VII ALBA Users' Meeting

Sep 3, 2026, 9:30 AM → Sep 4, 2026, 5:00 PM Europe/Madrid

Maxwell Auditorium (ALBA Synchrotron )

Caterina Biscari, Klaus Attenkofer

Dear users,

It is a great pleasure to invite and welcome you to the ALBA Users' Meeting, which will take place from 3^rd to 4^th of September 2026 at the ALBA Synchrotron in Cerdanyola del Vallès (Barcelona). It will give you a unique opportunity to learn more about ALBA’s new capabilities to support you in your research and provides a platform for communication and exchange within the community and with the facility.

Following the formal approval of the ALBA II project in 2025, this meeting will provide an excellent occasion to share key updates on how ALBA II will transform the facility, including the beamline upgrades and new scientific capabilities. 

We will start on the morning of September 3^rd with an overview of the ALBA II project, the science which will be enabled and the new tools that ALBA II will deliver to the community. An important aspect, the collaboration with the community to create new capabilities within the user program, will be introduced and explained on the example of new instruments, available within the InCAEM facility, including a new TEM, a scanning microscopy and a High-Performance-Computing (HPC) platform with preconfigured workflows. We will also discuss the opportunities which come with InnoFAB, a new state-of-the-art Lab-in-FAB with 200mm wafer capabilities, currently constructed in the direct neighborhood of ALBA. Early-career researchers play a vital role in shaping the future of our facility. In this context, we are introducing a new Early Career Distinction Award to recognize outstanding scientific work conducted using ALBA Synchrotron instruments.

On Friday 4^th we will show the impact of ALBA II, specifically the Beamline Upgrade Program, from the user’s perspective. These parallel sessions will combine technical perspectives on the upgrades with insights into the enhanced scientific possibilities they will enable, featuring invited talks and contributions from leading experts across a range of disciplines.

You can have a look here at the draft program we are preparing for a successful meeting.

We warmly encourage contributions from the user community to showcase the excellent research carried out at ALBA, through both oral presentations and posters. Please consult the important dates for abstract submission.

This meeting is being developed in close collaboration with ALBA staff and the AUSE members, with the aim of delivering a dynamic and community-driven program.

We very much look forward to welcoming you to Barcelona in September!

            

Authorship.docx

VII ALBA Users Meeting_poster.pdf

Thu, September 3

10:00 AM Registration

General introduction

ALBA Overview (From ALBA to ALBA II), Science & Partnerships, ALBA II Status

1 From ALBA to ALBA II

Speaker: Caterina Biscari

2 Science and Partnerships at ALBA

Speaker: Klaus Attenkofer

3 ALBA II Status

Speaker: Montse Pont

1:30 PM Group picture

1:35 PM Lunch & Poster Session

Newest ALBA Instruments

4 New Instruments: INCAEM Facility

Speaker: Ana Arché Núñez

5 New Instruments: FAXTOR Beamline

Speaker: Alessandra Patera

6 New Instruments: XAIRA Beamline

Speaker: Judith Juanhuix Gibert

7 New Instruments: 3Sbar Beamline

Speaker: Juan Jesús Velasco Vélez

8 Invited Speaker

Speaker: Aaron Bostwick (Advanced Light Source (ALS), Lawrence Berkeley National Laboratory, USA)

Roundtable: Collaborating for Impact: ALBA's Partnership Potential

9 Roundtable: Collaborating for Impact: ALBA's Partnership Potential

Speakers: Caterina Biscari, Javier Selva (Director General de Transferència i Societat del Coneixement - Generalitat de Catalunya), José Antonio Garrido (InnoFab - ICN2), Núria Montserrat (Consellera de Recerca i Universitats - Generalitat de Catalunya)

Posters' Session

10 Unravelling the mechanism behind rationally designed photo-reversible supramolecular materials: from single crystal to supramolecular gels

Gels can be defined as composite materials resulting from the combination of a solid (gelator) capable of generating a three-dimensional network that retains the flow of a much larger quantity of fluid due to surface tension. In particular “supramolecular gels” are an increasingly important class of new materials, defined by the ability of the molecular components to self-assemble through non-covalent or supramolecular interactions, generating a three-dimensional network that yields to gels. Importantly, these gels can be tailored to present optical and chiroptical activities,[1] to obtain composite or hybrid materials,[2,3] and to be biocompatible or have therapeutic activity.[4] Due to the fact that the nature of the interactions maintaining the network is dynamic and non-covalent the gelation is reversible in most of the cases. Hence, one of the most pursued characteristics when rationally designing these systems is the responsiveness to external factors such as temperature, mechanical stress, light, chemical agents, enzymes, and pH.[5] Of all of these, the use of light to induce transformations in gels is particularly interesting because it is non-invasive, can be remotely applied, and, if the alteration is reversible, does not change the chemical composition. But, when rationally designing a supramolecular building block for these new materials, it is crucial to rationally design the self-assembly interactions to foster gelation over crystallization because there is a delicate balance for a low-weight molecule to behave as a gelator or as a crystal building block. A balance that could be tuned by changing the experimental conditions during system decomposition and phase formation.[6]
We propose a dual‑beamline, multimodal approach using XALOC and NCD‑SWEET on the same samples to study self‑assembly across multiple length scales, with the aim of elucidating the physicochemical mechanisms that govern this balance. For that, we studied a model system capable of developing reversible trans-to-cis and cis-to-trans transitions upon irradiation with light sources of different energy (365 nm and 520 nm, respectively). Remarkably, as this molecule developed crystalline gels under specific conditions, this photoresponsive feature allowed for the study of simultaneous single-crystal-to-liquid crystal and gel-to-sol transitions, and vice versa. To have a clear insight into the structure-property relationship, we performed high quality single crystal X-ray diffraction studies, which successfully led to the determination of the molecular structure of the systems of interest. Even more, we also conducted SAXS and WAXS experiments to depict a clearer panorama of all the structural changes that are taking place while irradiating with different light sources. The necessity of performing fast data-acquisition during short periods of time to correctly follow the self-assembly process while introducing external irradiation sources into the sample cabinet to account for the stimuli-responses studies made the use of cutting-edge facilities as the BL11 - NCD-SWEET and BL13 - XALOC beamlines mandatory. We believe that this example reflects the synergic nature of these two beamlines working together to tackle novel challenges in crystallography and new materials.

Speaker: Federico Movilla (Universidad de Granada, Facultad de Farmacia, Departamento de Fisicoquímica)

11 3D Zebrafish Heart Morphology by X-Ray Phase Contrast Imaging

Following cardiac injury, mammals are unable to regenerate the affected tissue and instead form a fibrotic scar to preserve mechanical function. In contrast, zebrafish possess the remarkable capacity to fully regenerate the damaged area within 30 days post-injury.
The extracellular matrix (ECM) plays an essential role in this regenerative process. Using high-resolution mechanical measurements (atomic force microscopy and nanoindentation), our group identified a gradient in ECM stiffness across the regenerating tissue. This stiffness gradient arises from variations in the crosslinking of collagen fibers in a process mediated by periostin b. These findings indicate that the mechanical properties of the ECM are dynamically regulated during zebrafish heart regeneration, potentially playing a critical role in guiding cellular behavior and tissue remodeling.

To better understand whole-heart structure and morphology without prior physical manipulation (such as decellularization or sectioning, which can disrupt native architecture), we applied synchrotron-based X-ray Phase Contrast Imaging (X-PCI) at the FAXTOR beamline of the ALBA Synchrotron facility. This technique uses highly intense X-rays to visualize soft tissues in 3D at microscopic resolution without the need for contrast agents or destructive preparation methods. We examined cardiac morphology, ECM organization, and structural differences between wild-type zebrafish (which regenerate normally) and postnb KO mutant zebrafish (which lack the postnb gene and are unable to regenerate their hearts). We analyzed adult zebrafish hearts at 7 days post ventricular amputation or sham operation (non-amputated controls), preparing formalin-fixed, paraffin-embedded (FFPE) heart blocks for imaging. Image acquisition was performed at 20 keV with a voxel size of 0.65 µm.

In our first beamtime session, we acquired high-resolution tomographic images from 9 zebrafish hearts, including WT and PostnB KO mutant animals from both non-amputated hearts and hearts at 7 dpa. Despite the modest number of successfully acquired samples, we obtained valuable preliminary results. We observed that non-amputated wildtype hearts exhibit more structured cardiomyocyte fibers/trabeculae, a thicker epicardium/cortical cardiomyocyte layer, and appear more organized overall compared to non-amputated PostnB mutant hearts. Furthermore, analysis of one heart per amputated condition showed that, at 7 dpa, the wildtype regenerating region was organized and of similar dimensions to the original myocardium, whereas the PostnB mutant heart formed a disorganized, blob-like mass and larger than the original tissue (Figure 1). Further studies are needed to fully characterize the native organization of the myocardium, as well as the precise dynamics of its regrowth.

Speaker: Senda Jimenez (Idibell)

12 A new Window into soft matter Nanomechanics: Liquid Transmission Electron Microscopy and Flicker Spectroscopy

Soft matter systems exhibit dynamic structural fluctuations that govern their mechanical properties and functionality across biological, colloidal, and polymeric materials. However, probing these nanoscale fluctuations in liquid environments with high spatial and temporal resolution remains a significant experimental challenge. Here, we present a framework that combines Liquid Transmission Electron Microscopy (L-TEM) [1,2] with flicker spectroscopy [3] to quantitatively investigate the nanomechanics of soft matter. By exploiting the high-resolution imaging capabilities of L-TEM, we directly visualize thermally driven fluctuations of soft interfaces and analyze their fluctuation spectra to extract key mechanical parameters. This approach enables quantitative mechanical characterization with nanometer-scale spatial resolution while preserving the native liquid environment. We demonstrate the versatility of the method on representative soft matter systems, revealing how nanoscale mechanical heterogeneity and dynamic behavior emerge from their underlying structure. Our results establish L-TEM coupled with flicker spectroscopy as a powerful platform for bridging structural imaging and quantitative nanomechanical measurements, providing new opportunities for studying responsive materials, and fluctuating soft interfaces under realistic conditions.
References:
1. Frances M Ross etal, Oppertunities and challenges in liquid cell electron microscopy, Science 350, aaa9886 (2015).
2. G. Ing etal, Imaging A aggregation by Liquid Phase Transmission Electron Microscopy, bioRxiv, (2024) doi: 10.1101/2024.01.29.577710
3. Entropy-driven tension and bending elasticity in condensed-fluid membranes, PRL 64, 2094-2097 (1990).

Speaker: Nisha Pawar Chauhan (Senior Posdoctoral Scientist at Institute for Bioengineering of catalonia)

13 AN IN SITU X-RAY DIFFRACTION STUDY OF LIGHT HYDROCARBONS ADSORPTION IN PURE-SILICA ZEOLITE SILICALITE-2

INTRODUCTION
Structural deformations in zeolites during adsorption processes have been previously reported for materials such as MFI [1], RHO [2], AlPO-LTA [3], or AlPO-CHA [4]. These changes are typically associated with an increase in adsorption capacity above a certain pressure, as evidenced by the presence of steep steps in the adsorption isotherm. Such behavior is often linked to second-order phase transitions, where atomic connectivity is preserved, but changes in symmetry may occur. These transitions depend on both the pressure and the nature of the adsorbate.
Here, we describe the structural response of pure silica zeolite ZSM-11, also known as silicalite-2 [5] (IZA code: MEL), during the adsorption of light hydrocarbons (propane and butane). This study combines in situ powder X-ray diffraction (PXRD) with adsorption isotherm measurements.

RESULTS AND DISCUSSION
Propane and butane adsorption isotherms at 298 K do not present abrupt steps (Figure 1, left), in contrast to Ar adsorption at 77-97 K, which exhibits a sharp step, as previously reported (Figure 1, right) [6]. This suggested the absence of phase transitions during hydrocarbon adsorption in silicalite-2 and a continuous deformation of the framework.

Figure 1: (Left) hydrocarbon adsorption isotherms at 298 K; red: propane, black: butane; (right) Ar adsorption isotherms at 77 K (black), 87 K (red), 92 K (green) and 97 K (blue) on silicalite-2

To further analyze these phenomena, in situ PXRD experiments were conducted under atmospheres with controlled partial pressures of the selected hydrocarbons diluted in helium at room temperature.
All diffraction patterns of silicalite-2 obtained at different partial pressures were indexed with the same tetragonal symmetry (I -4 m 2), indicating that there were no symmetry changes during the filling of the microporous space of the zeolite. However, a continuous increase in the unit cell parameters was observed when increasing the ratio of hydrocarbon in the gas flow (Figure 2). This expansion is not linear with respect to the hydrocarbon uptake, showing a small variation of the cell volume after the inclusion of the first molecules, which occupy the void spaces, that becomes larger once the pores are almost full (Figure 3). These results demonstrate that silicalite-2 exhibits a significant framework flexibility, accommodating hydrocarbon molecules through continuous expansion of the pore system while preserving its structural symmetry. Moreover, this process is fully reversible, returning to the original cell parameters when submitting the material to a flux of pure helium at room temperature.

Figure 2: Variation of the unit cell parameters of silicalite-2 with the hydrocarbon/helium ratio (XCn). Red: propane; black: butane

Figure 3: Expansion of the cell volume of silicalite-2 with the uptake of hydrocarbon molecules. Red: propane; black: butane

EXPERIMENTAL
Silicalite-2 was synthesized following a previously reported procedure [7]. Prior to adsorption measurements the calcined material was degassed at 400 ºC under high vacuum for 12 h. Ar adsorption isotherms were measured using an ASAP-2020 (Micromeritics) equipped with a Cryotune system (3P Analytics), and hydrocarbon adsorption isotherms were measured using a BELSORP Max-II instrument. PXRD experiments were performed in an Anton-Paar XRK-900 reaction chamber attached to an Empyrean X-ray diffractometer. Prior to the measurements, the calcined material was degassed at 400 ºC under a continuous flow of helium. Hydrocarbon/helium mixtures with different proportions were then fluxed through the sample. Diffraction patterns were collected after equilibrium was reached for each flux composition.

CONCLUSIONS
Although zeolite flexibility is often associated with phase transitions driven by cation movement or structural/symmetry rearrangements, the present study shows that silicalite-2, which possesses no cations on the channel system, responds differently to light hydrocarbon adsorption. No phase transitions were observed. Instead, the material undergoes a continuous elastic expansion of the unit cell. This behavior highlights the intrinsic flexibility of the MEL framework, which adapts to guest molecules through smooth structural deformation while preserving its symmetry. Further studies using synchrotron radiation are expected to improve the structural resolution and gain a deeper insight into the adsorption-induced flexibility and the atomic displacements in the framework.

REFERENCES
[1] E. García-Pérez, J.B. Parra, C.O. Ania, D. Dubbeldam, T.J.H. Vlugt, J.M. Castillo, P.J. Merkling and S. Calero (2008) J. Phys. Chem. C, 112, 9976–9979.
[2] M. Palomino, A. Corma, J.L. Jordá, F. Rey and S. Valencia (2012) Chem. Commun., 48, 215–217.
[3] A. Krajnc, J. Varlec, M. Mazaj, A. Ristic, N. Zabukovec Logar and G. Mali (2017) Adv. Energy Mater., 7, 1601815.
[4] J. Varlec, A. Krajnc, M. Mazaj, A. Ristic, K. Vanatalu, A. Oss, A. Samoson, V. Kaucic and G. Mali (2016) New J. Chem., 40, 4178–4186.
[5] D. Bibby, N. Milestone, L. Aldridge (1979) Nature 280, 664–665
[6] V. Sánchez-Gil, E. G. Noya, J. M. Guil, E. Lomba, S. Valencia, I. da Silva, L. Pusztai, L. Temleitner (2016, J. Phys. Chem. C, 120, 4, 2260–2270
[7] O. Terasaki, T. Ohsuna, H. Sakuma, D. Watanabe, Y. Nakagawa and R.C. Medrud (1996) Chem. Mater., 8, 463–468.

