Doctoral Candidates

My name is Adam Kubrak, I am a graduate master's student from the Jagiellonian University (JU) in Krakow (Poland) and I become a PhD student at the University of Florence (UNIFI) as well as part of the FC-RELAX Doctoral Network. I finished my master’s and bachelor's degree in Chemistry with a focus on biospectroscopy. During my bachelor studies in chemistry, I worked as a student volunteer at Jagiellonian Center for Experimental Therapeutics and in the Raman Imaging Group at the Chemistry Faculty as a beneficiary internal scholarship. The main aim of our project was the research on the applications of Raman spectroscopy, which is a potential new tool for clinical diagnosis. My study focused on the biochemical analysis of endothelial cells under different conditions using the Raman imaging technique to monitor changes in biochemical composition in endothelial cells. On the other hand, I analyzed also Raman reporters (RR), which allows us to monitor organelles. The performed study, which was also part of my bachelor's thesis was focused on the effects of adrenaline and cortisol changes in nucleic acids, lipids and protein content and their distribution in human coronary artery cells. The evaluated RR MitoBADY visualized the distribution of the mitochondria in different conditions of the cells.
My scientific experience during my master's studies is primarily on Zero and Ultra-Low Fields (ZULF) NMR which I gained in my fellowship at the Institute of Physics, JU. The research focus was the relaxometry properties of (bio)chemicals and biofluids at the ZULF regime, chemical analysis of various chemicals (e.g. phosphorus compounds, amino acids) using ZULF NMR spectra (so-called J-spectra) and gathering them in ZULF spectra library for further studies on chemical fingerprinting and ZULF NMR detection of hyperpolarized compounds using SABRE, PHIP and PHIP-X techniques. The long-term objective of the research was to explore the applications of ZULF NMR as a complementary technique to conventional high-field NMR. For my master’s thesis, I studied the relaxation properties of human blood and its components in ultra-low and high magnetic fields. In my studies, I also analyzed the influence of blood aging and temperature on the blood samples and how it affects the relaxation times. I also had an occasion for a scientific visit to Johannes Gutenberg University in Mainz, Germany, where I studied SABRE (signal amplification by reversible exchange) hyperpolarization of biomolecules for benchtop (1 T) NMR detection.
The upcoming project will allow me to extend my knowledge in NMR Relaxometry. With the support of collaborators from CERM and other institutes, I will explore the proton relaxivity profiles of paramagnetic substances in different confined environments. This will allow us to evaluate the effect of internal molecular dynamics on the relaxation properties. Another aim of my project is a software code, that will be a tool for the analysis of the relaxation profiles of paramagnetic molecules, proteins, and nanoparticles. I strongly believe that the collaboration within this network will allow us to improve our personal skills, gain broad multidisciplinary scientific experience, and create long-term connections with other coworkers from academic and non-academic sectors.

Research Project:

Proton relaxivity of paramagnetic proteins and nanoparticles in confined environments

Host Institution: University of Florence

Supervisor: Giacomo Parigi

Objectives:

• modeling the paramagnetic relaxivity of complexes in confined environments, by taking into account internal mobility effects and static and transient zero field splitting,
• characterization of paramagnetic proteins and nanoparticles,
• evaluation of the efficacy of paramagnetic complexes to monitor tissue regeneration, once embedded into biocompatible tissues prepared with hydrogels.

Secondments:

• 4 months at Instituto Superior Tecnico, Lisboa for the development of the software code for the analysis of the relaxivity profiles,
• 3 months at BRACCO for the synthesis of Gd-complexes embedded in nanosystems.

