand. Therefore, the development of selective, efficient, economical and environmentally friendly separation processes of REEs from different materials is under intense development.(1) This research topic addresses one of the UN’s Sustainable Development Goals, specifically “Responsible consumption and production” and we expect to continue contribute to achieve the sustainable management and efficient use of natural resources. In our current work, ionic liquids (ILs) with only CHON elements in their composition, both already existent or newly synthesized, are being used for separation of REEs from other metals, as an alternative to more traditional methods.(2) Some of the ILs displayed a significant differentiation between lanthanides and are adequate to selectively extract Ln among them. In certain conditions an IL was able to separate Ln from other metals. Work is in progress for optimizing a selective extraction of REEs in the presence of other metals and an effective separation along the lanthanide series.

References: (1) “Recycling of rare earths: a critical review”, Binnemans K, Jones PT, Blanpain B, Gerven TV, Yang Y, Walton A, Buchert M (2013) J. Clean. Prod. 51 1-22; (2) “Separation and recovery of critical metal ions using ionic liquids”, Makanyire T, Sanchez-Segado S, Jha A (2016) Adv. Manuf. 4, 33–46.

Collaborations: 1 Filipe Figueiredo, José P. Sardinha, João C. Bordado | CERENA-IST, Lisboa, Portugal 2 M. Caetano et al | IPMA, Lisboa, Portugal 3 Interecycling | Tondela, Portugal

Funding: FCT projects ENVIREE (ERA-MIN/0002/2014), REEuse (PTDC/QEQ-EPR/1249/2014) and UID/Multi/04349/2013 PT2020 project RecValTR (03/SI/2017 – I&DT Empresarial project in co-promotion nº 33576) RNEM – Portuguese Mass Spectrometry Network, ref. LISBOA-01-0145-FEDER-022125, supported by FCT and the Lisboa Regional Operational Programme (Lisboa2020), under the PT2020 Partnership Agreement, through the European Regional Development Fund (ERDF)

Keywords: Rare Earth Elements, Ionic Liquids, Metal Extraction, Selective Separation, Mass Spectrometry

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

P23 | Catalysis (Nano Structures For CO2 Removal And Fuels Production)

Thematic Strands: Advanced Materials Earth Systems, Radioactivity and Cultural Heritage

C2TN members: Ana C. Ferreira1* (C2TN post doc), Joaquim Branco1, António Pereira Gonçalves2 Students: Pedro de Brito (MEC-Student) *Email of corresponding author: [email protected]

Research groups: 1 QEf | f-Element Chemistry Group, 2 ES | Solid State Group

The main goals of Laboratory of Catalysis covers: i) the production of value-added chemicals and fuels, such as hydrocarbons, methanol or syngas, using major gaseous pollutants (e.g. CO2, CH4, N2O) as raw materials; ii) the development, preparation and characterization of nanostructured intermetallic compounds containing the f- block elements (lanthanides, Th and U), bimetallic oxides, metal borides, pnictides and chalcogenides with specific

functionalities and applications in environment and energy. 2500 Cu12Sb4S13

2000 (a.u.) For catalytic studies, different heterogeneous systems using 1500 Intensity 1000 transition metals and f-block elements as massic or supported 500 0 20 30 40 50 60 70 80 2 Theta (degree) (SiO2 or Al2O3) catalysts were tested, either at atmospheric pressure or under high pressure conditions. On the other hand, pnictides (e.g. CoSb3) and chalcogenides (e.g. Cu3SbS4 and

Cu12Sb4S13) were prepared using unusual approaches, such as electrospinning and solvothermal method (Figures). This work has a strong societal impact since it contributes to the reduction/removal of major greenhouse gases, namely

CO2, contributing to alleviating global climate changes and 300

CoSb3

contributing to the development of more clean and efficient 225 (a.u.)

industrial processes, targeting the production of value-added 150 Intensity 75 products (e.g. CH4) that can be used as fuel or fuel 0 20 30 40 50 60 70 80 precursors. 2 Theta (degree) New objectives includes the development of new nanoporous/nanofoams f-block element based catalysts that can economical be competitive when compared to the present state of art used by the industry.