ACKNOWLEDGEMENTS
The authors thank the financial support of the Spanish Ministry of Science and Innovation (CEX2021–001230-S and PID2022-136934OB-100 grants funded by MCIN/AEI/10.13039/ 501100011033 funded by “ERDF A way of making Europe” and TED2021-130191B-C41 grant funded by the European UnionNext Generation EU/PRTR) and the Generalitat Valenciana (Prometeo 2021/077 and CIPROM/2024/050).

Speaker: Dr Jose L. Jordá (Instituto de Tecnología Química (UPV-CSIC))

14 BL06-XAIRA Microfocus Beamline: Technical Capabilities, Data Collection and Processing Workflows and Learnings From First Year of User Operation

The BL06-XAIRA beamline is the microfocus macromolecular crystallography (MX) instrument at the ALBA synchrotron, that just accomplished its first year of User Operation.
XAIRA currently delivers a highly stable, intense X-ray beam of 4 × 3 µm2 (FWHM at 1 Å wavelength) in the energy range of 4.0 to 14 keV, specifically tailored for demanding structural biology projects. This high-flux beam is paired with a state-of-the-art Dectris Eiger2 XE 9M photon-counting detector capable of acquiring data at frame rates up to 1 kHz. This configuration enables rapid data collection and supports time-resolved serial synchrotron crystallography (SSX) experiments within the millisecond regime.
Another differential trait of XAIRA is its specialized end-station chamber, in which the entire experimental setup —including the sample environment, detector, and cryostream— is enclosed within a controlled helium atmosphere. Operating in helium prevents flux attenuation at low energies and, more importantly, drastically reduces background noise from air scattering, improving the signal-to-noise ratio of diffraction images, at all beam energies. The chamber design, though, maintains full compatibility with standard MX sample formats and conventional operation in air.
Since welcoming its first official users in July 2025 and its transition into full operation, XAIRA has demonstrated its value for challenging structural biology projects. Here we present the learnings from this first year of operation, presenting case examples of successful results and describing how the beamline can be used to obtain the best data set for different types of challenging samples, and how the automated data processing software is used to provide immediate feedback and guide the data collection decision-making.
We will also present the foreseen upgrades to be implemented in the upcoming ALBA2 Beamlines Upgrade Plan, which will improve both the beamline optics system and the End Station capabilities.

Speaker: Damià Garriga Rigau

15 BL16 NOTOS: A Multimodal Operando XAS and XRD Beamline for Catalysis and Energy Materials Research

BL16 NOTOS bridges the gap between X-ray Absorption Spectroscopy (XAS) and X-ray Diffraction (XRD) by enabling sequential, quasi-simultaneous measurements on a single sample. This multimodal approach provides a comprehensive picture of material evolution: operando XAS offers element-specific sensitivity to monitor oxidation states and local coordination changes, while operando XRD provides direct evidence of long-range structural transformations, phase transitions, and lattice strains. Correlating these electronic and structural dynamics is vital for elucidating fundamental structure-function relationships and failure mechanisms across diverse scientific disciplines. This is particularly crucial in catalysis and energy materials research, where understanding complex electrochemical processes during operation is essential for improving performance and lifespan.

To facilitate these advanced studies, NOTOS features an extensive sample environment pool equipped with specialized multi-cell battery supports, high-temperature catalysis reactors, and real-time gas and liquid analysis systems.

Further enhancing its technical capabilities, the commissioning of the Kirkpatrick-Baez (KB) mirror system was successfully concluded in July 2026. This new micro-focus station delivers a stable, micro-focused beam, reaching spot sizes as small as 10 x 10 μm² (VxH) at the sample position. In the InCAEM (In Situ Correlative Facility for Advanced Energy Materials) framework, this instrument will open significant possibilities for correlative in-situ and operando experiments: researchers will study the identical sample area across NOTOS and the Scanning Transmission Electron Microscope in JEMCA, obtaining complementary information at multiple length scales without sample alteration.

Speaker: Carlo Marini

16 Blended electrodes for lithium-ion batteries and the effect of temperature: an operando XRD–XAS study

Combining two active materials in a single electrode is an established strategy to improve lithium-ion battery performance, reduce cost, and tailor properties such as the voltage profile and thermal stability [1,2,3]. Many commercial EVs employ blended positive electrodes (e.g., NMC–LMO, where NMC is LiNiₓMnᵧCozO₂, x+y+z = 1, and LMO is LiMn₂O₄) and negative electrodes (e.g., silicon–graphite). However, the origin of the synergistic behavior of blends remains poorly understood, and their design is largely empirical. Furthermore, very few studies address the effect of temperature on such systems, a critical factor, since EV batteries must operate over a wide and constantly varying temperature range.
Here we investigate the temperature dependence of the reaction mechanism in NMC–LMO blended cathodes, one of the most commercially relevant blend chemistries. Operando synchrotron X-ray diffraction at the MSPD beamline and operando X-ray absorption spectroscopy at the CLAESS beamline were performed on 3 coin cells at 0ºC, 25ºC and 45ºC. XRD follows the structural evolution of each phase individually as seen in Figure 1 for NMC (003) and LMO (111) reflections. In the XANES data the Mn K-edge was analyzed by multivariate curve resolution (MCR) the redox response of which is dominated by LMO. Both techniques reveal a clear alteration of the reaction mechanism with temperature. At elevated temperature, NMC shows a more solid-solution-like behavior on both charge and discharge, as well as a larger c-axis contraction at the end of charge, which could impact its structural stability upon extended cycling. At 0 °C, the LMO (111) reflection develops a markedly broader distribution of lattice parameters, indicating a more inhomogeneous reaction across the electrode (Figure 1). Most strikingly, both XRD and the MCR-resolved XANES components (Figure 2) show that at 0 °C, during the first charge, it is LMO that reacts first, despite operating at higher potentials and therefore being expected to react at a later stage. To the best of our knowledge, this temperature-induced inversion of the reaction sequence has not been previously reported.
These results provide mechanistic insight into how blended electrodes function away from ambient conditions, contributing to both the fundamental understanding of such synergistic systems as well as testing the systems in conditions closer to their real applications. In addition, this study serves as a proof of concept for the simultaneous measurement of three coin cells at three different temperatures, with a setup [4] adapted to both MSPD and CLAESS, increasing the throughput and ease of temperature-dependent operando studies.

Figure 1: Operando X-ray diffraction patterns showing the (003) reflection of NMC (lower angles) and the (111) reflection of LMO (higher angles). A clear difference in the reaction mechanism is observed as temperature is varied.

Figure 2: Left: MCR-ALS spectral components resolved from the operando Mn K-edge XANES. Middle and right: concentration profiles of the two components during cycling of NMC–LMO cells at 0 °C, 25 °C, and 45 °C, together with a pure LMO reference.
References
[1] J. Smith et al 2012 J. Electrochem. Soc. 159 A1696
[2] Hideki Kitao et al 2005 Electrochem. Solid-State Lett. 8 A87
[3] ACS Appl. Mater. Interfaces 2016, 8, 31, 20147–20156
[4] R. G. Houdeville et al 2024 J. Electrochem. Soc. 171 020533

Speaker: Dimitrios Chatzogiannakis

17 Bridging Biological Scales with BL31-FaXToR at the ALBA Synchrotron

Within the ALBA Life Sciences Section, current efforts focus on establishing a multi-scale, multi-technique imaging strategy to map biological systems across hierarchical levels—from cells to tissues, and from tissues to whole organisms. The Fast X-ray Tomography and Radioscopy beamline (FaXToR) is central to this vision, offering a dedicated hard X-ray µCT instrument for morphological characterization at the micrometer and sub-micrometer scales within large biological volumes. Operating at 8–70 keV with high photon flux and flexible detection configurations, FaXToR supports both static and time-resolved imaging to track dynamic physiological processes, biomaterial interactions, and pathological micro-architecture. In addition to propagation-based phase-contrast imaging, the beamline incorporates differential phase and dark-field imaging via Talbot grating interferometry. These modalities significantly enhance sensitivity in weakly absorbing soft tissues, enabling the non-destructive visualization of micro- and nano-structural features crucial for preclinical and fundamental medical research. By utilizing the beamline's multi-scale detection system, researchers can seamlessly bridge organ-level morphology with sub-micron structural detail. This presentation will highlight FaXToR’s emerging bioimaging capabilities, correlating them with the broader multimodal X-ray approaches in the ALBA portfolio. Furthermore, we will demonstrate how combining complementary phase-contrast modalities provides richer insights into tissue organization and function. Looking ahead, planned upgrades toward a 4th-generation synchrotron and expanded phase-contrast techniques will further strengthen ALBA's life-science imaging pipeline, unlocking unprecedented opportunities for dynamic, high-sensitivity biological characterization.

Speaker: Caori Organista Castelblanco

18 Bridging Structure and Chemistry: A Next-Generation Multi-Analytical Facility for Environmental, Agro-Food, and Health Research

X-ray Absorption Spectroscopy (XAS) is gaining rapidly growing interest in environmental and food-related research because it provides element-specific, atomic-scale insight into complex, real-world materials—a capability few other techniques can offer. This makes XAS uniquely suited for studying contaminants, nutrients, catalysts, and structural changes in biological, agro-food matrices, and health-related tissues.
In this work, several examples are presented to highlight this approach:
1 Agro-food Systems: Advancing food traceability, characterizing functional and premium food matrices, and identifying early-stage biomarkers in plant pathologies.
2 Biomedical & Health Sciences: Elucidating biomineralization pathways, including the ultrastructural analysis of dental tissues, nephrolithiasis (kidney stone formation), and myositis ossificans (muscle calculi).
These case studies underscore the necessity of a multi-modal and multi-scale framework that integrates high-resolution Electron Microscopy (EM) with synchrotron-based Macro/Micro-Spectroscopy and Micro-Diffraction. Ultimately, we demonstrate how such integrated instrumentation is critical for correlated, non-destructive investigations—combining atomic/subatomic morphological resolution with micrometer-scale chemical and structural characterization—to advance a state-of-the-art multi-analytical approach capable of bridging the gap between morphology and localized chemical species.

Speaker: Prof. Manuel Valiente (Universitat Autònoma de Barcelona)

19 Cathode Evolution in Aqueous Zn–MnO₂ Batteries Studied by Operando Synchrotron XRD

Aqueous Zn–MnO₂ batteries involve complex reaction processes during operation, including deposition/dissolution of the MnO₂-based electrode and zinc-containing species, and possible generation of side products. Understanding these material transformations under working conditions is essential for clarifying the reaction mechanism and degradation pathways of this battery system.
In this work, operando synchrotron X-ray diffraction was used to investigate the cathode evolution of aqueous Zn–MnO₂ batteries during electrochemical cycling. The XRD data provides direct structural information on the appearance, disappearance, and evolution of crystalline phases during battery operation. However, their interpretation is challenging due to the highly defective nature of MnO₂, the strongly crystalline zinc-containing by-products, and background contributions from the operando cell. Intense reflections from zinc hydroxysulfate-related species can mask weaker diffraction changes associated with the MnO₂ electrode and other evolving phases.
To assist the analysis, Multivariate Curve Resolution was used as a data-preprocessing tool rather than as a direct phase-identification method. MCR was applied to separate the dominant zinc hydroxysulfate-related diffraction contribution, which was then subtracted from the original patterns according to its evolution profile, followed by intensity renormalization to reduce background distortions. This treatment improves the visibility of weaker and broader diffraction peaks. The highlighted changes indicate relevant composition evolution of the Mn oxide during electrochemical cycling. This effect overlaps with the expected deposition-dissolution mechanism, which would simply show changes in intensity. These experiments expand our understanding of the dynamic material evolution in aqueous Zn–MnO₂ batteries.

Speaker: Yan Gao (ICMAB-CSIC)

20 CIRCE-NAPP: An Advanced Near-Ambient Pressure X-ray Photoelectron Spectroscopy Beamline for Operando Surface and Interface Studies

Go through the attached file

Speaker: Ravi Ranjan

21 CLAESS: the ALBA tender-hard x-rays spectroscopy beamline, current status and future perspectives

Since 2013 CLAESS offered access to x-ray absorption and x-ray emission spectroscopy to a wide user community, running in a regime of around 50 experiments per year, most of them addressing key social challenges. The main focus on catalysis, energy related materials, environmental science, and solid-state physics resulted in the development of dedicated setups, optimized experimental strategies, and staff member scientific experience in the respective fields.

The gained experience, together with some users’ necessities allow to identify, in the incoming ALBA II upgrade, interesting opportunities. Indeed, in the framework of the machine upgrade an upgraded CLAESS beamline could significantly expand its capabilities by providing nearly simultaneous access to μXRF, μXAS, and μXES with micrometer spatial resolution and ~1 s full-scan acquisition times.

The proposed upgrade includes new optics, a faster monochromator and sample stage, together with enhanced standard fluorescence detection and highly efficient X-ray emission spectrometers. These improvements will enable high-throughput operando and in-situ experiments with 100-fold better time resolution while minimizing radiation damage. Moreover, both environmental science and solid-state physics will profit of the higher space resolution allowing experiments which are currently requesting access to other facilities. Finally, enhanced detection limits will further extend applications to diluted systems.

The upgraded CLAESS beamline is expected to strongly support ALBA II’s key pillars — multi-modal and multi-scale programs, high-throughput techniques, and operando/in-situ studies — with direct impact on research in renewable energy, green catalysis, batteries, environmental science, and food security, and will enhance ALBA’s competitiveness for studies of heterogeneous and dynamic systems under realistic working conditions.

Speaker: Vlad Martin-Diaconescu

22 Computational redesign and structural validation of a quorum-quenching lactonase with altered substrate specificity

Bacterial quorum sensing (QS) is a cell-to-cell communication with a central role in the virulence of several high-priority pathogenic bacteria, such as Pseudomonas aeruginosa or Acinetobacter baumannii. Degradation of the mediator signal, N-acyl-L-homoserine lactones (AHLs) in Gram-negative bacteria, is an attractive approach to develop alternative antibacterial treatments. Moreover, different pathogens produce different variants of AHLs, which vary on the acyl chain length and/or oxidation state of the C3, which could potentially open the possibility for tailored interventions.

Several natural lactonases can hydrolyze AHLs, although they are usually low-specificity and/or do not possess appropriate biophysical properties such as thermostability, proteolytic resistance or pH tolerance. Even though enzymes possess an enormous structural flexibility that permits to adapt them to new functions and properties, this same flexibility and complexity make their rational redesign highly challenging, even with the recent and continuous advances in experimental and -especially- computational approaches

To overcome these challenges, we developed a computational-experimental framework for enzyme design and optimization integrating biochemical validation experiments into a fully customizable, computational pipeline to generate an iterative refinement process. Starting from AidH, a structurally-known broad-spectrum, non-thermostable lactonase, we computationally generated 15 optimized designs that combine backbone redesign (RFDiffusion3) of the substrate entry pocket with an iteratively optimized sequence (LigandMPNN, AlphaFold3, Rosetta, and PLACER) for the redesigned region biasing substrate preference toward short-chain AHLs, as well as evaluating the substrate stability in the active site using molecular dynamics simulations. Experimentally, we established a bioassay to evaluate the activity of these enzymes and validate it with the wild-type AidH and the catalytically inactive variant AidHS102G. We now aim to biochemically characterize and structurally resolve these variants to obtain a deeper understanding on the structural determinants of substrate specificity to allow rational, substrate-specific redesign of lactonases targeting the AHL profiles of priority pathogens.