I earned a Bachelor's degree in Industrial Chemistry (First Class honors) from Dedan Kimathi University of Technology in Kenya in 2016. My thesis was "Determination of the levels of copper and lead in the soils of Kimathi University coffee farm" whereby I used scanning electron microscopy (SEM) and atomic absorption microscopy (AAS) for my project analysis. Nonetheless, I was awarded the vice-chancellor award among the thee best overall students in the 2013/2014 and 2013/2014 academic calendars while we pioneered the Dedan Kimathi University Chemistry Club. After my undergraduate program, I marveled how matter interacts to form new things, how Mother Nature has everything figured out when she meets with science. This intensified my love for the sciences, especially molecular dynamics and as I did my final examinations, I had already decided to pursue research in molecular dynamics at the masters level. Actually, I was among the best students in that year in our department. Joining masters program proved to be the best thing ever. I received the prestigious Korean Government scholarship in 2017, that catered for one year Korean Language programe at Inha University and a Master’s degree in Physical Chemistry (computational chemistry) from Kyungpook National University in South Korea. For my graduate program, I worked on mapping the ground state of a system of non-interacting quasi-particles using the standard Kohn-Sham (KS) density functional theory methodology (DFT), my masters thesis was entitled ‘Ab initio theoretical study of photo-protective mechanisms of both methyl anthranilate and menthyl anthranilate as used in sunscreen bythe MRSF’. Also, I examined photodynamically excited three state population transfers via sequentially coupled two vibrational modes in s-trans-1,3-Butadiene, A Fresh Look at the Absorption Spectrum of 4 (N,N Dimethylamino) benzonitrile by Mixed Reference Spin Flip Time Dependent Density Functional Theory (MRSF TDDFT). Additionally, structures implicated in the usage of p-cresol for the production of AgNPs and charge transfer were examined in order to better understand cation-cation interactions. I was working with atomistic modelling techniques from MRSF-TDDFT during this time, which were used to these simulations' conical intersection (CI) searches, geometry optimisation, and ab initio calculations of energies. Furthermore, GAMESS-US software was used for Molecular Dynamics (MD) simulations. Python and bash programming were used to do all of these tasks. After graduating, I have been a part time lecturer at Jomo Kenyatta University of Agriculture at Department of Chemistry. I prepared and delivered lectures on subjects including group theory, physical chemistry, chemical kinetics, computer applications in chemistry, nuclear chemistry, polymer processing, and chemical thermodynamics to undergraduate students. I was in charge of exam preparation, and grading. I also kept track for student attendance, grades, and other necessary data with confidentiality. In order to provide students with guidance and support, I produced course materials like assignments and handouts while keeping my regularly scheduled office hours. I oversaw undergraduate research and teaching projects, as well as studying of recent literature, conversations with peers, and attendance at conferences. During this period, we published a book chapter entitled Solid Solution Strengthening in High-Entropy alloys in High Entropy Materials - Microstructures and Properties book edited by Prof. Yong Zhang.
My PhD studies and research will lead to extensive sets of NMR relaxometry data for biomolecules. Theoretical models of relaxation processes will be applied to extract information about molecular dynamics from the relaxation data. At the same time, the analysis will serve as a very thorough test of the theory for the purpose of establishing a theoretical approach that will capture the essential properties of the systems, but will be not too cumbersome for biological applications. The studies will be supported by MD simulations which will help to resolve ambiguities in the scenarios of the molecular motion. Moreover, the contrast performance of paramagnetic systems embedded into biomolecules will be evaluated. The Field Cycling NMR relaxometry studies will be complemented by time-domain (TD) NMR experiments. The research plan will involve two secondments in Germany which will contribute both scientific advancements and social engagement.

Research Project:

Slow dynamics of biomolecular systems

Host Institution: University of Warmia and Mazury

Supervisor: Danuta Kruk

Objectives:

• reveal characteristic features of dynamical processes in biomolecules, occurring on a long time scale (from ms to ns),
• identifying mechanisms of motion in biological solids of different complexity,
• revealing dynamical properties of hydrated biomolecular systems,
• enquiring into the potential of exploiting biomolecules as carriers for paramagnetic ions,
• exploring the potential of QRE effects as a sensitive probe of molecular dynamics.

Secondments:

• 4 months at the University of Rostock for comparison of MD simulations outcomes with specific motional models,
• 3 months at Resonance Systems for time domain NMR measurements.