Collaborations: 1 Nuno Pinhão (IPFN/IST) | Non thermal plasma conversion of methane, Bobadela, Portugal 2 Ana Ferraria and Ana Rego (IST/UL) | Catalysts surface characterization by XPS, Lisbon, Portugal

Funding: FCT, UID/Multi/04349/2013, Ana C. Ferreira (postdoc grant)

Keywords: f-Block elements, Catalysis, Nanostrutures, Gaseous pollutants, Fuels

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

P24 | Non-Aqueous Uranium Coordination Chemistry: Uranium

Complexes Supported By Hydrobis(mercaptoimidazolyl)borates

Thematic Strands: Advanced Materials Earth Systems, Radioactivity and Cultural Heritage

C2TN members: Leonor Maria1,* (IST-ID Contract) Isabel C. Santos2, Adelaide Cruz1, Joaquim Marçalo1 *Email of corresponding author: [email protected]

Research groups: 1 QEf | f-element Chemistry Group, 2 ES | Solid State Group

The oxidation of a metal center is a well-suited reaction to study the influence of the supporting ligand on reactivity. Since trivalent uranium has a high reducing power, its complexes are extremely reactive with oxidizing substrates. Studies of U(III) redox chemistry have been reported using diverse U(III)-ligand systems leading to unprecedented transformations and structures, demonstrating the chemical potential and unique properties of uranium [1].

Hydrobis(mercaptoimidazolyl)borate ligands are mono-anionic soft chelates, analogues to the [N2]- donor hydrobis(pyrazolyl)borate ligands, that provide [S2]-donor ligands. Previous results obtained by Me - us demonstrated that the bis(mercaptoimidazolyl)borate ligands [H(R)B(tim )2] are able to stabilize 3 Me the cationic uranium(III) complexes [U{ -H,S,S’-H(R)B(tim )2}2(thf)3][BPh4] (R = H, Ph) [2]. Revisiting 3 our studies with these [S2]-donor chelators, we verified that the neutral U(III) complexes [U{ -H,S,S’- Me H(Ph)B(tim )2}2I(thf)2] can be used as an U(III) precursor in electron-transfer reactions to access new tetravalent and hexavalent uranium complexes supported by soft bis(azolyl)borate ligands (Fig. 1), including the first homoleptic 3- H,S,S’ -based f-element complexes [3].

III 3 Me Figure 1. Reactions of [U { -H,S,S’-H(Ph)B(tim )2}2I(thf)2] with oxidizing substrates. These studies have a fundamental nature and do not address UN’s Sustainable Development Goals directly. Nonetheless, we expect to continue participating in the progress of uranium chemistry and contribute to the understanding of the structure and bonding in actinide systems and, therefore, contribute to the resolution of “Environment” concerns.

References: [1] Liddle, S. T. Angew. Chem. Int.Ed., 2015, 54, 8604-864. [2] Maria, L.; Domingos, A; Santos, I. Inorg. Chem., 2001, 40, 6863-6864. [3] Maria, L.; Santos, I. C.; Santos, I. Dalton Trans. (Invited article: New Talent: Europe), 2018, 47, 10601-10612.

Funding: Fundação para a Ciência e a Tecnologia (FCT, Portugal) through the project UID/Multi/04349/2013 and the FCT Grant SFRH/BPD/101840/2014 (LM).

Keywords: f-Elements, Coordination chemistry, Uranium, Uranyl, Hydrobis(mercaptoimidazolyl)borates

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

P25 | Gas-Phase f-Element Chemistry Studies

Thematic Strands: Advanced Materials Earth Systems, Radioactivity and Cultural Heritage

C2TN members: Joaquim Marçalo*, Bernardo Monteiro (IST-ID Contract), João P. Leal, Joaquim B. Branco, José M. Carretas, Leonor Maria (IST-ID Contract) *Email of corresponding author: [email protected]