Speaker: Mario López Martín (IBMB-CSIC)

23 De novo design of antibody-like proteins with tunable and activable frameworks

De novo protein enables the creation of novel structures of stable protein structures that exceed those found in nature. However, designing antibody-like scaffolds that combine stability with functional versatility remains a major challenge, constrained by the conserved β-sandwich architecture of immunoglobulin (Ig) domains and designing functional loop regions.
Our group has developed hyperstable, non-natural Ig-domain dimers, validated by X-ray crystallography, that act as robust frameworks for functional loop insertion. Building on these validated scaffolds, we are exploring the possibility of engineering two-domain Ig scaffolds to contain functional cavities at the interface between domains with antigen recognition loops. We hypothesise that the controlled incorporation of small-molecule binding pockets and antigen-binding loops will generate stable and controllable frameworks for performing programmable binding functions.
To address this issue, we are implementing a multi-step computational pipeline for designing a library of Ig-domain pairs with engineered inter-domain pockets and exploring the de novo antigen-binding loop design in those validated two-domain Ig frameworks. AI-based and physic-based tools are used for backbone - sequence design, structure prediction, modelling and interface optimization, followed by in silico evaluation. The most promising candidates will be recombinantly expressed in E. coli and experimentally characterized using SEC-MALS, circular dichroism, SPR/BLI, and X-ray crystallography to validate their structure and function. This will establish a versatile platform for future immunoglobulin-like scaffolds customized to bind protein targets of medical interest.

Speaker: Joana Albi Puig (IBMB-CSIC)

24 Development of a custom-built Atomic Layer Deposition reactor for in situ synchrotron GISAXS and XAS characterization

The high photon flux and energy tunability of synchrotron facilities provide a clear advantage for the characterization of Atomic Layer Deposition (ALD) processes. A mobile custom-built ALD reactor (ALD2) has been developed at the ALBA Synchrotron to enable in situ monitoring of film growth using, up to now, two X-ray-based techniques: Grazing Incidence Small Angle X-ray Scattering (GISAXS) at NCD-SWEET (BL11) and X-ray Absorption Spectroscopy (XAS) at NOTOS (BL16).
The setup consists of a high-vacuum, pump-type reactor compatible with multiple precursors and oxidants, therefore enabling the combination of different ALD coatings during the same experiment. It achieves a base pressure of 10–6 mbar (limited by the semi-transparent windows used for the X-ray measurements, i.e. Kapton and mica) and can also operate under rough vacuum (10–3-10–2 mbar). The mobile reactor is a modular system that can be accommodated for different specific geometries: for GISAXS, two CF40 flanges with 50 µm-thick mica windows allow the passage of incident, reflected and scattered X-rays along the beam direction, being recorded with the SAXS detector (Pilatus3 S 1M) placed at 6.5 m; while for XAS, the two CF40 are rearranged in a perpendicular orientation in the horizontal plane and changed by 25 µm-thick Kapton windows, enabling measurements covering all the beamline energy range (4.7 - 30 keV), with the fluorescence detector used (Silicon Drift Detector with 13 channels from Canberra Olen) which is located at 90° with respect to the X-ray beam (and the sample at around 30° with respect to the incident beam).
The reactor was validated with in situ deposition of TiO2 thin films using the TTIP/H2O at 100, 150 and 200 °C as a deliberately demanding test case given its low growth per cycle (0.17 Å·cycle⁻¹). At NCD-SWEET, real-time GISAXS monitoring over 1000 ALD cycles resolved the progressive evolution of film morphology through model-independent analysis of the diffuse scattering signal, capturing the full sequence from the first cycles to steady-state growth. At NOTOS, in situ Ti K-edge XANES analysis of the edge jump evolution quantitatively identified three kinetically distinct growth regimes, with linearity in the steady-state regime confirming the self-limiting character of the process. The combination of both techniques provides a detailed picture of TiO2 ALD growth dynamics: with XAS capturing early chemical nucleation and GISAXS tracking morphological evolution, demonstrating the potential of the ALD2 reactor for multi-technique in situ characterisation of ALD processes at ALBA Synchrotron.

Speaker: Marina Armengol Profitós

25 Disentangling Local Structural and Electronic Fluctuations in Trigonal PtBi₂

Trigonal PtBi₂ has emerged as a compelling platform for studying the interplay between crystal symmetry, topology, and superconductivity [1,2,3]. In this noncentrosymmetric Weyl semimetal, the absence of inversion symmetry and strong spin–orbit coupling give rise to topological surface states, while superconducting signatures appear to be strongly inhomogeneous from the nano- to the microscale and, remarkably, confined to the surface Fermi arcs [4,5]. This unusual behavior suggests that the superconducting properties of PtBi₂ may be intimately linked not only to its electronic topology, but also to subtle structural distortions and local symmetry breaking within its layered lattice. Understanding how these local structural degrees of freedom evolve is therefore essential for clarifying the origin of its unconventional superconducting response.
This complex scenario requires a combined approach capable of disentangling the structural and electronic ingredients that contribute to the unique behavior of PtBi₂. In this work, we use temperature-dependent X-ray absorption spectroscopy (XAS) and submicron spatially resolved angle-resolved photoemission spectroscopy (nanoARPES) to correlate local structural distortions with the surface electronic properties. The XAS results reveal an anomalous temperature evolution of the local atomic environment, characterized by two distinct upturns around 200 K and 60 K, possibly indicating the onset of competing or intertwined ordering tendencies that shape the low-temperature properties of PtBi₂. Notably, recent scanning tunneling spectroscopy and second harmonic generation studies have suggested that the anomaly near 60 K may be connected to real onset of surface superconductivity, whose spectroscopic signatures are otherwise detected at much lower temperatures [6,7]. Complementary nanoARPES measurements further reveal spatial fluctuations of the surface electronic states that correlate with local variations of the Bi-terminated surface, with a distinct change in the electronic response across the 60 K anomaly. These results point to a close connection between local lattice distortions, surface electronic inhomogeneity, and the unconventional superconducting phenomenology of trigonal PtBi₂.

References:
[1] K Takaki et al. (2022). Journal of the Physical Society of Japan, 91(3), 034703.
[2] A. Kuibarov et al. (2024). Nature, 626(7998), 294-299
[3] S. Changdar et al.. (2025).. Nature, 647(8090), 613-618.
[4] S. Palumbo et al. (2025). Phys. Rev. B, 112(20), 205125
[5] S. Schimmel et al. (2024). Nature Communications, 15(1), 9895
[6] B. Chavez et al. (2023). Physical Review B, 108(22), 224104
[7] J. Besproswanny et al. (2025). arXiv preprint arXiv:2507.10187.

Speaker: Francesco Minati (Sapienza University of Rome)

26 Disentangling Mn-Ni Redox Coevolution in Battery Cathodes via Correlative Operando XAS

Improving the performance of rechargeable batteries in terms of energy density, lifetime, and reliability requires a detailed understanding of the electrochemical processes governing electrode behaviour at the atomic and electronic scales. Charge compensation in layered oxide cathodes typically involves multiple redox-active centres, most notably transition metals such as Mn and Ni, whose relative contributions evolve throughout cycling and are difficult to disentangle using single-edge or single-technique analyses.

Here, we present a correlative operando framework that tracks the coupled evolution of Mn and Ni redox activity by applying Multivariate Curve Resolution (MCR) to X-ray Absorption Spectroscopy (XAS) data. Operando Mn and Ni K-edge XAS datasets are each independently decomposed via MCR into chemically meaningful spectral components and their associated concentration profiles. These profiles are then time-synchronized and plotted against one another, allowing the Mn-Ni relationship to be read directly from the shape of the resulting trajectory: periods of coordinated redox activity appear as linear segments, with the slope reflecting the relative rate of Mn versus Ni evolution, while periods in which one metal remains redox-inactive while the other continues to evolve appear as flat, decoupled segments.

Applied to Li- and Na-based layered oxides, this approach reveals a sequence of distinct linear regimes with characteristic slopes, separated by transitions that mark changes in charge-compensation mode across the state of charge, features that are not evident from absolute spectral analysis of either edge alone. We demonstrate this across 14 operando datasets generated through extensive, long-term worldwide collaborations, showing that by working in the space of relative component coevolution rather than absolute spectral change, this correlative MCR approach is inherently robust to experimental noise and material-specific spectral features, offering a transferable intermediate step between raw operando data and mechanistic interpretation of redox dynamics in battery electrodes.

Speaker: Pol Pérez Quer

27 Element-specific and real-space view of complex magnetism in the kagome Weyl semimetal Co3Sn2S2

Co3Sn2S2 is a prototypical magnetic kagome Weyl semimetal in which broken time-reversal symmetry, strong spin–orbit coupling, and kagome-derived electronic structure generate a large Berry-curvature-driven response, resulting in an unusually large intrinsic anomalous Hall conductivity [1]. Since the Weyl-node configuration and the associated Berry curvature depend sensitively on the magnetic state, a microscopic understanding of the magnetism is essential [2].
Here, we show using pulsed-field x-ray magnetic circular dichroism (XMCD), bulk magnetometry, and inelastic neutron scattering that Co3Sn2S2 exhibits exceptionally large magnetocrystalline anisotropy despite the largely quenched Co orbital moment. This suggests that the anisotropy cannot be explained within a simple single-ion picture alone, but may instead reflect the combined effect of kagome-derived bands near the Fermi level, Co-Sn hybridization, and the stronger spin-orbit coupling of Sn. Element-specific XMCD further reveals a small antiparallel Sn moment, consistent with DFT and indicative of weak ferrimagnetism, likely originating from Co-Sn hybridization. In addition, scanning transmission x-ray microscopy shows that anomalous discontinuities in field-history-dependent magnetization originate from rapid domain nucleation followed by domain evolution. Our results establish microscopic constraints on the magnetic state of Co3Sn2S2, which are essential for understanding the stability of its Weyl phase and the origin of its large anomalous Hall effect.

Speaker: Abdul-Vakhab Tcakaev (EP IV, Fakultät für Physik und Astronomie, Universität Würzburg, Am Hubland, D-97074 Würzburg, Germany)

28 Engineering Cellular Nanomachines: Integrative Structural Biology and Multimodal Characterization of Functionalized Bacterial Flagella.

Bacterial flagella are remarkable, highly sophisticated organelles primarily evolved for motility. These complex structures are composed of thousands of protein subunits, specifically flagellin, arranged in a helical filament. Intrigued by our discovery that several bacterial species naturally possess proteolytic domains on their flagellar surface, effectively transforming their flagella into massive proteolytic machineries, we are employing synthetic microbiology and structural protein engineering to systematically repurpose these ubiquitous bacterial appendages.

Our overarching goal is to augment structural flagellins with a diverse range of novel enzymatic or binding functions, creating programmable cellular nanomachines capable of performing specific tasks. To achieve this, we rely on a robust integrative structural biology pipeline. By combining high-resolution macromolecular crystallography (MX) of individual functional domains—utilizing ALBA’s XALOC and XAIRA beamlines—with single-particle cryo-electron microscopy (JEMCA) of the assembled filaments, we can precisely control the display of these engineered functionalities.

We are currently focusing our efforts on expanding this platform to explore novel bacterial surface modifications and optimize the efficiency of our engineered systems. Looking toward the enhanced multimodal imaging capabilities of ALBA II, we plan to leverage soft X-ray cryo-tomography (MISTRAL) to investigate our engineered cellular nanomachines in situ. This will allow us to visualize their spatial distribution, assembly states, and host-target interactions directly within their native cellular environment. Our long-term vision is to develop a versatile, structurally-guided platform for creating custom-designed bacteria for targeted biotechnological and biomedical applications.

Speakers: Ms Eva Estevan Morió (IBMB-CSIC), Ms Mirea Mema (IBMB-CSIC)

29 FaXToR: The new Fast X‑ray Tomography and Radioscopy beamline at the ALBA synchrotron

The Fast X‑ray Tomography and Radioscopy (FaXToR) beamline at the ALBA synchrotron is a dedicated beamline for high‑speed micro‑tomography in the hard‑X‑ray regime (10–70 keV). Powered by a short in‑vacuum multipole wiggler, FaXToR delivers both filtered white and monochromatic beams with a maximum transverse size of 36 mm × 14 mm at the sample position, located 36 m downstream from the source. The endstation is designed for versatile, multiscale investigations: a suite of detectors enables simultaneous acquisition at differing spatial and temporal resolutions, and it can accommodate user provided in‑situ apparatuses (compression rigs, climatic and cryogenic chambers) to facilitate controlled environment experiments. Integration of a grating interferometer provides differential phase‑contrast and dark‑field channels, enhancing sensitivity to low‑density structures with reduced radiation dose.

FaXToR’s fast data handling and on‑the‑fly 3D reconstruction pipelines support sub‑second full‑tomography acquisition, meeting the demands of high‑throughput and dynamical studies. The beamline serves a broad community across medical and pharmaceutical research (neuro‑imaging, gynecological, liver, bone, cartilage, cardiovascular, and lung imaging), metal‑based theranostics (quantitative 3D biodistribution of nanoparticles), food and agriculture (non‑destructive plant, seed, soil, and product analysis), geoscience (fracture propagation and deformation in volcanic rocks), energy storage (real‑time lithium‑ion dynamics, solid–electrolyte interphase formation, dendrite growth), metal foams and structural materials (porosity, fluid flow, manufacturing processes), and additive manufacturing (operando process‑property mapping). By offering a large field of view, high temporal resolution, and multimodal imaging options, FaXToR enables full multiscale sample characterization from sub‑micron to millimeter scales. This work outlines the beamline layout, source properties, commissioning results, and the strategy for delivering a multiscale user experience at FaXToR and the future plans for improvements of the beamline and user experience

Speaker: Federico Cova (ALBA CELLS)

30 From Molecules to Tumor Architecture: Multiscale Synchrotron Imaging and Spectroscopy for Decoding Glioblastoma Biology and Therapy

Glioblastoma (GBM) is among the most aggressive and heterogeneous human cancers, characterized by complex molecular alterations, extensive cellular diversity, and limited therapeutic options. Understanding GBM progression and treatment response requires analytical approaches capable of connecting molecular composition with cellular organization and tissue-like complexity across multiple biological scales.

In this work, we demonstrate the potential of complementary synchrotron-based imaging and spectroscopy approaches to investigate glioblastoma from single cells to three-dimensional (3D) tumor models, including multicellular spheroids and organoid systems. X-ray fluorescence imaging, soft X-ray microscopy, and synchrotron radiation-based FTIR (SR-FTIR) spectromicroscopy were combined to characterize elemental distribution, cellular ultrastructure, and biochemical composition in near-native conditions. These multimodal approaches revealed tumor-associated alterations in elemental homeostasis, cytoskeletal organization, and key biomolecular components, including proteins, lipids, and nucleic acids, providing new insights into GBM heterogeneity across different biological scales.

Synchrotron-based methods were further applied to investigate a nanomedicine strategy using carbon dots derived from 2-acrylamido-2-methylpropanesulfonic acid (AMPS-CDs) as a delivery platform for riluzole, a compound with potential anticancer activity. Comprehensive characterization using FTIR, XPS, NMR spectroscopy, and cryo-transmission electron microscopy demonstrated the surface chemistry and functional groups responsible for the nanoparticles’ biocompatibility and drug-loading capability. The AMPS-CDs@riluzole system enhanced selective cytotoxic effects in GBM cells while maintaining low toxicity of the carrier itself.

Live-cell SR-FTIR microspectroscopy enabled in situ monitoring of molecular responses following treatment, revealing alterations in DNA, protein secondary structures, and lipid metabolism. Extending these studies from conventional cell models toward 3D spheroids and organoids provides a more physiologically relevant platform to investigate tumor architecture, microenvironmental effects, and therapeutic responses.
By integrating synchrotron-based structural, chemical, and imaging approaches across multiple length scales—from molecules and organelles to single cells and 3D tumor models—this work highlights the unique capability of synchrotron facilities to advance mechanistic understanding of cancer biology, identify molecular biomarkers, and support the development of targeted therapeutic strategies in precision oncology.