I’m Guru Kiran, and I come from the vibrant city of Bangalore, India. I graduated from the University of Bangalore in MSc organic chemistry with a 3years bachelor degree in chemistry, zoology, microbiology. I became fascinated in the research field in NMR and by the way how these techniques are applied to the design of new molecules with possible commercial and biological activity. I used NMR spectroscopy as the main tool in my master dissertation work in synthesis of biologically active heterocyclic compounds. After the completion of my masters degree I joined as a project associate in prestigious NMR research Centre IISC Bangalore where I had the privilege of working alongside esteemed researchers and performing NMR experiments on small molecules to bigger proteins and also to do there structural analysis for 2 years and gained instrument handling and performing of NMR 1D and 2D experiments HMBC, HSQC, ROSEY, NOESY, COSY, TOXY etc experiments in both solution and solid-state NMR, in solid state I have learned doing cp-mas, mat pass, saturation recovery, Han-echo and other single pulse decoupling experiments and experience in handling Bruker 800, 700, 500, 400 MHz spectrometer. This opportunity has equipped me with a deep understanding of molecular dynamics and ability to analyse NMR relaxation properties of biomolecules.
I am excited to contribute my skills and knowledge to the field of synthesis and NMR relaxometry for biomedicine. This project will allow us to diving deep into the fascinating realm of NMR relaxometry of Mn complexes and exploring how this technique can provide valuable insights into the behaviour of biological systems. By studying the relaxation times of Mn complexes in different biological systems which will help us to unveil important information about their structure, dynamics and interactions. This holds immense potential for biomedicine. By understanding the NMR relaxation properties of Mn complexes in various biological systems which will help us to the development of improved diagnostics tools and a deeper understanding in the MRI. This could pave the way for more accurate and non-invasive methods of tumour analysis, monitoring treatment responses and even designing targeted therapies.
I hope to receive cutting-edge and innovative training further in the field of synthesis of the Mn contrasting agents and in the field of nanoparticles. I look forward to contributing effectively to the Synthesis and relaxometric studies of Mn-complexes associated to silica nanoparticles with my training as a organic chemist in this multidisciplinary initiative.

Research Project:

Synthesis and relaxometric studies of Mn-complexes associated to silica nanoparticles

Host Institution: University of Mons

Supervisor: Sophie Laurent

Objectives:

• Development of highly efficient Mn-complexes as MRI contrast agents, as an alternative to gadolinium complexes which suffer from toxicity issues, such as the NSF disease for patients with impaired renal function.

Secondments:

• 2 months at the Ecole normale supérieure Paris for protein corona of silica nanoparticles by high-resolution relaxometry,
• 2 months at the University of Aberdeen for relaxometric studies of Mn-complexes on phantoms using whole-body FC imaging,
• 3 months at BRACCO for synthesis and analysis of Mn and Gd complexes.

Hello, I am Muhammad Muntazir Mehdi, a 29-year-old individual hailing from The Islamic Republic of Pakistan. I embarked on my academic journey with a passion for Physics, and today, I'd like to share some highlights of my educational and research experiences with you.
Undergraduate Studies: In 2018, I successfully completed my undergraduate studies in Physics at Ghazi University, Pakistan. My undergraduate thesis, titled "Dielectric properties of (Zn)x/CuTl-1223 superconductor composites," marked the beginning of my research journey. Through solid-state reactions, I synthesized (Zn)x/CuTl- Nano-superconductor composites and extensively analyzed them using techniques such as SEM, TEM, EDS, XRD, Raman, FT-IR, and XPS. During my bachelor's studies, I delved into a wide array of advanced courses in Physics and Chemistry, including Classical & Quantum Mechanics, Electricity and Magnetism, Modern Physics & Spectroscopy, and more. This diverse curriculum greatly enriched my knowledge in the realm of Materials Physics and Chemistry.
Research Experience and Practical Skills: I didn't limit my learning to the classroom. I gained invaluable practical skills and hands-on research experience by actively participating in internship projects. One such project involved studying the absorption and scattering behavior of nanostructured materials like dye-polymer composites, which are integral to the development of diffractive optical elements. These experiences honed my abilities to plan, execute experiments, and analyze scientific data effectively.
Master's Journey in China: After completing my undergraduate studies, I secured a fully funded scholarship from the Chinese government and pursued my master's degree at Northwestern Polytechnical University (NPU), China. My master's thesis, titled "Evaporation of Drops Containing Active Colloids," was carried out under the Chinese Government Foundation for Fundamental Research on Soft Matter Physics. My research had a practical impact, as it explored how patterns of biological fluids could be used for disease diagnosis. I investigated particle transport, internal flow, and droplet patterns during evaporation, with a focus on active colloid suspensions. This work had applications in diagnosing contaminated water samples and improving disease management procedures. During my time as a research assistant at NPU, I also had the privilege of leading a team of 10 undergraduate students for two materials physics projects. Throughout my master's degree, I gained proficiency in Python and utilized various software tools Origin Pro, MATLAB, and COMSOL Multiphysics.
Teaching Experience and Networking: My journey also includes a year of lecturing experience in Indonesia, which allowed me to further develop my teaching skills and expand my network in the academic world. I have a collaborative spirit and a friendly attitude, making me a team player who can handle multiple challenges simultaneously.
Aspirations and the Future: Now in my Ph.D. project, I am focused on the development and distribution of a versatile modular software tool. This research is conducted within WP1 (Theoretical advances and software tools), WP2 (Experiments for model validation), and WP4 (Relaxometry for advanced materials). Additionally, two planned secondments will provide invaluable opportunities for skill development and collaboration with experts in the field. As a young EU researcher within this network, my aim is to successfully accomplish the objectives of both my project and the broader network. I aspire to grow into a dedicated researcher, making meaningful contributions both in terms of scientific advancements and social engagement.