Research group: QEf | f-Element Chemistry Group

For some years, we have been using FTICR and QIT mass spectrometry to examine the gas-phase ion chemistry of the lanthanides from La to Lu (except Pm) and the actinides from Th to Cm. We have revealed new f-element species, determined thermodynamic properties of neutral and ionic molecules, and, in the case of the actinides, probed the role of 5f electrons in bonding and the issue of covalence. We will present some examples from current studies that comprise: the reactivity of uranium oxide anionic clusters with methanol, including kinetics and mechanistic studies; the hydrolysis of lanthanide oxide nitrate anions to probe high oxidation states in the 4f series, namely the access to uncommon Pr(V); and the activation of small hydrocarbons by lanthanide, thorium and uranium oxide anions that involve radical oxygens. These studies have a fundamental nature and do not address UN’s Sustainable Development Goals directly. Nonetheless, we expect to continue participating in the progress of f-element chemistry and, therefore, contribute to the resolution of “Energy” and “Environment” concerns.

Collaborations: 1 John K. Gibson | Lawrence Berkeley National Laboratory, Berkeley, USA 2 Nuno A. G. Bandeira | BioISI - FCUL, Lisboa, Portugal

Funding: FCT projects PTDC/QEQ-QFI/6430/2014 and UID/Multi/04349/2013 FCT grant SFRH/BPD/101840/2014 RNEM – Portuguese Mass Spectrometry Network, ref. LISBOA-01-0145-FEDER-022125, supported by FCT and the Lisboa Regional Operational Programme (Lisboa2020), under the PT2020 Partnership Agreement, through the European Regional Development Fund (ERDF)

Keywords: Ion Chemistry, Mass Spectrometry, Uranium Oxide Clusters, Praseodymium(V), Hydrocarbon Activation

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

P26 | Ln-Based Compounds: From Magnetism To Optical Sensing

Thematic Strand: Advanced Materials

C2TN members: Bernardo Monteiro1,* (IST-ID contract), Joaquim Marçalo1, João P. Leal1, Joana T. Coutinho2, Laura C.J. Pereira2, Manuel Almeida2 *Email of corresponding author: [email protected]

Research groups: 1 QEf | f-element Chemistry Group, 2 ES | Solid State Group

Optical Sensor

Based on the interaction of trihexyltetradecylphosphonium cation (P6,6,6,14)+ with a β-diketonate (1,1,1,2,2,3,3-heptafluoro-7,7-dimethyloctane-4,6-dionate - FOD) of an Europium(III) tetrakis-β- diketonate complex we present and discuss an equilibrium reaction with pronounced solvent effect between ethanol and methanol on Eu(III) luminescence, allowing detection and quantification of methanol in mixtures of both solvents (Figure 1). The developed spectrofluo-rimetric method provides a faster and low-cost quality test to detect and quantify methanol with limit of detection of 15% (w/w).

0,1 y = 0,0819x + 0,0083 0,09 R² = 0,9993 LOD= 0,207 0,08

0,07 .)

0,06

a.u ( 0,05

0,04 y = 0,0306x + 0,0187 R² = 0,9028 Intensity 0,03

0,02

0,01

0 0 0,2 0,4 0,6 0,8 1 Molar fraction (χ) Figure 1. Calibration curve for methanol estimation in ethanol/methanol mixtures. χ molar fraction of methanol in ethanol

Single Molecule Magnets

Three layered lanthanide hydroxides (LLHs), with the general formula Ln8(OH)20Cl4·nH2O (Ln = Tb (1), Ho (2), Er (3)), were prepared and magnetically characterized both as pure compounds and diluted within a yttrium diamagnetic matrix, LYH:xLn, LYH:0.044Tb (1’), LYH:0.045Ho (2’), and LYH:0.065Er (3’) . This study was complemented with theoretical calculations in order to understand the electronic configuration and the contributions to the slow relaxation behavior. In the pure compounds dominant 3D ferromagnetic interactions are observed, with a small magnetization hysteresis at 1.8 K for 1, while the magnetically diluted solid solutions display slow relaxation of the magnetization at low temperatures.

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

Figure 2. Experimental and semi-empirical calculations allowed to correlate Ln electronic configurations and the diversity of different magnetic behaviors of these LLHs.