1. Dučić, T., Pereiro, E., Ninkovic, M., Sperling, S., Rohde, V.,
   Fernández-González, C., Algarra, M., González-Muñoz, E., 2025,
   Journal of Nanobiotechnology, 23(1):629.
   https://doi.org/10.1186/s12951-025-03687-2
2. Algarra, M., et al., 2024, ACS Omega, 9(12):13818–13830. https://doi.org/10.1021/acsomega.3c08459
3. Dučić, T., et al., 2026. 3D Glioblastoma Molecular Responses to Carbon Dot–Delivered Riluzole Probed by Synchrotron FTIR. Analytical
   Chemistry, 98(17), 12775–12789.
   https://doi.org/10.1021/acs.analchem.6c00176

Speaker: Tanja Ducic

31 From stability to function: Structural buttressing as a de novo design strategy for NTF2-like scaffolds

NTF2-like proteins are compact α+β fold domains with cone-shaped architectures and internal pockets that provide versatile scaffolds for the de novo design of ligand-binding proteins and enzymes. A persistent challenge, however, is that engineering functional binding pockets often destabilizes the protein, creating a trade-off between stability and function. Here, we show that this trade-off can be overcome through structural buttressing. By computationally designing α-helical subdomains or homodimer interfaces that reinforce the convex face of the NTF2 β-sheet, we expand the hydrophobic core while preserving access to the functional pocket on the concave face.

Biochemical, biophysical, and crystallographic characterization demonstrates that these buttressing elements stabilize the designed fold while increasing pocket preorganization, yielding ligand-binding sites with enhanced affinity without compromising accessibility. Importantly, the effects of buttressing extend beyond molecular recognition. When applied to the de novo luciferase LuxSit-i, the same structural stabilization fundamentally remodels the enzyme's catalytic behavior. Rather than exhibiting the rapid flash kinetics characteristic of most natural and engineered luciferases, buttressed variants display a progressive increase in light output that reaches a sustained steady-state plateau before gradually decaying. The duration and stability of this plateau scale with substrate concentration, revealing a Michaelis–Menten-like kinetic regime that supports continuous, predictable luminescence for real-time biosensing.

These findings identify structural buttressing as a general design principle that couples protein stability to functional optimization across multiple levels of protein behavior. By stabilizing the scaffold, preorganizing the ligand-binding pocket, and reshaping the catalytic energy landscape, buttressing enables the simultaneous programming of stability, affinity, and enzyme kinetics, providing a versatile framework for the next generation of de novo binders and biocatalysts.

Speaker: Carlos Josué Alvarez Quispe (IBMB-CSIC)

32 Highly Emissive Lanthanide-Decorated Metal–Organic Frameworks for the Detection and Capture of Organic Pollutants

The serious problems derived from the presence and accumulation of organic pollutants in waters has led in recent years to the use of new porous materials for their detection and capture [1]. Metal-Organic Frameworks (MOFs) have emerged as ideal candidates for such purposes due to their high permanent porosity, stability and great chemical versatility, including the potential for post-synthetic modifications [2]. In this work [3], zirconium(IV) and hafnium(IV) analogues of the MOF families MOF-808 and MIP-206 were synthesized and post-synthetically functionalized with europium(III) ions. The resulting materials combine the MOFs’ inherent stability and porosity with the exceptional luminescent properties provided by the Eu(III) ions [4], leading to dual-functional MOFs suitable for the simultaneous capture and optical sensing of organic molecules in water. Namely, the ability of these MOFs to capture and detect amoxicillin and chloramphenicol antibiotics in water was evaluated, demonstrating promising potential for water remediation applications.
The local structure of the post-synthetic Eu(III)-modified materials was also studied employing advanced synchrotron techniques, elucidating the exact coordination environment of the Eu (III) ions. These techniques included X-ray pair distribution function (xPDF) [5] and XAS analysis (Zr K-edge and Eu L3-edge measurements) performed at BL-16 NOTOS beamline in ALBA [6]. Additional in situ XAS spectra, recorded during pollutant capture in water, allowed monitoring of the pollutant∙∙∙MOF´s cluster interactions taking place during the process [7].
This work demonstrates how the synchrotron techniques employed can also serve as indispensable structural study tools for understanding specific host-guest interactions in MOFs, providing insights into the mechanistic aspects and the nature of the chemical processes involved.

[FIGURE 1]:Representation of the inorganic M6O8 (M=Zr or Hf) clusters in MIP-206 and MOF-808 and the chemical formula of chloramphenicol and the amoxicillin, and the k2-weighted Zr K-edge EXAFS for Zr-MOF-808 and Zr-MIP-206 series.

References:
1. Homem, V.; Santos, L. J. Environ. Manage. 2011, 92, 2304–2347.
2. Howarth, A. J.; Liu, Y.; Hupp, J. T.; Farha, O. K. CrystEngComm 2015, 17, 7245–7253.
3. Roselló-González, M.; Loukopoulos, E.; Marini, C.; Gil-San-Millan; R.; Platero-Prats, A. Chemrxiv, 2026, doi.org/10.26434/chemrxiv.15005663/v1
4. DeCoste, J. B.; Peterson, G. W.; Jasuja, H.; Glover, T. G. ; Huang, Y.; Walton, K. S. J. Mater. Chem. A 2013, 1, 5642.
5. Romero-Muñiz, I.; Loukopoulos, E.; Xiong, Y.; Li, F.; Ab, Z.; Platero-Prats, A. E. Chem. Soc. Rev. 2024, 53, 24, 11772–11803.
6. Castillo-Blas, C.; Romero-Muñiz, I.; Mavrandonakis, A.; Simonelli, L.; Platero-Prats, A. E. Chem. Commun. 2020, 56, 100, 15615–15618.
7. Marugán-Benito, S.; Vlachos, M.; Ahrens, L.; Roselló-González, M.; Marini, C.; Prat Albert, J.; Mavrandonakis, A.; Loukopoulos, E.; Platero-Prats, A. E. J. Am. Chem. Soc. 2026, 148, 19, 19672–19683.

Speaker: Miguel Roselló González (Instituto de Catálisis y Petroleoquímica (ICP-CSIC))

33 Imaging light-induced effects on multiferroic heterostructures in PEEM

Please see the attached PDF file.

Speaker: Deepak Dagur

34 Integrative structural characterization of antibiotic resistance mechanisms at ALBA synchrotron. Rap and Rco, a bacterial two-factor response regulator with tumor suppressor p53 characteristics.

Antibiotic resistance causes over one million deaths annually worldwide and poses an increasing threat to healthcare systems. Its rapid spread is largely driven by horizontal gene transfer (HGT) through bacterial conjugation, a process that disseminates resistance and virulence genes. In Bacillus subtilis, gene expression from conjugative plasmid pLS20 is regulated by a two-factor response regulator composed by the anti-repressor Rap and the repressor Rco. Our group discovered that this regulatory system shares marked structural similarity with the main tumor suppressor p53 family related proteins.
We present the first structure of the Rap/Rco, obtained at BL-13 XALOC (ALBA synchrotron, Spain), together with CryoEM data obtained at Glacios 200kV in JEMCA (ALBA synchrotron, Spain) and at EBIC (Diamond light source, UK). Our structures describe the mechanism for Rap anti-repression and Rco release upon Rap tetramerization. Biophysical characterization confirms that Rco repressor keeps a p53-like architecture both in its repressive form and when bound to Rap anti-repressor. AI-guided tool Foldseek further expands the structural similarities to other p53 related proteins. Finally, in vivo complementation assays show that Rco rescues the function of the Caenorhabditis elegans p53 homolog.
These results define the molecular determinants underlying the Rap-mediated control of bacterial conjugation and antibiotic resistance, and further highlight the structural similarities of this regulatory strategy across species. This work takes advantage of ALBA capabilities as a facility for integrative structural biology. In the future, this project will be benefitted by the new instruments that will be developed in parallel to the ALBA-II project, like 300kV cryoET and BioSAXS beamline CALIMA, to bridge the resolution gap between atomic models and cellular events related to conjugation control and antibiotic resistance.

Speaker: Aleix Tarrés Solé

35 Introducing CoDI - A Coherent Diffraction Imaging Beamline at ALBA

The Coherent Diffraction Imaging (CoDI) beamline is under development as part of the ALBA II upgrade to provide a dedicated platform for high-throughput, multimodal in situ and operando nanotomography. Exploiting the increased coherent flux and brightness of ALBA II, CoDI will operate over an energy range of 4–25 keV and is designed for samples up to approximately 500 µm in size, enabling investigations of materials and dynamic processes with nanometre spatial and minute-scale temporal resolution under representative operating conditions.

The beamline is centred on three complementary imaging modalities: ptychographic X-ray computed tomography (PXCT) for quantitative high-resolution 3D imaging, holotomography (HT) for rapid full-field volumetric imaging, and Bragg CDI/ptychography for three-dimensional strain and defect mapping. Future capabilities will include correlative X-ray fluorescence (XRF), diffraction (XRD), and X-ray spectromicroscopy (XANES, XMCD, XMLD), together with flexible sample environments and automated data-processing pipelines enabling near-real-time reconstruction. By combining complementary contrast mechanisms within a single experimental framework, CoDI will enable correlation of three-dimensional morphology, chemistry, crystallography, and electronic and magnetic properties during dynamic processes in functional and environmental materials.

Speaker: CoDI Development Team (ALBA)

36 Local Plasmonic Response of atomically thin Bi layers on Ag(111) Probed by Scanning Tunnelling Microscopy-Induced Luminescence

Scanning tunnelling microscopy-induced luminescence (STML) enables optical spectroscopy with atomic-scale spatial resolution by probing plasmonic excitations within the tip–sample nanocavity [1]. Here, we investigate the optical response of atomically thin Bi layers grown on Ag(111), materials with intriguing electronic and optical properties for nanoscale optoelectronics, plasmonics and photo-catalysis [2].
Upon deposition on Ag(111), Bi forms two coexisting surface phases: the BiAg₂ surface alloy and α-bismuthene Bi(110), identified by scanning tunnelling microscopy (STM). The BiAg₂ surface alloy and α-bismuthene Bi(110), both exhibiting well-defined unoccupied states, as measured by scanning tunnelling spectroscopy (STS). STML spectra reveal that both Bi phases suppress plasmonic emission for tunnelling electrons whose energies coincide with the intense unoccupied Bi states. In contrast, electrons with enough energy to excite plasmonic modes that decay resonantly into the Bi states produces a pronounced enhancement of the optical emission. STML mapping further demonstrates that these modifications of the plasmonic response are spatially confined to the Bi regions with sub-nanometre resolution.
These results show how atomically thin Bi layers can be used to enhance and confine electron-to-light conversion processes with sub-nm precision. Achieving efficient electron-to-light conversion is a central requirement feature for modern optoelectronics and nanophotonic devices [3]. In addition, they highlight STML as a powerful probe the interplay between local electronic structure and optical excitations in low-dimensional materials [3].
The experiments were conducted in the UHV-Photon-STM of the SPM Platform, at ALBA Synchrotron [4].

[1] Martín-Jiménez, A. et al., Unveiling the radiative local density of optical states of a plasmonic nanocavity by STM. Nature Communications 11, 1021 (2020).
[2] García Diez, K. Structural and Electronic Properties of Bismuth Monolayers Grown on Metallic Substrates Studied by STM and ARPES. PhD thesis, Universitat Autònoma de Barcelona - ICN2, (2026).
[3] de Abajo, F. J. G. et al. Roadmap for Photonics with 2D Materials. ACS Photonics (2025).
[4] https://www.cells.es/en/instruments/microscopy-platform/incaem-facility/scanning-probe-microscopy-spm-platform/sm04-uhv-photon-spm

Speaker: Marc González Cuxart (ICN2)

37 MSPD : 12 years of SXRPD on Operando Batteries at ALBA, MSPD2 to come

The Material Science and Powder Diffraction beamline (BL04-MSPD) [1] has acquired sound expertise in performing Synchrotron X-ray Powder Diffraction (SXRPD) experiments on Operando batteries. Since 2014, ~200 experiments of this type have been conducted on MSPD by users from all Europe, resulting in almost equal number of per review publications. The low noise and fast readout 1D position sensitive detector MYTHEN highly contributed to the success of such experiments. Throughout this period, data collection strategy and hardware (serial data collection [2], non-ambient temperature [3], current pulse discharge [4]), data visualization and synchronization with electrochemistry and data processing [5] have been continuously improved. Latest significant challenge is the impact of the intense synchrotron beam inhibiting the operation of the battery [6] leading in careful thinking of new data collection strategy, in particular since MSPD will move towards an undulator as insertion device hence higher flux density. So-called beam inhibition effect can be mitigated by selection of higher energies, serial data acquisition of multiple batteries and using a smaller beam but mesh mapping whilst (dis-)charging so to illuminate fresh points.
All the above will be touched essentially based on the beyond Li batteries master examples in which Na3V2(PO4)2F3 and Na3V2(PO4)3 compounds are used as positive electrodes and sodium (des-)inserted. High angular resolution was initially applied to unambiguously confirm the orthorhombicity of Na3V2(PO4)2F3 but tending to tetragonal when not fully “fluorized” [7]. Operando data collection resolved the multiple phases occurring when (des-)inserting 2 Na ions at various rates and/or grain coating for improving performances [8,9]. To be noted that batteries with Na3V2(PO4)2F3 cathode material are now commercialized in portable devices. The so called NASICON Na3V2(PO4)3 positive cathode has been studied on MSPD by SXRPD on Operando batteries at variable temperatures using either ALBA designed temperature cells [4] or developed at LRCS, Amiens [10]. Finally, seconds order pattern acquisition appeared necessary in the case of blended electrodes (NMC-LFP-LMO) to decoupled the active role of each material whilst discharging (Li insertion here), the latter being performed by sending high intensity current pulses followed by long relaxation.
Beside diffraction, hard Xray spectroscopy is generally used to follow the valence state of transition metal elements involved in the redox process of battery mechanism, the NOTOS beamline at ALBA allows collecting quasi simultaneously both XRD patterns and XANES/EXAFS spectra on Operando batteries. [11]. Multi modal and multi techniques in energy related material and catalysis has been established as a scientific priority in ALAB, for Operando batteries this encompass XRD, XAS, Xray Photoemission Spectroscopy, InfraRed spectroscopy and Transmission Electron Microscopy.

[1] F. Fauth, Eur. Phys. J. Plus (2015) 130: 160
[2] M Herklotz, J. Appl. Cryst. (2016). 49, 340–345
[3] D Chatzogiannakis, Energy Storage Materials 69 (2024) 103414
[4] R. Houdeville, Journal of The Electrochemical Society, 2024 171 020533
[5] O.Arcelus, J. Appl. Cryst. (2024). 57
[6] A Black, Chem. Mater. 2024, 36, 5596−5610
[7] T Broux, Chem. Mater. 2016, 28, 7683−7692
[8] M Bianchini, Chem. Mater. 2015, 27, 3009−3020
[9] T Broux, Small Methods 2018, 1800215
[10] Kriti Choudhary, ACS Appl. Mater. Interfaces 2024, 16, 58609−58616
[11] C Marini, Eur. Phys. J. Plus (2025) 140:1228

The work performed on MSPD and described here is a result of many academic users and collaborators out of multiple groups with specific acknowledgement to ICMCB, Botdeaux and LRCS Amien (C Masquelier, J N Chotard, K Choudary, Sunkyu Park, M Bianchini, T Broux, L Croguenec, D Carlier), ICMAB Barcelona and CICenrgigune Victoria (R Palacin, A Black ,M Casas-Cabanas, O Arcelus, D Chatzogiannakis), KIT, Karlsruhe (M Knapp, S Indriss, M Herklotz, L Mereacre, H Ehrenberg) and many others.