Research Project:

Data processing software for FC NMR relaxometry and characterization of advanced materials

Host Institution: Instituto Superior Tecnico

Supervisor: Pedro Sebastiao

Objectives: 

• Development and distribution of a modular software tool to (i) analyse FFC-NMR data from raw data to extract NMRD model parameters, including datasets presenting multi-exponential behaviour, (ii) deal with multipopulations experiments and offers basic statistical tools, (iii) easily extend the tool to new models and algorithms, (iv) provide a pipeline-based approach that can be linked to pulse sequences and easily distributed, (v) export data into a standard format.
• The software will be used to study magnetic ionic liquids with different anions and cations in order to understand the influence of their interaction in the enhancement of paramagnetic relaxation aiming at tuning potential macroscopic magnetic properties.

Secondments:

• 4 months at the University of Aberdeen for the development of the FitLike software,
• 3 months at STELAR for the development of software interface tools with FFC relaxometer.

I’m Angel Mary from India, and I graduated from the Indian Institute of Science Education and Research (IISER)-Kolkata with my BS-MS dual degree. I learned about the MD simulations and the plethora of applications they had in the fields of biophysics and materials science through a reading project during my undergrad days. Following that I joined the theoretical and computational biophysical chemistry lab and explored my interests in spin glass theory and the non-native perturbation in the “Go-model” of protein folding. This got me hooked on the subject of statistical thermodynamics as a tool to connect the macro and micro regimes and study complex systems. I have also explored the in-silico tools employed in the drug discovery process and the potential of catalytic antibodies through a short project. I got the opportunity to carry out a summer internship at the University de Paris as a part of the prestigious Charpak scholarship. The focus of this project was to decipher the structural specificity of non-coding RNA molecules by using various tools to model the secondary structure of RNA, incorporating the SHAPE (biochemical characterization technique) data available. I did my master’s thesis on the structure based coarse-grained modeling for RdRp (RNA dependent RNA polymerase) of SARS CoV-2, addressing the large length scale and long time scale problem. I have obtained notable findings about the breathing dynamics of the RdRp protein guiding RNA binding to the active site of RdRp. I have a strong passion for teaching as it always helped me better understand the concepts and apply them effectively in my research. Apart from my research work, I take an interest in science communication initiatives as well.
I hope to receive cutting-edge and innovative training to grow into a future STEM leader as a part of the FC-RELAX MSCA doctoral network. I'm excited about the doctoral degree journey to accomplish the goals of my project and that of the network as a whole which is highly collaborative in nature with the industry and academic partners on board. FC-relaxometry is a powerful tool to monitor structure and dynamics across a broad range of time scales with extensive applications. However there exist lacunae in the theoretical models to analyze the data from experiments. I would be employing the scope of MD simulations for refining the analytical framework of field-dependent relaxation processes. My doctoral project under Prof. Ralf Ludwig at Uni of Rostock will focus on the analysis of dipolar and quadrupolar relaxation in model ionic liquids and electrolyte solutions, disentangling the contributions from different kinds of molecular motions. I look forward to contributing effectively to the theoretical understanding of NMR relaxation with my training as a physical and theoretical chemist in this multidisciplinary initiative.