Collaborations: Cláudia C.L. Pereira1, Tiago Moreira1, Mani Outis1, César T. Laia1, Filipe A.A. Paz2, Ricardo F. Mendes2, José J. Baldovi3 1 LAQV-REQUIMTE | Faculdade de Ciências e Tecnologia - Universidade Nova de Lisboa, 2829-516 Caparica, Portugal 2 CICECO | Complexo de Laboratórios Tecnológicos, Campus Universitário de Santiago, 3810-193 Aveiro, Portugal 3 MPSD | Max Planck Institute for the Structure and Dynamics of Matter, Luruper Chaussee 149, D-22761 Hamburg, Germany

Funding: We thank the Fundação para a Ciência e a Tecnologia (FCT) for financial support through the UID/Multi/04349/2013 project (C2TN), UID/QUI/50006/2013 (LAQV-REQUIMTE), grants to J.T.C. (SFRH/BD/84628/2012) and C.C.L.P. (SFRH/BPD/108959/2015) and contract to BM (contract nº IST-ID/077/2018). We thank the EU for project “SunStorage- Harvesting and storage of solar energy” (POCI-01-0145-FEDER-016387), funded by European Regional Development Fund (ERDF) and co-financed by the ERDF under the PT2020 Partnership Agreement (POCI-01-0145-FEDER – 007265), through COMPETE 2020 - Operational Programme for Competitiveness and Internationalization (OPCI), COST Action CA15128 MOLSPIN and ERC-2014-CoG-647301 DECRESIM) and the Spanish MINECO (Unit of excellence “Maria de Maeztu” MDM-2015-0538). J.J.B. thanks the EU for a Marie Curie Fellowship (H2020-MSCA-IF-2016-751047).

Keywords: Optical Sensors, Ionic Liquids, Single Molecule Magnets, Lanthanides, Layered Lanthanide Hydroxides

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

P27 | Neutrability: Soluble Neutral Materials For Molecular Electronics

Thematic Strand: Advanced Materials

C2TN members: Dulce Belo* (IST-ID contract), Sandra Rabaça (IST-ID contract), Rafaela A.L. Silva (C2TN fellowship), Isabel C. Santos, Elsa B. Lopes, Laura C.J. Pereira, Manuel Almeida, Students: Mariana Velho (PhD) *Email of corresponding author: [email protected]

Research group: ES | Solid State Group

The main purpose of this research line, in the scope of C2TN’s Solid State Group activities, is the study of Single Component Molecular Conductors (SCMC) by designing and preparing new and more soluble members of this still petite family and persevere in their testing as the base component in electronic devices. In addition to the multifunctionality, lightness and transparency commonly found in all other Molecular Materials, SCMC offers the simplicity of involving only a neutral molecule to be designed and processed. The strategy to overcome the insolubility drawback of SCMC has been their functionalization with “soluble” substituent group (alkyl, halogen, …). Several processing techniques have been tested and selected. The starting point of this line off research was the family of neutral transition metal complexes based on bisthiophenedithiolene ligands, that besides being one of the families comprising more examples of SCMC, this family also includes the two known successful attempts to process SCMC: it was showed that thin films, prepared by self-metallizing polycarbonate films with a SCMC are strain-resistive materials with advanced elastic properties, making them potentially useful for engineering flexible, lightweight, strain and pressure sensors; another SCMM proved is ability to be used as conductive ink, with a resistance of ~0.3 kΩ/sq, one order of magnitude better than commercial carbon based conductive inks. An outline of the research accomplishments and future work perspectives will be outlined. This line of research has contribute to ODS 3, 4, 9 and 11.

Collaborations: 1 C. Rovira, Marta Mas | ICMAB (CSIC), Bellaterra, Spain 2 D. Simão, M.T. Duarte | CQE-IST, Lisboa, Portugal 3 M. Fourmigué, D. Lorcy | Institut des Sciences Chimiques de Rennes, Rennes, France 4 Helena Alves | CICECO Universidade de Aveiro, Portugal

Funding: FCT: PTDC/QUI-QIN/29834/2017 and UID/Multi/04349/2013.