Speaker: François Fauth (ALBA-CELLS)

38 Multi-Scale AI-Based Segmentation and Characterisation of Hepatic Microvasculature in Porto-Sinusoidal Vascular Disease Using Synchrotron X-ray Phase-Contrast Imaging

Porto-Sinusoidal Vascular Disease (PSVD) is a life-threatening chronic liver disorder, primarily driven by severe portal hypertension complications [1]. Currently, definitive clinical diagnosis relies on the identification of specific and non-specific non-cirrhotic histological microvascular lesions, such as the progressive obliteration of intrahepatic portal venules (OPV) and portal vein stenosis, detectable through Light Microscopy (LM) [2]. Yet, the precise cellular and structural mechanisms underlying this disease remain poorly characterised, leaving a critical gap in both understanding and clinical management [3]. Addressing this gap requires mapping the liver’s highly specialised hierarchical vascular architecture. While being useful for lesion detection, conventional 2D LM fails capture this 3D organization: it requires tissue slicing and staining, which may introduce artifacts and only offers 2D perspectives of a continuous 3D vascular architecture [4]. Synchrotron X-ray Phase-Contrast Imaging (X-PCI) overcomes these limitations by enabling non-destructive 3D visualisation of intact biopsies with high soft tissue contrast and sub-micron resolution (0.65 μm) [5]. Nevertheless, imaging the full multi-scale vascular architecture generates massive terabyte-scale datasets that overload computational memory when processed entirely at maximum resolution, demanding specialised processing strategies.

To address this computational challenge, we developed an efficient multiscale AI-based pipeline (Figure 1 in attachments) applied to liver biopsies from control and PSVD rat models [6] imaged at the FaXToR beamline (ALBA Synchrotron) [7]. First, we performed bit depth reduction and standardised the reconstructed measurements through contrast normalization. Next, we stitched the samples using an in-house adaptation of different resolutions levels: Binning 4 (2.6 µm), 2 (1.3 µm) and 1 (native, 0.65 µm). We utilised the resulting stitching parameters to map the global macrovascular tree. Resolution-specific nnU-Net models [8] then segmented the vascular architecture at each scale: a binary model mapped large vessel walls at low resolution (DSC = 0.988), while a multiclass model delineated terminal sinusoids and suppressed background at higher resolutions, producing a continuous vascular representation from macrovessels to sinusoids.

As a preliminary result, a resolution-dependent logical subtraction isolated the exclusive microvascular component, revealing a severe 28.33% density reduction in the diseased sample. This capillary dropout is completely hidden under downsampled regimes, proving that native maximum resolution is mandatory to detect microvascular pruning. Furthermore, a spatial translation framework integrated the 3D surface meshes from multiple resolutions into a single coordinate system, enabling the simultaneous visualisation shown in Figure 1 (in attachments). Together, these results establish a non-destructive multiscale pipeline for characterising the structural remodelling underlying PSVD, with potential applicability to other vascular anatomies including placental, pulmonary and coronary networks.

References:
[1] A. De Gottardi, C. Sempoux, and A. Berzigotti, “Porto-sinusoidal vascular disorder,” Journal of Hepatology, vol. 77, no. 4, pp. 1124–1135, Oct. 2022, doi: 10.1016/j.jhep.2022.05.033.
[2] A. De Gottardi et al., “Porto-sinusoidal vascular disease: proposal and description of a novel entity,” The Lancet Gastroenterology & Hepatology, vol. 4, no. 5, pp. 399–411, May 2019, doi: 10.1016/S2468-1253(19)30047-0.
[3] G. Campreciós, B. Bartrolí, C. Montironi, E. Belmonte, J. C. García-Pagán, and V. Hernández-Gea, “Porto-sinusoidal vascular disorder,” in Sinusoidal Cells in Liver Diseases, Elsevier, 2024, pp. 445–464. doi: 10.1016/B978-0-323-95262-0.00022-X.
[4] R. Xuan et al., “Phase-contrast computed tomography: A correlation study between portal pressure and three dimensional microvasculature of ex vivo liver samples from carbon tetrachloride-induced liver fibrosis in rats,” Microvascular Research, vol. 125, p. 103884, Sep. 2019, doi: 10.1016/j.mvr.2019.103884.
[5] A. Patera et al., “FaXToR: the hard X-ray micro-tomography beamline at the Spanish synchrotron ALBA,” J Synchrotron Rad, vol. 33, no. 1, pp. 207–217, Jan. 2026, doi: 10.1107/S160057752500997X.
[6] G. Campreciós et al., “Interspecies transcriptomic comparison identifies a potential PORTO‐SINUSOIDAL vascular disorder rat model suitable for in vivo drug testing,” Liver International, vol. 44, no. 1, pp. 180–190, Jan. 2024, doi: 10.1111/liv.15765.
[7] A. Patera, A. G. Zippo, A. Bonnin, M. Stampanoni, and G. E. M. Biella, “Brain micro‐vasculature imaging: An unsupervised deep learning algorithm for segmenting mouse brain volume probed by high‐resolution phase‐contrast X‐ray tomography,” Int J Imaging Syst Tech, vol. 31, no. 3, pp. 1211–1220, Sep. 2021, doi: 10.1002/ima.22520.
[8] H. Goharbavang, A. T. Ashitkov, A. Pillai, J. D. Wythe, G. Chen, and D. Mayerich, “Segmentation and modeling of large-scale microvascular networks: a survey,” Front. Bioinform., vol. 5, p. 1645520, Oct. 2025, doi: 10.3389/fbinf.2025.1645520.

Speaker: Emily Ji Lam

39 Multimodal Synchrotron Approaches for the Sustainable Valorisation of Sargassum Biomass

Massive accumulations of pelagic Sargassum along Atlantic and Caribbean coastlines pose a growing environmental and socio-economic burden and, at the same time, constitute an abundant renewable feedstock for high-value bio-based products. The European MSCA Staff Exchanges project SARGEX works to advance the sustainable valorisation of this marine biomass through the identification of valuable compounds and the development of innovative applications supporting the circular blue bioeconomy.
The chemical complexity and heterogeneity of Sargassum biomass call for advanced analytical methodologies capable of providing detailed information on the distribution, speciation and structural organization of both organic and inorganic components. In this context, synchrotron-based techniques, particularly X-ray Absorption Spectroscopy (XAS) and ideally μ-XAS, together with complementary spectroscopic, diffraction, and imaging methods, are well suited to map elemental speciation and distribution, resolve mineral–organic interactions, and track structural changes during biomass processing and biorefinery.
The integration of these multimodal and multi-scale analytical techniques with chromatography, metabolomics and bioactivity studies will deliver a complete chemical characterisation of Sargassum-derived materials. This, in turn, will guide the optimisation of extraction processes, the identification of high-value compounds, and the design of safe, sustainable applications.
Building upon previous experience using synchrotron X-ray absorption spectroscopy for elemental speciation in agro-food systems, SARGEX offers an ideal framework to extend these analytical capabilities to marine biomass. In particular, understanding the chemical forms, spatial distribution, and transformation of essential nutrients and potentially toxic elements is central to assessing biomass safety and defining viable valorisation pathways.
ALBA II’s upgraded multimodal and multiscale capabilities, combined with high-throughput workflows and AI-assisted data analysis, make it a natural partner for the SARGEX research agenda, and a concrete test case for the facility’s potential in marine bioresource science.

Speaker: Mercè Llugany Ollé (Plant Physiology Group (BABVE), Faculty of Biosciences, Universitat Autònoma de Barcelona (UAB))

Poster DEF Vertical.pdf

40 Multipoint Interfacial Anchoring Enables Cycling-Assisted Lithium-Storage Kinetics in CoNi@MXene

High-rate lithium-ion storage requires anodes with fast charge transport, accessible ion pathways, and stable interfaces. Here, an alkalization-assisted electrostatic self-assembly strategy is used to construct CoNi@MXene, in which Co/Ni hydroxide/oxide-like nanodomains are anchored on Ti3C2Tx MXene through deprotonated oxygen-containing surface sites. This multipoint interfacial anchoring suppresses MXene restacking, stabilizes redox-active domains, and preserves efficient electron/ion transport pathways. As a lithium-ion battery anode, CoNi@MXene delivers 1205 mAh g⁻1 at 0.1 A g⁻1 and maintains 696 mAh g⁻1 at 5 A g⁻1. During long-term cycling, it retains 203 mAh g⁻1 after 2000 cycles at 1 A g⁻1 and 179 mAh g⁻1 after 1800 cycles at 5 A g⁻1, with Coulombic efficiency approaching 100%. Kinetic and impedance analyses reveal dominant capacitive storage, facilitated Li+ diffusion, and a cycling-induced decrease in charge-transfer resistance from 149.8 to 20.4 Ω. Ex situ X-ray absorption spectroscopy (XAS) indicates the retained and electronically adaptive Co/Ni active sites after cycling, while density functional theory (DFT) calculations reveal favorable interfacial binding and enhanced electronic coupling near the Fermi level. This work demonstrates an interfacial anchoring strategy for stabilizing MXene-based anodes and accelerating lithium-storage kinetics.

Speaker: Zeyan Li (University of Barcelona)

41 NCD-SWEET beamline towards ALBA II: Expanding Capabilities for Advanced Scattering Experiments

Since entering user operation during ALBA phase I, the NCD-SWEET beamline has established itself as a high-performance and versatile platform, providing SAXS, WAXS, GISAXS, and GIWAXS capabilities to a broad scientific community. The beamline supports a wide range of in situ and operando experiments through flexible sample environments and enables correlative workflows with complementary X-ray and microscopy techniques. Building on these strengths, the ALBA II upgrade will significantly expand the beamline capabilities while preserving its flexibility.

The transition to the ALBA II diffraction-limited storage ring will deliver substantially higher brightness, coherent flux, and source stability, enabling coherence-based methods, multimodal experiments, improved sensitivity for weakly scattering samples, higher spatial resolution, and faster in situ and operando measurements.

To fully exploit these opportunities, NCD-SWEET will undergo a comprehensive instrumentation upgrade, including new X-ray optics, a high-precision sample positioning system, and next-generation hybrid pixel detectors with smaller pixel size, higher frame rates, and negligible dead time. Moreover, the SAXS detector will be integrated into a motorized in-vacuum flight tube, enabling shorter sample-to-detector distances and extending the accessible q-range while increasing the data quality.

These developments will preserve the beamline versatility while significantly boosting its performance and extending its scientific reach towards high-throughput scattering, multimodal experiments, coherence-enabled techniques, and increasingly demanding in situ and operando studies. This contribution presents the current status of NCD-SWEET, the technical roadmap towards ALBA II, and the new opportunities that the upgraded beamline will offer to the user community.

Speaker: Eduardo Solano

42 Operando GIWAXS Investigation of Annealing-Induced Structural Evolution in BTBT Organic Transistors

Ph-BTBT-Cn derivatives have attracted significant attention for their good electrical performance in organic field-effect transistors (OFETs) [1]. As asymmetric small organic molecules, in thin films they exhibit a pronounced tendency toward polymorphism, including the formation of metastable phases and liquid crystalline phases upon thermal annealing [2, 3]. Although such rich thermal behaviour can be exploited for improving the electrical properties (via control of polymorphism), it can compromise the stability under thermal stress. For practical applications, it is crucial to establish a direct link between structural evolution and electrical performance during thermal annealing.

We present here a study that combines in situ Grazing-Incidence Wide-Angle X-ray Scattering (GIWAXS) and electrical measurements in operando OFETs, enabling the simultaneous monitoring of structural evolution and charge transport during thermal annealing and cooling cycles. Focusing on Ph-BTBT-C12 deposited on silicon oxide as dielectric, we investigate how temperature-induced structural changes correlate with the device performance. This operando approach enables direct observation of structural transitions and their real-time impact on electrical performance. The findings highlight the critical role of polymorphism in Ph-BTBT-C12 and demonstrate the importance of simultaneous structural and electrical measurements for understanding crystal phase behaviour and optimizing organic semiconductors for high-performance electronics.

References:
[1] H. Iino, T. Usui, J. I. Hanna, Nat. Commun., 2015, 6, 6828
[2] S. Yan, D. Cornil, J. Cornil, D. Beljonne, R. P. Rivera, C. Ocal, and E. Barrena, Chem. Mater., 2024, 36, 585–595
[3] S. Hofer, A. Hofer, J. Simbrunner, M. Ramsey, M. Sterrer, A. Sanzone, L. Beverina, Y. Geerts, and R. Resel,
Journal of Physical Chemistry C, 2021, vol. 125, pp. 28 039–28

Speaker: Alba Cazorla Moreno (Institut de Ciència de Materials de Barcelona (ICMAB-CSIC))

43 Operando Synchrotron FTIR at the MIRAS Beamline Reveals Structural-Water Dynamics in Prussian Blue Analogues

Prussian Blue Analogues (PBAs) have attracted considerable interest as cathode materials for next-generation sodium-ion and multivalent batteries due to their open framework, rapid ion diffusion, structural versatility, and low cost synthesis. However, the role of structural water and its influence on electrochemical performance remains incompletely understood. Here, we combine operando Fourier-transform infrared (FTIR) spectroscopy at ALBA's MIRAS beamline¹ with operando X-ray diffraction (XRD) to elucidate reaction mechanisms, structural evolution, and water dynamics in PBAs. Continuous monitoring of the cyanide (CN⁻) and water (OH⁻) stretching vibrations reveals distinct redox mechanisms across different hydrated PBA compositions. In Berlin Green (FeFe-PBA), the reversible shift of the CN⁻ stretching band from 2113 to 2102 cm⁻¹ directly tracks Fe redox activity and spin-state transitions during Na⁺ and Ca²⁺ intercalation.² Structural water also exhibits composition-dependent behavior. Commercial MnFe-Prussian White undergoes progressive, irreversible water release coupled to structural phase transitions, whereas FeFe-Prussian Blue and Berlin Green seem to exhibit some reversible water dynamics that closely follow the Fe²⁺/Fe³⁺ redox process and associated lattice-volume changes.³ These findings showcase operando synchrotron FTIR as a unique tool to complement to XRD and XAS and reveal structural-water dynamics largely hidden from conventional operando techniques.

Speaker: Alejandro Ramo-Irurre (Instituto de Ciencia de Materiales de Barcelona (ICMAB-CSIC))

44 Paper and Ink Studies of Ancient Manuscripts using XRF and IR Spectroscopy Techniques: Writing History on the Silk Road

For hundreds of years paper has been the main material for recording cultural achievements around the world. Paper is mostly made up of cellulose with small amounts of organic and inorganic additives, which allow its identification and characterisation and may also contribute to its degradation. Prior to 1850 AD, paper was made entirely from rags, using hemp, flax and cotton fibres. At around 11th century, carbon inks as well as iron gall inks were popular. During that era, ink was also made from branches of hawthorn which were cut in the spring and left to dry. Then the bark from the branches would be peeled off and left to soak in water for eight days. That water would be boiled until it is thick and black but while boiling, wine would be added to it. That thick and black liquid would be poured into bags and left in the sun to dry. When it is dried, wine (again) and iron salt would be mixed with it over fire. The resulting mixture would be ink ready to use. The aim of this project was to study paper and ink components of a number of unique ancient manuscripts (about 300 unique manuscripts, most of them over 200 years old) by Infrared Spectroscopy technique. No previous research has been done on these manuscripts. We had very successful beamtimes at Elettra SISSI-Mat Beamline (this project was supposed to be carried out at ALBA; MIRAS beamline (accepted proposal number 2021095394), but the proposal could not be allocated due to some operational reasons. It will hopefully be resubmitted for the current call). Experimental results lead us to a roadmap to understanding the process of writing history on the Silk Road. Due to the uniqueness of the manuscripts and in order to complete the project and to produce standard charts for the components of paper and ink (separately) used over hundreds of years, a long-term project is required. Preliminary results of FTIR spectroscopy studies on the historical manuscripts showed that the range of colours applied in illustrated margins in one of the manuscripts (marriage certificate) consists of red, pink, orange, dark (strong) and light blue, dark (strong) and light green, black, white, gold and silver. In addition, ultramarine, Verdigris (copper acetate), lead white (lead carbonate) and ochre (Iron oxide) for blue, green, white and orange could be distinguish respectively. The specific signal from Prussian blue (Iron blue) was identified in the blue ink of the texts in this document. Since gold, silver and red colours (red and pink) have no specific signals related to their pigments, it needs to analyse their elements by other non-destructive methods such as XRF (XRF test scans at the ICTP-XRF laboratory, Trieste provided very interesting results (Figure 3)). It should be mentioned that the peaks of proteins compound in the gold and silver colour spectrum could be related to its binder which is usually from animal glue. It should be mentioned that the manuscripts of the collection preserved in the same environmental conditions for many years. However, only some of them were attacked by pests such as "Silver fish" so the interesting question to be answered here is whether some inhibitor agents prevented insects to damage other documents.