Research Project:

Computing dipolar and quadrupolar NMR relaxation data from MD simulations

Host Institution: University of Rostock

Supervisor: Ralf Ludwig

Objectives:

• analysis of dipolar and quadrupolar relaxation in model ionic liquids and electrolyte solutions by means of MD simulations.
• MD simulations will offer a guideline to test appropriate analytical descriptions and help to disentangle the contributions from different forms of molecular motion.
• Analytical tools will be developed and provided as Open source.

Secondments:

• 4 months at the University of Warmia and Mazury in Olsztyn for the development of the relaxation theory for anisotropic and internal relaxation,
• 3 months at STELAR for the design of experimental approaches for ionic liquids.

My name is Madeleine Rhodes, and I am from Queensland, Australia. I am currently completing a PhD at The University of Aberdeen, Scotland. I have a bachelor’s in biomedical engineering from the Queensland University of Technology (QUT), where I graduated with honours and achieved further study in immunology and biotechnology. My honour’s thesis focused on optimisation of the chemical composition of an innovative hydrogel material, improving the structural integrity whilst generating a functional and effective microenvironment suitable for cellular proliferation and 3D bioprinting. I additionally completed a research internship at the Prince Charles Hospital where I aided research of Cardiac Mechanical Circulator Support (MCS) technologies, predominately the left ventricular assist device (LVAD) and extracorporeal membrane oxygenation device (ECMO). This research analysed the hemocompatibility and biocompatibility of the LVAD and ECMO through use of microfluidic devices, in vitro modelling, clinical trials, and animal studies.
I have constantly integrated both medicine and engineering as I strongly believe that partnership of these two fields will advance health care and provide opportunity for new therapies to be developed. As field-cycling relaxometry is a multi-disciplinary field of research, I am excited to be part of the FC-Relax network. I hope to provide a biological model that compliments theoretical models by utilising my knowledge of medical biology in combination with complex mathematical and engineering systems. My individual project, supervised by Dr Lionel Broche, will investigate the various structures of tissues and organs, aiming to identify relationships between relaxation dispersion profiles and the anatomy of diseases.

Research Project:

NMR relaxation mechanisms in biological tissues

Host Institution: University of Aberdeen

Supervisor: Lionel Broche

Objectives:

• development of advanced models for the relaxation profiles of biological tissues using FC imaging,
• development of protocol for optimal imaging of biological tissues,
• development of tissue models for the exploration of biological relaxation mechanisms,
• development of phantom materials for quality control of FC imaging.

Secondments:

• 2 months at the University of Florence for relaxometry in model systems of biological tissues and on partially deuterated biological samples,
• 2 months at the Ecole normale supérieure Paris for shuttle NMR experiments on model systems of biological tissues using multi-nuclear probes to access the dispersion profiles of non-proton entities,
• 2 months at the Resonance Systems for training on NMR relaxation methodologies.

Greetings, I'm Rajka Pejanovic from the charming town of Niksic in Montenegro. I earned my bachelor's degree from the Faculty of Natural Sciences and Mathematics in Podgorica, and furthered my academic journey by completing a master's in Nuclear Physics at the University of Catania through the esteemed Erasmus Mundus NucPhy program. Throughout my academic journey, I've garnered recognition as a high-achieving student, receiving prestigious awards and scholarships that highlight my dedication to the natural sciences. Notably, the Montenegrin Ministry of Education honored me with a scholarship for being the best student during both my bachelor's and master's studies for five consecutive years. Additionally, I have achieved several other accolades, including being a two-time National Scholarship Holder for the best students from 2013 to the present. I further expanded my academic achievements by receiving the Konrad Adenauer Scholarship Award in 2020/2021 and many other, not less important, awards.
I pursued my studies abroad, securing the prestigious Erasmus Mundus Joint Master's degree in nuclear physics, specializing in medical physics. Immersing myself in medical imaging and radiotherapy courses, I delved into enhancing these techniques to elevate overall life standards. Continuously honing my skills, I've attained proficiency in C++ and Python programming, with advanced knowledge in deep learning, artificial intelligence, and utilization of frameworks like Geant4. My master's thesis centered on a meticulous analysis of ¹⁶O microdosimetry. I augmented my academic pursuits with research internships at CIMAP - GANIL (France), where I delved into investigating the cellular effects of ionizing radiation. In tandem, I have actively engaged in research projects, notably contributing to the advancement of knowledge by employing deep learning methods to predict breast cancer recurrence.
FC-RELAX aligns perfectly with my research goals. Armed with a robust NMR background, adept data analysis skills, proficiency in various programming languages, and a collaborative mindset, I am enthusiastic about contributing to the program's objectives. The program's emphasis on cutting-edge research, international collaboration, and access to resources will enhance my skills. I envision leveraging the FC RELAX fellowship to strengthen my research profile. By engaging in interdisciplinary collaborations and utilizing state-of-the-art laboratory facilities, I aim to publish impactful research papers in high-impact journals. The structured training and mentorship provided by the program will further enhance my leadership skills, enabling me to build and lead a team in NMR relaxometry research.