Keywords: Single Component Molecular Metals, Synthesis, Transition Metal Bisdithiolates, Molecular Sensors, Transport Properties, Molecular Designing

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

P28 | Thermoelectric Materials For Energy

Thematic Strand: Advanced Materials

C2TN members: Elsa B. Lopes*, António P. Gonçalves Students: Duarte Moço (PhD), Helena C. M. Ferreira (BSc), Gonçalo Domingos (BSc) *Email of corresponding author: [email protected]

Research group: ES | Solid State Group

Thermoelectric materials are able to convert heat into energy and vice-versa. This allows, for instance, the recovery of waste heat that can be converted back into energy or the use of these systems for specific cooling applications. A thermoelectric module is constituted by a number of legs of both p-type and n-type compatible high zT materials. The search for new thermoelectric materials continues because the current efficiencies of these materials are still low, they are mostly based in toxic and non abundant elements and therefore the costs are still high for more disseminated use. Recently we have focused our attention on the non toxic and cheap promising tetrahedrite-based p- type materials. Tetrahedrites are copper sulfosalt minerals (Cu12Sb4S13 general formula) with good thermoelectric properties after proper dopping. We have concentrated our attention in double substituition the tetrahedrite with a transition metal and Se (M= Co, Mn, Fe, Ni, Zn) Cu12-xMxSb4S13- ySey using different preparation methods. The best results of these studies will be presented. The final objective of this work, in collaboration with several other groups, is to develop a cheap “green” thermoelectric module with high efficiency.

Collaborations: 1 Prof. Edgar C. Fernandes, IN+, Dept. Mech. Engineering, Instituto Superior Técnico, Lisbon, Portugal 2 Prof. Pedro M. Amaral, Dept. Mech. Engineering, Instituto Superior Técnico, Lisbon, Portugal 3 Prof. Francisco Brito, Dept. Mech. Engineering, University of Minho, Guimarães, Portugal 4 Dr. Filipe Neves, Unid. de Energias Renováveis e Int. de Sist. de Energia, LNEG, Lisbon, Portugal 5 Prof. Theodora Kyratsi, Dept of Mech. and Manufacturing Engineering, Univ. of Cyprus, Nicosia, Cyprus 6 Prof. Bertrand Lenoir, Institut Jean Lamour, UMR 7198 CNRS, Université de Lorraine, Nancy, France 7 Prof. Judith Monnier, Institut de Chimie et des Matériaux Paris-Est, Université Paris-Est, Thiais, France

Funding: M-ERA.NET Project, Sustainable Thermoelectric Modules based on Non-toxic Silicides and Sulphides for Recovery of Waste Heat to Power Generation, THERMOSS, 2017-2020 FCT project “LocalEnergy”, PTDC/EAM-PEC/29905/2017

Keywords: Thermoelectrics, Tetrahedrites, Waste energy, Sustainable development

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

P29 | Slow Relaxation Of Magnetization In Molecular Materials

Thematic Strand: Advanced Materials

C2TN members: Laura C.J. Pereira2,*, Ana C. Cerdeira2 (FCT), Andreia A. Rosatella2 (FCT), Manuel Almeida2, Joana T. Coutinho2 (PhD), Bernardo Monteiro1 (IST-ID contract) Students: Maria Susano (PhD); Patrícia Ferreira (PHD) *Email of corresponding author: [email protected]

Research groups: 1 QEf | f-element Chemistry Group, 2 ES | Solid State Group

Over the past decades, progressive research in the Inorganic Chemistry community has allowed the synthesis of exciting new classes of molecular materials with unique magnetic properties. A subsequent interdisciplinary effort led this investigation to three main potential candidates to be developed as nanoswitch or nanomemory devices: spin crossovers, single molecule magnets and single chain magnets. Single molecule magnets (SMMs) are widely considered the class that shows the most promising features for remarkable potential applications since they behave as traditional magnets, although instead of originating in magnetic domains their slow relaxation of the magnetization is of purely molecular origin. Below a certain temperature, these molecules show slow relaxation of the magnetization, which arises from the behavior of individual isolated molecules, functioning as molecular nanomagnets. The intense research on SMMs can be translated in the fast growth of this class of materials, since they explore the interplay between classic and quantum effects. In spintronics they can find applicability in ultra-high-density information storage with each bit stored as the magnetization orientation of an individual molecule, and as quantum bits for quantum computing. Driven by this interesting physics, investigations on d and f-SMMs have been carried out allowing to study their characteristics which depend on the combination of the single-ion anisotropies of the metal centers involved as well as on the presence of d or f exchange interactions. These surveys rely on the magnetic characterisation of these compounds and the modelling of these properties by quantum chemistry calculations. The impact of our research in this area has continued to grow contributing to elucidate the behaviour of molecular magnets. Its success can be translated in the scientific collaborations forged with some of the most relevant international groups in the area of molecular magnetism, as well as through the high impact level of the peer-review publications.