Speaker: Dr Amir Sayid Hassan ROZATIAN (University of Isfahan)

45 Patch-based Pipeline for the 3D Characterization of Cardiac Microstructure in X-ray Phase Contrast Images using Machine Learning

Tissue microstructure dictates organ function, therefore a rigorous characterization of tissue architecture is imperative for understanding healthy and pathological processes [1]. While Synchrotron X-ray Phase Contrast Imaging (X-PCI) offers high-resolution, high-contrast and non-destructive 3D imaging of cardiac microstructure [2], the massive data volumes and complexity of these acquisitions make manual clinical interpretation impractical. To address this, we develop an autonomous computational pipeline for the robust exploration and interpretation of 3D microstructural environments.

Our proposed approach introduces an unsupervised 3D patch-based machine learning pipeline designed to autonomously characterize unlabeled volumetric X-PCI data, as shown in Figure 1. To remove the effect of spatial positioning in our samples, we propose a rotationally invariant representation for each patch. This is achieved by extracting 2D slices across several orientations and features through an ImageNet-pretrained ResNet-50 backbone [3,4,5], which we then aggregate into a single global descriptor using order-invariant operations, specifically max and mean pooling. Subsequently, we apply UMAP [6] for dimensionality reduction, generating a unified latent manifold where the 3D patches naturally cluster according to their intrinsic microstructural similarity.

To illustrate this framework, Heart Transplant Rejection (HTR) is utilized as a clinical case study, representing a critical scenario where subtle microstructural deterioration precedes macroscopic organ failure. HTR diagnosis currently relies on the histological analysis of endomyocardial biopsies (EMBs) via 2D Light Microscopy, a process that inherently destroys native 3D tissue architecture and limits spatial context. Our results show the pipeline successfully distinguishes diverse cardiovascular tissue types, clustering together cardiomyocytes, endocardium, and fine vascular structures, based purely on morphological signatures. Furthermore, the model successfully isolated pathological regions, mapping HTR-associated lymphocytic infiltrations into distinct spatial clusters.

Figure 1 (in attachements): Schematic overview of the proposed computational pipeline, detailing the sequential stages from initial data preprocessing to microstructural feature extraction and latent space projection.

References
[1] M. Seabra, N. Skreb, H. Dejea et al., Actas del XLII CASEIB, 2024, ISBN: 978-84-09-67332-2
[2] I. Planinc, I. Ilic, H. Dejea et al., Transplant International 36:11046, 2023, doi:10.3389/ti.2023.11046
[3] K. He, X. Zhang, S. Ren et al., Proceedings of the IEEE Conference on Computer Vision and Pattern Recognition (CVPR), 2016, doi:10.1109/CVPR.2016.90
[4] O. Russakovsky, J. Deng, H. Su et al., International Journal of Computer Vision 115:211-252, 2015, doi:10.1007/s11263-015-0816-y
[5] A. Paszke, S. Gross, F. Massa et al., Advances in Neural Information Processing Systems 32, 2019
[6] L. McInnes, J. Healy, J. Melville, arXiv preprint arXiv:1802.03426, 2018, doi:10.48550/arXiv.1802.03426

Speaker: Arnau Martínez Pérez (BCN-MEDTECH, University Pompeu Fabra)

46 Photon-SPM a New Facility at ALBA For inSitu Experiments: Ramen Lab

This work presents a new environmental photon-scanning probe microscopy platform at the ALBA Synchrotron, designed to enable correlative experiments under controlled atmospheres and operando conditions. The facility integrates a micro-Raman spectrometer with an optically coupled atomic force microscopy head, providing advanced capabilities for multimodal characterization. The micro-Raman system accommodates several custom-designed environmental cells, allowing measurements under controlled humidity, gas composition, temperature, and high-pressure conditions, including diamond anvil cell configurations. It also supports the incorporation of external lasers for in situ photochemical and photophysical studies.

The platform provides access to low-frequency Raman modes below 5 cm⁻¹, high spectral resolution below 0.2 cm⁻¹, and full polarization control, enabling precise Raman mapping, elastic constant measurements in two-dimensional materials, and the detection of subtle spectral perturbations associated with doping, strain, or chemical interactions. The system includes three excitation wavelengths, 532, 633, and 785 nm, and four gratings, 300, 600, 1800, and 2400 lines/mm. The AFM module offers multiple topographic and electrical operation modes and is compatible with tip-enhanced Raman scattering and tip-enhanced photoluminescence.

This facility forms part of a collaborative initiative within the Spanish Advanced Materials Programme, aimed at developing a unique infrastructure for the correlative use of scanning/transmission electron microscopy, scanning probe microscopy, and synchrotron radiation techniques. By integrating complementary nanoscale and spectroscopic methods, the platform will support the investigation of advanced materials and address key scientific challenges related to sustainable technologies and the European Green Deal.

Speaker: Emigdio Chavez Angel (ICN2)

47 Spatially Resolved Operando Synchrotron FTIR for Monitoring Electrode Dissolution in Organic Batteries

Dissolution of redox-active organic electrode materials into the electrolyte is a major limitation for the long-term stability of organic batteries. However, directly monitoring dissolved species during battery operation remains challenging because conventional ex situ measurements cannot fully capture their temporal and spatial evolution. In this work, we present a spatially resolved operando synchrotron Fourier-transform infrared spectroscopy methodology for investigating electrode dissolution under electrochemical operating conditions.
1,4,5,8- naphthalenetetracarboxylic dianhydride-derived polyimide (PNTCDA) was selected as a model organic electrode material in a lithium half-cell containing 1 M LiTFSI in DME electrolyte. Repeated synchrotron FTIR mapping was performed across selected regions of the electrochemical cell while the electrochemical response was recorded simultaneously. The high brightness and spatial resolution of synchrotron radiation enable changes in characteristic molecular vibrations to be monitored as a function of position, time, and electrochemical state. Spectral preprocessing, peak tracking, and band-area analysis are used to distinguish electrolyte-related signals from spectral features associated with PNTCDA and its electrochemically generated dissolved species.
This methodology provides a framework for correlating the spatial distribution and evolution of dissolved species with electrochemical processes. Although demonstrated using PNTCDA, the developed approach can be extended to other organic and inorganic materials to investigate dissolution mechanisms, reaction intermediates, and electrode–electrolyte interactions under realistic operating conditions.

Speaker: Saad Ali

48 Strain-Induced Crystallization as a Design Tool for Sustainable Elastomers: Insights from In Situ Synchrotron WAXS at ALBA

Strain-induced crystallization (SIC) is a key mechanism governing the performance of many elastomeric systems, influencing their mechanical reinforcement, thermal response, fatigue resistance, and functional properties. In this work, we present recent results obtained at the BL11-NCD-SWEET beamline of the ALBA Synchrotron using in situ wide-angle X-ray scattering (WAXS) during thermomechanical loading of two classes of sustainable elastomers.

The first study investigates thermoplastic polyurethaneurea elastomers designed for elastocaloric cooling applications. Simultaneous structural and thermal characterization revealed that amorphous chain orientation develops prior to crystallization and contributes significantly to the elastocaloric response. Above a critical orientation threshold, strain-induced crystallization occurs and provides an additional entropy-driven contribution through latent heat effects, leading to enhanced cooling performance and reversibility.

The second study focuses on natural rubber composites containing recycled ground tire rubber (GTR). In situ synchrotron WAXS demonstrates that GTR particles promote SIC by acting as nucleating sites, reducing the onset strain for crystallization and increasing mechanical reinforcement. Under combined mechanical and thermal loading, the enhanced crystallization stability delays failure and improves resistance to crack propagation despite the presence of recycled inclusions.

Together, these studies highlight the unique capability of synchrotron radiation to quantify molecular orientation, crystallization kinetics, and structural stability under realistic operating conditions. The results demonstrate how SIC can be exploited as a microstructural design principle to develop high-performance and sustainable elastomeric materials for energy-efficient cooling technologies and circular-economy rubber applications.

Speaker: Nicolas Candau (Universitat Politècnica de Catalunya)

49 Structual insights of a multi-megadalton virus like proteolytic dodecahedron

Massive, catalytically active protein cages are exceptionally rare in nature. The oral pathogen Porphyromonas gingivalis secretes zuzalysin (ZUZ), a virulence metallopeptidase that undergoes a calcium-triggered hierarchical assembly. Activated via a cysteine-switch mechanism, ZUZ pentamers sequentially organize into bipentamers, tripentamers, and a colossal, virus-like ≈5.6-MDa dodecahedral particle DdhZUZ. Seven X-ray and cryo-EM structures (1.8–3.6 Å) reveal the molecular basis of this activation and self-assembly. The physiological DdhZUZ cage features 60 internal active sites accessible only to small substrates through twenty ≈45-Å pores. Measuring ≈355 Å in diameter, DdhZUZ is the largest naturally occurring, catalytically active homomeric protein assembly resolved to high resolution, surpassing major peptidase complexes and metabolic cores in both size and structural clarity.

Speaker: Arturo Rodríguez Banqueri (IBMB-CSIC)

50 Structural analysis of a heptameric ATP-independent proteasome activator reveals a novel mechanism for 20S proteasome binding and activation

The 20S proteasome is a compartmentalized protease that ensures controlled proteolysis and safeguards cell protein homeostasis in all kingdoms of Life. Proteasome activity is mainly regulated by ATPase activators that cap its extremities, although alternative energy-independent activators have been described and shown to play important roles. Here, we report the discovery of a novel ATP-independent activator in the hyperthermophile Pyrococcus abyssi, which we named Archaeal proteasome activator (APA). In vitro assays show that APA interacts directly with the 20S proteasome complex, stimulates proteasome-mediated substrate degradation and exhibits an independent chaperone function. The structural characterization of APA reveals a ring-shaped homoheptameric complex with no structural similarity to previously described activators. Using single-particle cryo-EM, we solved the structure of the APA-20S proteasome complex at 3.1 Å resolution, showing an uncanonical proteasome binding and gate-opening mode in which APA is tightly clamped by the C-terminal regions of the 20S proteasome α-subunits. Collectively, our findings provide a novel mechanistic insight into ATP-independent proteasome activation and suggest a wider variety of molecular actors in proteasome regulation.

Speaker: Dr Laura Mariño Puertas (CSIC IBMB)

51 Structural Dissection of the Arabidopsis BRAHMA Chromatin Remodeler

Optimizing auxin-mediated plant development is critical for global food security, as this phytohormone regulates plant architecture and environmental adaptation. This process relies on a chromatin-based regulatory switch in which activator Auxin Response Factors (ARFs), particularly AtARF5/MONOPTEROS, recruit the BRAHMA (BRM) ATPase-associated SWI/SNF chromatin remodeling complex to modulate target gene expression, as demonstrated in vivo.
In this context, we aim to resolve the full-length structure of BRAHMA from Arabidopsis thaliana, a long-standing objective in our research group. However, the large size of BRM presents significant challenges for recombinant expression and structural characterization. To overcome these limitations, we propose a domain-based dissection strategy focusing on three key regions: the bromodomain, the ATPase domain, and an α-helical domain. The bromodomain acts as a histone mark reader by recognizing acetylated lysine residues on histone tails, thereby contributing to genomic targeting. The ATPase domain, a helicase-like catalytic core, uses ATP hydrolysis to reposition nucleosomes through sliding or ejection. The α-helical regions are expected to provide structural stability and mediate protein–protein interactions within the complex.
In addition, we describe the production of regulatory subunits ARP4 and ARP7, actin-related proteins that contribute to the stability and function of SWI/SNF complexes. Understanding their roles will help clarify how BRM-containing complexes are assembled and regulated during chromatin remodeling. Although this strategy successfully yielded crystals of the BRM bromodomain, the diffraction data obtained were not of sufficient quality to solve the structure. Therefore, optimizing the crystallization conditions remains a critical challenge for obtaining high-quality datasets and achieving structural determination.
These results provide a foundation for reconstructing the architecture of full-length BRM. By integrating this structural characterization with our group’s “molecular caliper” model, we aim to establish a mechanistic framework for how AtARF5 dimers engage the chromatin remodeling machinery to regulate gene expression through structural characterization of BRAHMA in Arabidopsis.

Speaker: Wendy Camila Anzola Muñoz (PhD Student at ALBA)

52 Studies of Protein-Ligand Interactions using Anomalous Signals Detected from Sulphur and Chlorine at Long Wavelengths

X-ray crystallography has become an essential technique for obtaining primary structural information on protein-ligand interactions, guiding the design of new drugs. However, determining the precise binding mode of ligands to proteins can be challenging, especially when ligands adopt multiple orientations or exhibit low occupancy in binding sites due to weak affinity—conditions common during the early stages of research. These challenges are further compounded by uncertainties in the protein structure model, often caused by flexibility, conformational changes, and insufficient resolution. One way to address these limitations is by exploiting additional information from anomalous difference Fourier maps, which are used in X-ray crystallography to visualize the location of anomalous scatterers. Many biologically active ligands contain elements that produce a measurable anomalous signal, enabling researchers to pinpoint the location of these scatterers and accurately determine the ligand's binding orientation. However, detecting lighter elements at standard beamlines has been challenging due to air absorption of X-rays and other technical limitations.
The long-wavelength beamline I23 at Diamond Light Source, optimized for data collection at wavelengths up to 5.5 Å, is well-suited for identifying light elements such as chlorine, sulfur, and phosphorus. Operating in a vacuum environment, the beamline eliminates scattering, resulting in a minimal background signal on the detector. This significantly improves the signal-to-noise ratio and enhances the quality of anomalous difference Fourier maps.
Recent studies on I23 have clearly demonstrated the unique advantages of long-wavelength crystallographic experiments. In one study, anomalous signals were used to unambiguously identify multiple binding orientations of small sulfur- and chlorine-containing fragments bound to the SARS-CoV-2 nsp1 protein [1]. In another, the anomalous signal from a sulfur atom enabled precise determination of the location and binding mode of the drug riluzole in a voltage-gated sodium channel membrane protein [2]. A subsequent study further exploited the long-wavelength capabilities of I23, using the anomalous signal from chlorine to definitively locate a volatile anaesthetic bound to a voltage-gated sodium channel [3]. This information proved essential for elucidating the molecular basis of the anaesthetic’s mechanism of action. These examples highlight the effectiveness of long-wavelength measurements in confidently fitting fragments into challenging electron density maps.
References
1. S. Ma et al., High confidence placement of low-occupancy fragments into electron density using the anomalous signal of sulphur and halogen atoms, Acta Cryst. D, 80, 2024, 451-463.
2. D. Hollingworth et al., Structural basis for rescue of hyperexcitable cells by the ALS drug riluzole. Nature Communications, 15, 2024, 8426.
3. D. Hollingworth at al., Volatile anaesthetics modulate voltage-gated sodium channel function at a site directly linked to channel gating, Nature Communications, 2026 (in print).