Research Project:

Interactomics of phosphorus-containing metabolites and lipids with high-resolution relaxometry

Host Institution: Ecole normale supérieure

Supervisor: Fabien Ferrage

Objectives:

• Development of a protocol to investigate interactions of phosphorus-containing metabolites and lipids by high resolution FC relaxometry. The more favorable relaxation properties of phosphorus-31 will allow for overcoming the limits of hydrogen detection in lipoproteins, due to fast longitudinal relaxation of protons.
• This will allow for the investigation of very large supramolecular assemblies such as lipoproteins.

Secondments:

• 2 months at the University of Mons for interaction NMR experiments in cell cultures,
• 2 months at the Instituto Superior Tecnico, Lisboa, for the development of models specific for the analysis of high-resolution relaxometry data,
• 3 months at BRACCO for investigation of the proton exchange kinetics.

Hello, my name is Denis, and I come from Russia. My fascination with natural sciences, particularly physics, has been a constant throughout my life. Following the completion of my secondary education, I chose to further my academic journey in Saint Petersburg at Peter the Great Polytechnic University, where I pursued a Bachelor's degree in applied physics. My undergraduate thesis focused on the spectral and temporal characteristics of voice, examining their impact on listeners. This work prompted me to intentionally transition towards a career in academia. Subsequently, I enrolled in the Master's program at ITMO University, narrowing my focus to MRI and NMR physics. My master's thesis, titled "Multimode Metasurface as a Receive Coil for MRI," was a collaborative effort with colleagues from my faculty. Together, we developed a two-channel intrinsically decoupled metasurface tailored for MRI applications, surpassing the traditional two-element loop coil in Signal-to-Noise Ratio (SNR) for superficial tissues. Following graduation, I authored an extensive article in Applied Physics Letters, outlining the operational principles and practical outcomes achieved with the metasurface.
Continuing my journey at ITMO, I assumed the role of a research engineer, contributing to gradient modeling for a low-field permanent magnet scanner under the guidance of Professor Carlos Cabal from Cuba. During this period, I enhanced my proficiency in MATLAB, primarily for data analysis and visualization, and CST Microwave Studio, a crucial software package for full-wave electromagnetic simulations. It was during this time that I learned about the opportunity within the MSCA Doctoral network. Recognizing its potential to amplify the impact of my expertise, I promptly applied and was selected as a final candidate for the project, arranged by University of L’Aquila and STELAR, a cutting-edge manufacturer of field cycling NMR hardware. The program's design, fostering collaboration between academia and enterprise, resonates with my vision for advancing scientific endeavors. Having experienced the benefits of cross-border collaboration at ITMO, I firmly believe in the power of networking. I have witnessed tangible outcomes, including scholarly articles, valuable connections, and groundbreaking discoveries.
I am enthusiastic about contributing my knowledge to the program and further developing my networking capabilities. My goal is to facilitate seamless communication and collaboration between academics, enterprise engineers, and various laboratories across Europe. I am optimistic that the program will generate relevant scientific and engineering outcomes, ultimately enhancing the quality, accessibility, and functionality of NMR technology.

Research Project:

Development and optimization of the NMR detection chain

Host Institution: Stelar s.r.l.u.

Supervisor: Gianni Ferrante

PhD course enrollement: University of L’Aquila

Objectives: 

• the entire NMR detection chain of the FFC relaxometer will be redesigned in order to (i) improve the SNR, (ii) allow for the observation of different heteronuclei, (iii) speed-up high-throughput analysis of data,
• the new technology will facilitate the measurements of biological tissues, providing most suitable experimental tools.