Collaborations: Manuela Ramos Silva - CFisUC, Departamento de Física, Universidade de Coimbra, Rua Larga, P-3004-516 Coimbra, Portugal Pedro Teixeira Gomes - Centro de Química Estrutural, Departamento de Engenharia Química, IST, Universidade de Lisboa, Av. Rovisco Pais 1, 1049-001 Lisboa, Portugal Paulo Nuno Martinho - Centro de Química e Bioquímica, FCUL, Universidade de Lisboa, Campo Grande, 1749- 016 Lisboa Portugal Hélène Bolvin - Laboratoire de Chimie et Physique Quantiques, Université Toulouse III, 118 route de Narbonne, 31062 Toulouse, France Pablo Martín-Ramos - EPS, Instituto Universitario de Ciencias Ambientales de Aragón (IUCA), Universidad de Zaragoza, Carretera de Cuarte s/n, 22071, Huesca, Spain Stephen Hill and Dorsa Komijani- Department of Physics and National High Magnetic Field Laboratory, 1800 E. Paul Dirac Drive, Tallhassee, FL 32310, USA

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

William P. Gillin and Peter B. Wyatt - Materials Research Institute and School of Biological and Chemical, Sciences, Queen Mary University of London, Mile End Road, London E1 4NS, UK Eugenio. Coronado - Instituto de Ciencia Molecular, Universitat de València, C/Catedrático José Beltrán 2, E- 46980 Paterna, Spain J.J. Baldoví - Instituto de Ciencia Molecular, Universitat de València, C/Catedrático José Beltrán 2, E-46980 Paterna, Spain; Max Planck Institute for the Structure and Dynamics of the Matter, Hamburg, Germany Mauro Perfetti - Dept. Chemistry University of Copenhagen, Universitetparken, 5, 2100 Copenhagen, Denmark Joris van Slageren and Philipp P. Hallmen - Institut für Physikalische Chemie, Universität Stuttgart Pfaffenwaldring 55, 70569 Stuttgart, Germany Amir Hen and Andrei Rogalev - ESRF, The European Synchrotron, Grenoble, France

Funding: FCT projects (UID/Multi/04349/2013; and grants (ChemMat PD/0045/2013; ChemMat PD/BD/135530/2018; PD BL57/2018_IST-ID; BL58/2018_IST-ID; SFRH/BD/84628/2012), European Institute of Molecular Magnetism (EIMM), ECOST-CA15128 MOLSPIN

Keywords: Molecular Magnetism, Anisotropy, Single-Molecule Magnets, Nanomagnetism, Spintronics

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

P30 | Self Assembled Bilayer Molecular Metals (CNB-EDT-TTF)4X; Polymorphism And Superconductivity

Thematic Strand: Advanced Materials

C2TN members: Sandra Rabaça* (IST-ID contract), Vasco Gama, Rafaela. A. L. Silva, Elsa B Lopes, Isabel C. Santos, Manuel Almeida Students: Sandrina Oliveira (PhD), Cristina Gonçalves (PhD), Afonso Varatojo (BSc), Gonçalo Lopes *Email of corresponding author: [email protected]

Research group: ES | Solid State Group

A novel type of 2D electronic systems based on radical cation salts with a donor bilayer structure was recently described by our team in radical cationic salts of an electronic donor asymmetrically substituted with CN groups (CNB-EDT-TTF). These bilayer systems provide a new model for 2D electronic systems, intermediate between single layer and 3D solids, exhibiting unique properties associated with a direct coupling between two adjacent layers of partially oxidised donor molecules interconnected by relatively weak but direct interactions. These interactions are induced by head- 2 2 to-head donor pairing interactions associated with an effective combination of R 2(10) and R 4(10) synthons of C−N···H interactions [1,2]. Different polymorphs of salts with the 4:1 stoichiometry, (CNB-