Speaker: Vitaliy Mykhaylyk (Diamond)

53 Surface Dynamics and Catalytic Function in Co–Ir/CeO2 Dry Reforming Catalysts

Dry reforming of methane (DRM) represents an attractive route to simultaneously valorize CH₄ and CO₂ through the production of synthesis gas (CH₄+CO₂ → 2H₂+2CO). In this work, monometallic and bimetallic Co–Ir catalysts supported on CeO₂ were studied. The catalysts were prepared by ball milling (BM) and incipient wetness impregnation (IWI), and their catalytic performance was related to the evolution of their surface composition and oxidation states under DRM-relevant conditions.
The bimetallic systems clearly outperformed Co/CeO₂ for DRM and, to a lesser extent, Ir/CeO₂. At 700 °C, the Co–Ir/CeO₂ BM catalyst reached 41.5% methane conversion, 54.7% carbon dioxide conversion, and an H₂/CO ratio of approximately 0.71, while Ir/CeO₂ BM showed values of 37.9%, 52.2%, and 0.69, respectively, and Co/CeO₂BM values of 10.9, 18.7, and 0.45, respectively.
In situ NAP-XPS measurements were performed during oxidation, reduction, and reaction stages, primarily focusing on the Ce 3d, Co 2p, O 1s, and Ir 4f regions using different photon energies to monitor the surface and sub-surface regions. The Ce 3d spectra revealed the coexistence of Ce⁴⁺ and Ce³⁺ species, associated with the redox capacity of ceria and the generation of oxygen vacancies. During reduction, a decrease in the Ce⁴⁺/total Ce ratio was observed, followed by partial recovery under DRM conditions, suggesting partial reoxidation of the support through CO₂ activation. This behavior was relevant in both the bimetallic systems and Ir/CeO₂ BM, whose Ce⁴⁺/Ce ratio evolved from 81% under oxidation to 62% under reduction and 68% under reaction conditions. In the Co 2p region, Co²⁺/CoO species evolved toward Co⁰ during reduction, with Co⁰ remaining the dominant species under reaction conditions. However, more appreciable oxidized contributions were observed in BM catalysts, possibly associated with Co–CeO₂₋ₓ interactions, which favored DRM at lower temperatures. The Ir 4f region indicated the formation of Ir⁰ species under reducing and DRM conditions.
Overall, these results suggest that Ir contributes significantly to catalytic activity and stability, while the bimetallic formulation and the BM method favor metal support interfaces that are active for DRM. In this context, the partial recovery of Ce4+ under reaction conditions, the stabilization of Co0 as the dominant cobalt species, the presence of oxidized Co contributions in BM catalysts, and the formation of Ir0 under reducing and DRM environments provide a surface chemical basis for the enhanced catalytic performance observed, particularly for the Co-Ir/CeO2 catalyst.

Speaker: Elias Garcia Echeverria

54 Synchrotron-based FTIRM to decode the biomolecular mechanisms underlying novel radiotherapy techniques.

Background and Aims 

Radiotherapy (RT) is one of the most important approaches to treat cancer, but normal tissue tolerance limits the delivery of curative doses to the tumour. By using dose distributions that differ from the flat profiles employed in conventional RT, spatially fractionated radiotherapy (SFRT) techniques have demonstrated a remarkable capacity to spare normal tissue while preserving tumour control.  Despite growing experimental evidence, the molecular mechanisms underlying these differential biological responses remain unclear. In this context, synchrotron radiation-based Fourier Transform Infrared microspectroscopy (SR-FTIRM) provides label-free biochemical characterization of irradiated cells. This work, based on multiple experiments, aimed to characterize the biomolecular alterations induced in healthy and tumour cells after being irradiated with different SFRT configurations.

Methods

Cells were irradiated with conventional RT and SFRT under multiple irradiation configurations, including beam type, dose, post-irradiation time points, and irradiation geometries. SR-FTIRM measurements were performed at the MIRAS beamline of the ALBA Synchrotron, in transmission mode using a 10 × 10 µm² aperture. The high brilliance of synchrotron radiation allowed high signal-to-noise spectral imaging at subcellular resolution. Spectra were collected in the 900-3800 cm-1 range (mid-infrared), covering proteins, lipids, carbohydrates, and nucleic acids. Spectral datasets were analysed using multivariate statistical approaches as principal component analysis (PCA), selected band spectral ratios, and supervised machine learning classification, including PCA-LDA (PCA-linear discriminant analysis) and PLS-DA (Partial Least Squares-discriminant analysis).

Results

Distinct modality-specific biochemical fingerprints were identified across irradiation conditions and cell lines. In healthy cells, conventional RT generally showed greater spectral differences relative to non-irradiated cells. The greatest modifications due to SFRT were observed for tumour cells, in the fingerprint region (950-1800 cm-1), involving alterations in the secondary structure of proteins (amide I and II bands, 1500-1700 cm-1) and nucleic acids (950-1400 cm-1). The carbonyl group (near 1740 cm-1) suggested modality-dependent alterations, possibly associated with changes in the degree of oxidative stress, membrane integrity and cell death. Classification models achieved high accuracy, precision, and recall (0.82 – 1.00) for the fingerprint region, supporting the presence of relevant irradiation-induced alterations. Additional differences between SFRT and conventional RT were also observed in the lipids region (2800-3000 cm-1), involving symmetric and asymmetric CH2 and CH3 bands, potentially reflecting changes in the lipid chain length and cell membrane due to oxidative stress or cell death mechanisms.

Conclusions

SR-FTIRM provides a powerful bioanalytical tool for resolving the biochemical complexity of SFRT. Its potential is reinforced by the high performance in spectral classification employing machine learning algorithms.

Speaker: Martina Cots Costa (Universitat Autònoma de Barcelona)

55 The ALBA XPEEM: soft x-ray spectromicroscopy and nanospectroscopy

The Photoemission Electron Microscope (PEEM) of the ALBA synchrotron is a versatile surface characterization tool for x-ray nanospectroscopy and spectromicroscopy [1]. It uses photoemitted electrons to form an image of the sample under synchrotron radiation and provides elemental, chemical and magnetic contrast through the tunable x-ray energy and polarization. XPEEM magnetic combines high spatial resolution (down to 20-30 nm) with high surface sensitivity (1-10 nm probing depth) and elemental specificity. Dichroic effects (XMCD, XLD) provide useful contrast mechanisms for ferroic materials (ferromagnets, antiferromagnets, ferroelectrics). The energy filtered electron detection allows for sensitive detection of electric potentials and work function.
There exist many options for in-situ and operando measurements: annealing, evaporation and gas exposure on the sample preparation side. Further measurements parameters are temperature (heating, cooling), electric signals (current or voltage) from DC up to the GHz range [2] and moderate magnetic fields in different geometries (in-plane vector magnet, out-of-plane magnet and in-plane to out-of-plane vector magnet [3]). A new stage for laser excitation of the sample has been installed recently. Time resolved pump-probe experiments synchronized with the synchrotron RF sources can be performed through electrical excitation e.g. of surface acoustic waves or by creating pulsed magnetic fields in striplines. A new direct electron hybrid pixel detector was installed in 2025 as part of the ALBA beamline upgrade program and has significantly improved the detection quality (resolution, signal to noise). It will also provide bunch by bunch time resolution in the future.
User examples will be provided to showcase the possibilities which offers the ALBA-PEEM to the community.

References
[1] L. Aballe et al., J. Synch. Rad. 2015, 22, 745.
[2] M. W. Khaliq et al., Ultramicroscopy 2023, 250, 113757.
[3] M. Foerster et al., Ultramicroscopy, 2016, 171, 163.

Speaker: Michael Joachim Ulrich Foerster

56 The structural paradigm for subclass-independent IgA cleavage by a gut microbiome metallopeptidase.

Immunoglobulin A (IgA) is the principal guardian of mucosal surfaces, acting as the primary defense against pathogens. To successfully colonize the human body, several bacteria have evolved peptidases that specifically cleave antibodies, uncoupling antigen recognition from immune effector functions. While most of these enzymes exclusively target the hinge region of the IgA1 subclass, the metallopeptidase IgAse from the human gut commensal Thomasclavelia ramosa (formerly Clostridium ramosum) uniquely cleaves both IgA1 and the recalcitrant IgA2 subclass. Until now, the highly transient nature of this enzyme-substrate interaction has precluded structural characterization, leaving the mechanism of this striking subclass-independent recognition elusive.

To overcome this hurdle, we employed an integrative structural biology approach. Guided by AI-driven conformational landscape sampling (AlphaFold3), we engineered a strategically disulfide-stabilized complex to trap the peptidase-antibody interaction. Utilizing high-resolution single-particle cryo-electron microscopy (cryo-EM), alongside macromolecular crystallography (MX) and molecular dynamics simulations, we successfully captured two consecutive states along the reaction coordinate: a non-productive 'recognition' complex and a subsequent 'precatalytic' complex.

Our integrative analysis reveals a previously undescribed, CH1-mediated ‘knob-in-hole’ gating mechanism. We demonstrate how the antibody heavy-chain CH1 loop docks into a preformed pocket of the peptidase and, through a 180° rotation, physically delivers the antibody hinge into the active-site cleft for cleavage. Together, these results establish the definitive structural paradigm for subclass-independent IgA cleavage. Beyond explaining a fundamental host-microbiome interaction at atomic resolution, our findings provide a vital structural framework for the rational design of IgA-directed biotherapeutics and treatments for IgA-deposition diseases, such as IgA nephropathy.

Speaker: Mr Juan S. Ramírez Larrota (IBMB-CSIC)

57 The wARFare of auxin signalling: study on the interactome of Auxin Response Factors

The protein interactome comprises the full repertoire of molecular partners of a given protein, including proteins and small molecules, within a defined cellular and physiological context. Because these interactions are dynamic and condition-dependent, interactome analysis can reveal protein function and the regulatory networks that control it. In this sense, our project focuses on Auxin Response Factors (ARFs), a family of plant-specific transcription factors that regulate auxin-responsive gene expression and thereby shape key developmental processes, including cell elongation and root architecture. Although ARF molecular structure and DNA-binding properties have been characterized, the relationship between ARF molecular structure, interaction partners and phenotypical effects remain incompletely understood.

To characterize ARF-associated complexes in vivo, we will use Nicotiana benthamiana, a tractable model for transient expression and Agrobacterium-mediated transformation. By employing biotin proximity labelling, we aim to capture transient and short-lived ARF interactions in both cytoplasmic and nuclear compartments. In parallel, we are establishing a correlative imaging workflow that exploits complementary instrumentation available at the ALBA synchrotron to investigate ARF localization in cellulo. The workflow combines cryogenic 3D structured illumination microscopy (cryo-3D SIM) of fluorescently tagged ARFs with cryogenic soft X-ray tomography (cryo-SXT) at the MISTRAL beamline. Cryo-SXT will further enable characterization of the cellular phenotype and the consequences of perturbing these interactions in protoplasts. Finally, correlation with hard X-ray microtomography at the FaXToR beamline will extend this analysis to the tissue scale, enabling structural assessment within intact organs.

The project has already achieved several key milestones, including the cloning of an ARF for interactome profiling and fluorescent labeling, the establishment of a complete workflow for protoplast preparation and cryo-soft X-ray tomography imaging, and the acquisition of preliminary hard X-ray microtomography data from seeds. Together, these achievements lay the foundation for the proposed characterization of ARF interactions while establishing a versatile platform for future studies in plant structural biology.

Speaker: Samuele Austoni

58 Tracking antiferroelectric-driven electronic structure changes in CuCrP₂S₆ by μ-ARPES

Transition-metal phosphorus trisulfides (TMPS₃) are van der Waals antiferromagnets with various magnetic ground states, providing a platform for studying two-dimensional magnetism [1,2]. The compound CuCrP₂S₆ exhibits additional ferro-/antiferroelectric order caused by a vertical shift of the Cu atoms and magnetoelectric coupling [2].
Here, we investigate the temperature-dependent electronic structure of CuCrP₂S₆ using micro-scale angle-resolved photoelectron spectroscopy (μ-ARPES) between 300 K and 15 K. The measured band structure is compared with density functional theory (DFT) calculations. Across the antiferroelectric transition, we observe a shift of Cu-derived bands at the Γ point.
DFT calculations for different Cu positions reveal corresponding changes in the density of states (DOS) at the same binding energy, linking the observed electronic structure modifications to the antiferroelectric displacement of Cu atoms.

Speaker: Tim Jacobs (II. Institute of Physics B RWTH Aachen University and JARA-FIT Germany)

59 Ultrastructural Characterization of Plant Leaf Cells with Cryo-Soft X-Ray Tomography at Mistral Beamline

Studying the cellular phenotype of plant cells is crucial for understanding how plants grow, develop, and respond to mutations, pathogens, or environmental stimuli. To this end, a new procedure is presented, based on the application of cryo–soft X-ray tomography (cryoSXT) on protoplasts, enabling the accurate determination of the tridimensional subcelluar structure of plant-derived cells at a spatial resolution of ~50 nm.
The described pipeline takes advantage of the technique's large depth of field and minimal requirements for sample manipulation, allowing it to be applied directly to frozen, hydrated, unfixed, and unstained whole cells. To overcome initial imaging limitations caused by high carbohydrate content in the cell walls, the protoplast preparation protocol was optimized using a cryoSXT-compatible buffer that maintains osmotic pressure. Additionally, data collection strategy was adjusted to increase the effective depth of field to match the protoplast thickness and raise the signal-to-noise ratio.
Using this optimized protocol at the BL09-MISTRAL beamline, several tomograms with improved signal-to-noise ratios were yielded, representing the first nanometer-resolution reconstructions of full cells from land plants. Reconstructed leaf protoplasts from uninfected Arabidopsis thaliana and tomato (Solanum lycopersicum) plants maintained their typical brick shape and continuous plasma membrane, clearly showing the internal morphology and distribution of organelles like the nucleus, chloroplasts, mitochondria, vacuoles, and endoplasmic reticulum. To highlight its potential, the pipeline was applied to tomato leaves infected with Potato spindle tuber viroid (PSTVd). Quantitative and qualitative comparison of infected and uninfected cellular volumes revealed new details on viroid-induced phenotype alterations. Specifically, a highly electrodense RNA accumulation was observed in the host nucleus, divided into a small round zone compatible with the nucleolus and a larger arrow-shaped volume packed against the nuclear membrane.
These examples demonstrate the vast potential of cryoSXT in plant biology for detailed in-depth qualitative and quantitative analyses of cellular substructures.

Speaker: Damià Garriga Rigau

60 Unraveling the mechanisms of ultrafast TLAG growth of superconducting films through correlative multi-technique in-situ synchrotron investigation

The ultrafast Transient Liquid-Assisted Growth (TLAG) [1–5] presents an outstanding opportunity to fabricate low-cost, high-throughput superconducting REBa₂Cu₃O₇ (RE = Y or other rare earth elements, REBCO) films using scalable methods. TLAG enables the growth of epitaxial superconducting films at rates ranging from 100 to 5000 nm/s. However, the fast kinetics of this non-equilibrium process require in-situ techniques to understand its growth mechanism and determine the key process parameters.
Specialized instrumentation was developed to investigate the dynamics of the TLAG process through in-situ monitoring of precursor reactions, intermediate phase evolution, and the formation of the final REBCO superconducting phase using in-situ X-ray Diffraction (XRD) at the Energy Transition CSIC-ALBA Joint Laboratory (ETJL). The setup allows precise control of key process parameters, including temperature, partial oxygen pressure, total pressure, and heating rate, while also enabling ultrafast changes (within a fraction of a second) in both total and partial oxygen pressures. In addition, Mass Spectrometry is used to monitor gaseous reaction products, while in-situ electrical resistance measurements are performed throughout the entire growth process, providing valuable information on the conductivity changes associated with phase transformations and on the growth rate of the superconducting layer.
The electronic structure associated with Cu atoms in the REBCO lattice plays a central role in determining the superconducting properties of these materials.Therefore, in-situ X-ray Absorption Spectroscopy (XAS) experiments were also conducted to investigate the fingerprint of the transient liquid by tracking the evolution of the Cu absorption edge, revealing changes in the Cu oxidation state within the temperature (T) and partial oxygen pressure (Pₒ₂) regions of interest. A fast acquisition approach (100 ms per point), based on selecting a single photon energy corresponding to the Cu¹⁺ edge feature, enabled real-time monitoring of oxidation state changes during the ultrafast growth process. This information is very relevant for the understanding of the REBCO phase formation given the fact that the electronic structure associated with Cu atoms plays a central role in the REBCO lattice and corresponding properties.
The local coordination and electronic structure of Cu atoms were further investigated by XAS at the ESRF synchrotron (Grenoble) at the ID24-DCM beamline, which enables the acquisition of spectra with a spatial resolution of 1 µm². These measurements were combined with X-ray Fluorescence (XRF) mapping to probe the local elemental distribution within the REBCO films. The high spatial resolution and fast acquisition capabilities of ID24-DCM are especially relevant for the fast-screening methodology, in which a gradual compositional variation is introduced into a single sample by inkjet printing. This approach allows many mixed rare-earth (RE₁+RE₂) compositions to be investigated in a single experiment. Combining these synchrotron experiments with machine-learning-based data analysis represents a necessary step towards accelerating knowledge generation.
In summary, the in-situ XRD and XAS techniques implemented at ALBA synchrotron provide complementary time-resolved structural, electronic, and chemical information during the growth process under different processing conditions. When combined with the high-spatial-resolution XAS and XRF mapping performed at ESRF, they generate a unique and highly complementary dataset. Altogether, this approach enables the definition of an optimized processing window for the TLAG method, permitting the unraveling of the TLAG process to reach fundamental insight into the ultrafast growth of REBCO superconducting films.