Secondments:

• 2 months at the University of Aberdeen for training on MRI relaxometry and instrumental optimization,
• 7 months at the University of L'Aquila for training on innovative design of NMR instrumentation,
• 1 month at the Instituto Superior Tecnico, Lisboa, for advanced training on FFC NMR data fitting methods and algorithms,
• 2 months at the University of Warmia and Mazury in Olsztyn for tests on the methodological advancements against experimental applications.

Hello, curious minds and fellow travelers of knowledge. My name is Madalina Ranga, and I embark on an exciting journey within the FC-Relax project, set to revolutionize MRI contrast agents. Hailing from Moldova, my academic career began at the University of Debrecen in Hungary, where I earned both my bachelor's and master's degrees in Chemistry. During my tenure there, I had the privilege of serving as the Vice President of the Student Representative, honing leadership skills that complement my academic pursuits.
Now, venturing into a new phase of learning, I'm commencing my Ph.D. in structural biology at the University of Florence. This doctoral pursuit is part of a collaborative PhD networking initiative, where I aim to delve deeper into the realm of structural biology, specifically focusing on the development and enhancement of MRI contrast agents. The aim of my research lies in the synthesis, characterization, and exploration of novel ligands derived from DOTP (1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid) for the formulation of Gd(III) and Eu(III) complexes. These complexes hold immense promise in the field of medical imaging, particularly MRI, due to their unique structural and functional properties. The primary objective is: first, to comprehensively understand the structural nuances and functional dynamics of these complexes; second, to unravel the intricacies of proton exchange processes occurring between Gd(III) complexes and the surrounding solvent molecules, particularly under physiological conditions.
Anticipated outcomes of this research are manifold. Foremost is the successful synthesis and comprehensive study of Gd(III) and Eu(III) complexes using these novel ligands, leading to a profound understanding of their structural and functional properties. Through meticulous examination, we seek to identify and elucidate the kinetic parameters governing proton exchange, shedding light on in vivo catalysts that facilitate this exchange, potentially revolutionizing the realm of medical imaging. The implications of this research are vast. Not only does it promise an enhanced understanding of the fundamental properties of these complexes, but it also holds the potential to pave the way for improved MRI technologies in clinical settings. By unraveling the thermodynamic, kinetic, and structural features critical for the effective utilization of Gd(III) and Eu(III) complexes as MRI contrast agents, we hope to contribute significantly to the advancement of medical imaging techniques, ultimately benefitting healthcare and diagnostics.
The journey ahead is both challenging and exhilarating. However, armed with a robust academic foundation, a passion for discovery, and an unwavering commitment to scientific inquiry, I am motivated to delve into this research adventure. The prospects of contributing to the scientific community and making tangible advancements in medical imaging drive my determination and enthusiasm. As I embark on this journey, I am grateful for the opportunity and look forward to the discoveries and advancements that lie ahead.

Research Project:

Pure proton-exchange based relaxation agent for MRI applications

Host Institution: Bracco Imaging S.p.A.

Supervisor: Zsolt Baranyai

PhD course enrollement: University of Florence

Objectives:

• design, preparation, and characterization of new DOTP derivative ligands and Gd(III)-complexes,
• investigation of the proton exchange processes between the labile protons of Gd(III)-complexes and the bulk,
• preparation and characterization of the Eu(III)-analogues,
• preliminary testing with MRI imaging.

Secondments:

• 4 months at the University of Florence for the structural characterization of Ln(III)-complexes in solution,
• 3 months at the University of Mons for training on synthesis and analysis of Gd complexes and nanoparticles,
• 2 months at the Ecole normale supérieure Paris for interaction studies between the Gd(III)-complexes, metabolites and macromolecules.