EDT-TTF)4X depending on the solvent and crystallization conditions, have been obtained with several ------small anions such as X= ClO4 , BF4 , ReO4 , PF6 , AsF6 , SbF6 , I3 , AuI2 , … [3,4,5]. These 4:1 salts present 2D metallic properties with unusual characteristics derived both from the unusual stoichiometry and the weak interaction between paired donor layers. Depending on the crystal packing different physical properties, including superconductivity, can be obtained. However in spite significant exploratory work already undertaken the different compositions, crystal structures and physical properties of these bilayer systems remain far from being fully explored and well understood. The formation of bilayer structures with different anions, including paramagnetic anions, or based on related dissymmetric donors capable of comparable interactions is currently being explored, and the study of their physical properties, including the anisotropy and coherenece of electrical transport will constitute a topic of intensive research during the next few years. The results, due to the originality of these structures, and uniqueness of these 2D electronic systems, intermediate between single layer and 3D solids, are expected to have a large impact in the understanding of low dimensional molecular conductors and superconductors.

References: [1] S. Oliveira, D. Belo, I.C. Santos, S. Rabaça, M. Almeida Beil. J. Organic Chemistry 2015, 11, 951- 956. [2] S. Oliveira, J. Ministro, I.C. Santos, D. Belo, E.B. Lopes, S. Rabaca, E. Canadell, M. Almeida Inorg. Chem. 2015, 54, 6677−6679. [3] S. Rabaça, S. Oliveira, V. Gama, I.C. Santos, D. Belo, E.B. Lopes, E. Canadell, . Almeida Inorg. Chem., 2016, 55, 10343-10350. [4] S Rabaça, S. Oliveira, A.C. Gonçalves, V. Gama, I.C. Santos, D. Belo, M. Almeida Cryst. Growth Design, 2017, 17, 2801−2808. [5] S. Rabaça, S. Oliveira, V. Gama, I.C. Santos, G.Oliveira, E.B. Lopes, E. Canadell, M. Almeida Crystals 2018, 8, 142.

Collaborations: 1 J.A. Paixão | Departamento de Física-Univ. Coimbra, Coimbra, Portugal 2 E. Canadell | ICMAB (CSIC), Bellaterra, Spain

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

Funding: FCT through contracts, C494247114-00091874. LISBOA-01-0145-FEDER-029666, ID/MULTI/04349/2013 and RECI/QEQ-QIN/0189/2012 and grants SFRH/BPD/113344/2015, SFRH/BD/72722/2010 and SFRH/PD/BD/127804/2016, to S. Rabaça, S. Oliveira and C.Gonçalves, respectively

Keywords: Bilayer Molecular Metals, Dissimetric Organic Donnors, Organic Conductors, Superconductors

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

P31 | The Importance Of Cation-Anion Interaction In The Spin Crossover Phenomenon: Structural And Magnetic Correlations In

[Fe(nsal2trien)] Salts

Thematic Strand: Advanced Materials

C2TN members: Bruno J.C. Vieira* (C2TN contract), Vasco da Gama, Isabel C. Santos, Laura C. J. Pereira and João C. Waerenborgh *Email of corresponding author: [email protected]