My name is Valeriia Baranauskaite. I specialize in chemistry and physics. In my academic journey, I engaged in diverse projects, primarily focusing on the investigation of solutions and solids using various experimental techniques. The very first project of mine centered on producing gas sensors via Laser Induced Deposition. We successfully developed a technique to create a tiny yet highly porous gas sensor from aqueous solutions. We studied the formation process under varying conditions, including solution pH, composition, concentrations, deposition materials, and different laser power regimes. This project significantly expanded my knowledge, covering FTIR spectroscopy, SEM, EDX, SIMS, and providing insights into laser principles and electrochemistry. Another project aimed to develop a model for ternary electrolyte solutions. We examined phase diagrams across a wide temperature and concentration ranges: from ideal solutions to brines and subsequent crystal structures. Using thermodynamic approaches, we determined key parameters, including activity coefficients, enthalpies, and entropies. Our research employed various spectroscopic techniques such as Raman, NIR, and FTIR spectroscopy, as well as X-ray crystallography, supported by statistical analysis to deepen our understanding of these systems. Nuclear Magnetic Resonance played a crucial role in our investigation. We have studied relaxation times on different nuclei and diffusion coefficient of these nuclei in the wide concentration range and at different temperatures. Nuclear Magnetic Resonance aid greatly in drawing conclusions about dynamic structures. My third project in which I took part involved a study of elusive molecules within both aqueous and non-aqueous solutions. The primary objective was to stabilize these elusive molecules, enabling in-depth investigations using steady-state techniques, including UV/Vis spectroscopy, Fluorescence, FTIR spectroscopy, and NMR spectroscopy. Upon successfully achieving this objective, I have conducted proton transfer reactions with these stabilized molecules under ambient conditions, which helped to determine their kinetic and thermodynamic functions related to decomposition and protonation.
The current research is primarily focused on employing TD-NMR relaxometry to study the crystallinity and dynamic properties of hiPP/ICP materials. Through relaxation experiments, we can extract essential properties of polymer systems, facilitating an analysis of their structural and dynamic characteristics. To achieve these goals, a range of TD-NMR approaches will be utilized, including the T2 value measurements, spin-diffusion experiments, MQ NMR, and the assessment of crystallinity through Magic Sandwich Echo (MSE) experiments. These techniques will yield valuable insights into the molecular behavior of the materials under study. The data will be organized into an extensive dataset including the crystallinity of different homopolymers and copolymers. I plan to implement chemometric analysis, specifically Principal Component Analysis (PCA), for the identification of significant patterns and correlations within the data.
I am honored to join the HORIZON Doctoral Network FC-RELAX. I hope to contribute my expertise and collaborate with fellow researchers to advance our knowledge of Nuclear Magnetic Resonance. I look forward to engaging in meaningful communication, building new professional relationships, and expanding my skills during my tenure in this project.

Research Project:

Molecular dynamics and structure of partially crystalline materials by Time-Domain NMR

Host Institution: Resonance Systems GmbH

Supervisor: Leonid Grunin

PhD course enrollement: Lappeenranta-Lahti University of Technology

Objectives:

• combining all methods, pulse sequences and signal processing techniques accessible with low-field NMR (TDNMR, FFC-Relaxometer) for automated analysis of structure and dynamics of semicrystalline substances like biopolymers, synthetic materials (PE, PP, PET …), fats.

Secondments:

• 4 months at the University of Warmia and Mazury in Olsztyn for FFC relaxometry theory and practice, and software development,
• 3 months at the University of Rostock for molecular dynamics simulations.

Hello! My name is Mamoona Riffat. I have completed my master in Physics from University of Management and Technology, Pakistan. My research field is related to nanophysics. My thesis topic was about Preparation and Characterization of CdTe/ZnO heterostructures for production of hydrogen via water splitting. I have developed a home made setup of Chemical Vapor Deposition. Where I prepared various ZnO samples at different temperatures. After completion of my master's study, I started teaching Physics at undergraduate level but I was passionate to learn more. So, I decided to pursue Doctoral studies in Physics. I am excited to work in FC-RELAX MSCA doctoral network project, where people from different countries with different ideas will collaborate with me. This will increase my knowledge and skills.

Research Project:

Theory and molecular dynamics simulations of NMR relaxation of dendrimers for biomedical applications

Host Institution: Lappeenranta-Lahti University of Technology

Supervisor: Erkki Lähderanta

Objectives:

• Development of NMR relaxation in dendrimers with different architecture and chemical structure, with the focus on the field-cycling NMR;
• investigation of NMR relaxation of dendrimers in dilute solutions and concentrated environments by molecular dynamics simulations with atomistic resolution.

Secondments:

• 3 months at Resonance Systems for training on NMR relaxation methodologies and features,
• 2 months at the University of Aberdeen for training on MRI relaxometry and instrumental optimization for biological samples,
• 2 months at the Ecole normale supérieure Paris for training on NMR and high-resolution relaxometry.