Research group: ES | Solid State Group

The evolution of electronics in the last 50 years has been the backbone of the colossal improvement in various areas of society, such as health, transportation, agriculture, telecommunications, education, etc. One of the main challenges of the new era of electronics is to reproduce at a molecular level spintronic devices, which bring the benefits of smaller component size and a new range of properties that can be readily tuned. For this purpose, molecular materials containing inexpensive iron are presently the most studied systems. The spin crossover (SCO) phenomenon is one of the most spectacular examples of molecular bistability and is quite promising for possible use in molecular electronics or switches. It has been observed in some octahedral first row transition metal complexes with electronic configurations from d4 to d7 and takes place when there is an energy difference between a high-spin (HS) state and a low-spin (LS) state of the order of kT, (k is the Boltzmann constant). Switching between spin states on a molecular level leads to distinctive changes in colour, structure and magnetism, which can be driven by changes in temperature, pressure, and in some cases by light irradiation. We report the relevance of cation–anion and cation–solvent–anion interactions to the crystal lattice rigidity and the corresponding effect on the SCO behaviour of six iron(III) complexes with the hexadentate Schiff base ligand nsal2trien. These compounds were synthesized and structurally and magnetically characterized by multiple techniques such as single crystal X-Ray diffraction, magnetometry measurmentes in a SQUID and Mössbauer spectroscopy. In the most rigid structures, the SCO behaviour is either not allowed or severely hampered. For lower structural connectivity, incomplete transitions are observed within the 4–300 K temperature range. The most flexible structure shows a complete transition. The interactions between the cationic units and the anions were found to be more important than the cation–cation interactions for the SCO phenomenon and for the overall cooperativity related to the abrupt/gradual character of the transition. Computational studies were performed in order to determine the crystal splitting gap Δoct. The calculated values for the HS and LS Δoct are very similar for all compounds suggesting that these parameters have very little influence on the SCO behaviour. This study allowed to deepen the knowledge of the mechanics that control the spin transition as well as to approach the creation of guidelines for the intelligent design of SCO materials.

Collaborations: Nuno A. G. Bandeira1,2,3 1 Institute of Chemical Research of Catalonia (ICIQ), Tarragona, Spain 2 Centro de Química e Bioquímica – Faculdade de Ciências, Universidade de Lisboa, Lisboa, Portugal 3 Centro de Química Estrutural – Instituto Superior Técnico, Universidade de Lisboa, Lisboa, Portugal

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

Funding: Research funded by Fundação para a Ciência e a Tecnologia (FCT, Portugal) through the project UID/Multi/04349/2013

Keywords: Magnetic Materials, Iron(III), Spin Crossover, Switchable Materials, Spinctronics

2ND WORKSHOP C2TN: RADIATION FOR SCIENCE AND SOCIETY 11TH DECEMBER 2018

P32 | Outreach Group Of C2TN: Sharing Science With Society

C2TN members: Dulce Belo5,6,* (IST-ID Contract), Ana Catarina Antunes6 (IST-ID Fellowship), Nuno Canha4,6 (IST-ID Contract), Marta F. Dias6 (IST-ID Fellowship), António N. Falcão3,6, Joana F. Guerreiro1,2,6 (IST-ID Fellowship), Margarida Oliveira6** (IST-ID Fellowship) *Email of corresponding author: [email protected] * From June 2017 to May 2018

The C2TN's Outreach Group (GO) was formally created in 2018 with 3 main objectives: (i) to promote and disseminate the relevance of the research, development and innovation activities and services provided by C2TN for the society and scientific communities, thus promoting the various aspects of scientific culture and knowledge; (ii) to increase the visibility of C2TN in national and international events and in social media; (iii) to encourage collaborative and cooperative links between C2TN and various stakeholders and actors in the academic, scientific, business, industrial and health fields. In this communication, an overview of the outreach activities developed in 2018 will be outlined, highlighting the participation in several events: (a) Loures InSS 2018, (b) Encontro Ciência 2018 and the (c) Noite Europeia dos Investigadores 2018. Living up to the motto "Radiation for Science and Society", GO launched the blog "O Alfabeto das Radiações", directed mainly to the non-scientific communities that are interested in Science and scientific answers. GO was also committed with the dinamization of many other C2TN's Social Media platforms, such as its official site, Facebook or LinkedIn. The present communication will also include an outline of the future activities of GO, namely the "Cientificamente Provável" project which aims to bridge the gap between high schools and University Research Units. This project intends to motivate young people to pursuit their high education degrees and the students' interest for science at an initiate level.

Collaborations: Ciência Viva | Agência Nacional para a Cultura Científica e Tecnológica, Lisboa, Portugal Agrupamento de Escolas da Bobadela Escola Secundária Fernão Mendes Pinto – Almada

Funding: FCT - UID/Multi/04349/

Keywords: Outreach, Social Media, Science for Society, Scientific Culture, Science Promotion