[1] L. Soler et al. 2024, Nat Commun 11, 344, https://doi.org/10.1038/s41467-019-13791-1
[2] L. Saltarelli et al. Advanced Materials 2025, e10660, https://doi.org/10.1002/adma.202510660
[3] L. Saltarelli et al. 2022, ACS Applied Mater. Interf. 14, 43, 48582, http://dx.doi.org/10.1021/acsami.2c11414
[4] T. Puig et al. 2024, Nature Reviews Physics, 6, 132–148, https://doi.org/10.1038/s42254-023-00663-3
[5] E. Ghiara et al. 2026 Advanced Materials Technologies, 11, e70944, https://doi.org/10.1002/admt.70944

Speaker: Elzbieta Pach (ICMAB-CSIC)

61 Unravelling the multi-scale structural organisation of ileal digesta from protein–seaweed polysaccharide diets

Seaweed-derived polysaccharides such as agar, alginate, carrageenan, and cellulose are increasingly incorporated into food formulations due to their technological and nutritional properties. However, their impact on the gastrointestinal digestion of other food components, in particular proteins, remains poorly understood. In this work, we investigated how different seaweed polysaccharides affect the in vivo digestion of protein-rich diets and their influence on the structural organisation of the resulting ileal digesta under physiological conditions using a pig model.
Nutritionally balanced diets containing model food proteins like casein and whey protein isolate, combined with selected polysaccharides, were fed to pigs fitted with a distal ileal T-cannula. Digesta samples were collected from the terminal ileum and characterised in terms of compositional analysis and a multi-technique approach combining rheology, confocal microscopy, transmission electron microscopy, and small-angle X-ray scattering (SAXS), performed at the ALBA Synchrotron.
Protein digestion was extensive in all formulations, indicating that the inclusion of seaweed polysaccharides did not impair protein bioavailability. Nevertheless, marked differences were observed in the organisation of the undigested material. Confocal microscopy and SAXS revealed that each polysaccharide generated distinct structural environments within the digesta. Alginate promoted the formation of dense heterogeneous networks, whereas agar produced more homogeneous microstructures. Cellulose-containing formulations exhibited pronounced SAXS features associated with ordered nanoscale assemblies, which were consistent with bile salt nanomicelles. These structural differences were accompanied by variations in viscosity and colloidal organisation. The results demonstrate that dietary polysaccharides can substantially modify the multi-scale architecture of intestinal digesta without affecting overall protein digestion. SAXS proved particularly valuable for identifying nanoscale structural rearrangements that are not accessible through other techniques. Understanding how food components influence digesta structure may contribute to the rational design of foods with targeted digestive and nutritional functionalities

Speaker: Yubexi Correa-Marcano

62 Unveiling chemistry at the nanoscale using complementary full-field soft X-ray microscopy

INTRODUCTION
Synchrotron-based full-field soft X-ray transmission microscopy (TXM) provides ~30 nm spatial resolution combined with tunable photon energy, enabling chemical mapping via pixel-resolved X-ray absorption spectra. This technique allows the identification and quantification of chemical species independently of their crystalline state. When the absorption edge of interest lies within the “water window” energy range, TXM additionally enables high-contrast, energy-dependent native imaging of fully hydrated, cryopreserved samples. Furthermore, the two-dimensional chemical information obtained by TXM can be extended into three dimensions by performing tomography on the same field of view. The combination of intermediate spatial resolution, penetration depth, and chemical sensitivity makes TXM an ideal complementary tool in correlative and multi-technique workflows.
METHODS
These capabilities are illustrated through selected examples from recent materials and biological science experiments carried out at the Mistral beamline of the ALBA Synchrotron [1], one of the world’s leading full-field soft X-ray transmission microscopy beamlines.
RESULTS AND DISCUSSION
In [2], cryo-TXM at the N K-edge was crucial for ruling out a continuous transformation of melanosomes (melanin-rich organelles) into guanine crystal-containing organelles in zebrafish dorsal fin cells, complementing previous observations obtained by cryo-electron imaging techniques. In [3], TXM was applied to α-MnO₂ cathodes of rechargeable aqueous Zn–MnO₂ batteries at different states of charge. Imaging at the Mn L-edge enabled the visualization of Mn(III)-rich regions at the nanowire borders, providing enhanced sensitivity to local oxidation state. Combined with operando hard X-ray absorption spectroscopy and electron microscopy, these observations refined the understanding of the electrochemical mechanisms governing this complex battery system.
CONCLUSION
These applications demonstrate that TXM provides unique capabilities, bridging critical gaps in spatial resolution, penetration depth, and chemical sensitivity among other imaging and spectroscopic techniques.
[1] Sorrentino, A., et al., ‘MISTRAL: a transmission soft X-ray microscopy beamline for cryo nano-tomography of biological samples and magnetic domains imaging’. J. Synchrotron Rad. (2015), 22, 1112-1117. DOI: 10.1107/S1600577515008632
[2] ‘De novo organelle biogenesis and metabolic rewiring drive direct cellular transdifferentiation’, Yael Noy et. al. PNAS submitted.
[3] Liu, C., et al. ‘Unveiling Capacity Limitations of MnO2 in Rechargeable Zn Chemistry’. Energy Environ. Sci., (2025),18, 9611-9622. DOI: 10.1039/D5EE03588K

Speaker: Andrea Sorrentino

63 Unveiling the Molecular Architecture and Substrate Interplay of a Bacterial Immune Evasion Protease through Cryo-EM and Macromolecular Crystallography.

Pathogenic bacteria have evolved numerous virulence factors to overcome host defense mechanisms. Among the most effective are secreted proteolytic enzymes (proteases) that specifically target and inactivate key proteins of the human immune system, critically including protective mucosal antibodies such as Immunoglobulin A (IgA), at the host-pathogen interface. This represents a vital immune evasion strategy, facilitating bacterial colonization and infection. The high substrate specificity of these IgA-cleaving proteases suggests a sophisticated, exosite-driven molecular recognition mechanism that is currently not well understood.

Our project aims to address this knowledge gap by establishing an integrative structural biology pipeline to elucidate the molecular basis of this IgA-cleavage activity. We are utilizing single-particle cryo-electron microscopy (cryo-EM) at the ALBA-hosted JEMCA facility to determine the high-resolution, three-dimensional structure of the enzyme, both in its free state and in complex with its large antibody substrate. To complement these studies and capture the full conformational landscape, we plan to leverage ALBA's macromolecular crystallography (MX) beamlines, XALOC and XAIRA, for high-resolution analysis of the enzyme's rigid domains and to facilitate future high-throughput inhibitor screening.

This multimodal approach will provide comprehensive atomic-level insight into the enzyme's architecture and the dynamic enzyme-substrate interplay. Ultimately, our research will establish an atomic framework for understanding this fundamental host-pathogen interaction and provide the foundation for the rational design of therapeutic inhibitors. Furthermore, our findings will set the stage for the development of these enzymes as precision tools in proteomics-based disease monitoring, and potentially, even as a targeted treatment for IgA nephropathy.

Speaker: Dr Cristina Machon (IBMB-CSIC)

Fri, September 4

Beamlines Upgrade Program

64 Beamlines Upgrade Program

Speaker: Josep Nicolàs Roman

65 Workflows & Data Policy

Speaker: Óscar Matilla Barceló

66 Early Career Award

10:20 AM Coffee break

Electronic & Magnetic Structure of Matter

67 Invited Speaker

Speaker: Felix Buettner (Helmholtz-Zentrum Berlin & University of Augsburg)

68 Local structure, electronic inhomogeneity and charge density wave fluctuations in KV3Sb5 kagome superconductor

Kagome superconductors provide an ideal platform for investigating the interplay between non-trivial band topology, electronic correlations, lattice instabilities, and unconventional superconductivity [1,2]. Among them KV$_3$Sb$_5$ has attracted considerable interest owing to the coexistence of superconductivity and charge density wave (CDW) order [1-4], offering a unique opportunity to explore the microscopic origin of correlated electronic phases.

Here, we combine temperature-dependent X-ray absorption spectroscopy (XAS) with spatially resolved XAS ($\mu$XAS) and nano-focused angle-resolved photoemission spectroscopy (nanoARPES) to investigate the relationship between local distortions and electronic ordering in KV$_3$Sb$_5$. XAS measurements reveal clear signatures of local structural changes across the CDW transition [5]. In particular, the V-Sb bond distance exhibits an anomaly already above the CDW transition temperature (T$_{CDW}\sim$78 K), indicating the presence of precursor lattice distortions. XANES measurements further demonstrate that these structural modifications are accompanied by changes in the electronic states, providing evidence for CDW-related electronic fluctuations well above the onset of long-range order.

Complementary nanoARPES measurements directly visualize the spatial evolution of the electronic structure [6]. At low temperature, the material displays a percolative network of CDW domains with distinct spectral signatures, revealing intrinsic inhomogeneity. These textures disappear at room temperature, where a homogeneous electronic structure is recovered, consistent with the melting of CDW correlations. The combined results provide a unified picture in which local lattice distortions precede and promote the development of electronic ordering, highlighting the strong coupling between lattice and electronic degrees of freedom in the kagome superconductor KV$_3$Sb$_5$.

References:

[1] S. D. Wilson et al., Nature Reviews Materials 9, 420 (2024).
[2] M. Li at al., Chinese Physics B 34, 017101 (2025).
[3] K. Jiang et al., National Science Review 10, nwac199 (2023).
[4] X. Lai et al., Small Methods, 2402163 (2025).
[5] G. Tomassucci et al., Journal of Physics and Chemistry of Solids 211, 113449 (2026).
[6] G. Tomassucci et al., Journal of Physics: Condensed Matter (2026).

Speaker: Giovanni Tomassucci (Department of Physics, Sapienza University of Rome, P. le Aldo Moro 5, 00185 Roma, Italy)

69 Virtual-Electrode LEEM for in-situ studies of Li and Na anode formation

Reversible anode-free solid-state batteries require precise control of alkali-metal nucleation, growth, and dissolution at buried solid-electrolyte/current-collector interfaces, yet these processes remain challenging to probe operando. Here, we introduce virtual-electrode low-energy electron microscopy (VE-LEEM), complemented by PEEM and AFM, for direct nanoscale visualization of anode formation and dissolution. The alkali metal anode is grown (plating) directly onto the solid-state electrolyte driven by the electric charge provided by the LEEM gun (virtual electrode). The process can be reversed (stripping) by the positive charge from the photoemission process under the UV lamp illumination.
We track the early stages of Li and Na plating, showing that both systems converge towards common scaling behavior governed by surface energetics. Stripping proceeds asymmetrically through grain-boundary unzipping and cluster decay. We discuss VE-LEEM studies of ultrathin metallic interlayers and temperature effects, which modify interfacial energetics, diffusion pathways, and growth behavior. These results establish VE-LEEM as a powerful approach for resolving buried interfaces and guiding the design of durable, high-energy solid-state batteries [1].
[1] J. Díaz-Sánchez et al., Nanoscale imaging reveals critical plating and stripping mechanisms in anode-free lithium and sodium solid-state batteries, arXiv:2603.00998 (2026).

Speaker: Natalia Kwiatek-Maroszek

70 Timing-dependent in vivo cobalt doping of magnetosome chains

Magnetotactic bacteria are microorganisms capable of aligning with and navigating along geomagnetic field lines thanks to the presence of one or more chains of magnetic nanoparticles synthesized within their cells. These chains behave as intracellular compass needles under an external magnetic field. The biomineralized nanoparticles, known as magnetosomes, have attracted considerable attention because they combine high chemical purity and crystallinity. Their distinctive properties have motivated the use of magnetosomes and magnetotactic bacteria in biomedical applications [1]. In the last years, several groups have proposed different strategies, focused on in vivo processes [2-3] to tune the composition of the magnetosomes to overcome the natural limitations. However, only limited amounts of dopant elements are generally incorporated into the magnetosome structure, resulting in minor modifications of their room-temperature magnetic properties [4].
In this work, we go one step further by evaluating the optimal stage for cobalt addition during magnetosome biomineralization in Magnetospirillum gryphiswaldense. We observe that the timing of Co supplementation directly affects the doping dynamics. Magnetic measurements reveal enhanced magnetic hardness, particularly when cobalt is added at more advanced stages of the biomineralization process. In addition, the hysteresis loops suggest the progressive emergence of two magnetic phases as Co incorporation takes place later during magnetosome formation. XAS and XMCD at the Fe and Co L3-edges reveal that cobalt is incorporated as Co2+ in octahedral positions, directly influencing the magnetocrystalline anisotropy of the doped nanoparticles. Furthermore, comparison of Fe L3-edge XMCD measurements acquired in transmission mode (bulk-sensitive) and total electron yield mode (surface-sensitive) provides not only quantitative information on cobalt incorporation, but also insight into its location within the magnetosome particles as a function of the Co-addition timing.
References
• [1] Fdez-Gubuieda, M.L., et al., J. Appl. Phys. 2020, 128, 070902.
• [2] Staniland, S.; et al., Nat. Nanotechnol. 2008, 3, 158-162.
• [3] Marcano, L.; et al. J. Phys. Chem. C 2018, 122, 7541-7550.
• [4] Muñoz, D., Marcano, L.; et al.; Sci. Rep. 2020, 10, 11430.
• [5] Fdez-Gubuieda, M.L., et al., ACS Nano, 2013, 7, 3297–3305.

Speaker: Marco Vardanega (Universidad de Oviedo)

71 Microscopic Insights into Magnetic Warping and Time-Reversal Symmetry Breaking in Topological Surface States of Rare-Earth-Doped Bi2Te3

Rare-earth magnetic adatoms offer a promising pathway to manipulate the electronic and magnetic properties of topological insulators by locally breaking time-reversal symmetry [1]. In this work, we investigate the interaction of submonolayer erbium (Er) on the surface of Bi₂Te₃ through a comprehensive experimental approach combining synchrotron-based spectroscopy with local probe microscopy [2].
The electronic structure evolution was characterized by X-ray photoemission spectroscopy (XPS) and angle-resolved photoemission spectroscopy (ARPES) at the LOREA beamline of the ALBA Synchrotron, revealing the modification of the topological surface state, including a pronounced reconstruction of the Fermi surface, the opening of a gap at the Dirac point, and momentum-dependent spectral changes induced by Er adsorption. The magnetic properties of the Er adatoms were determined by X-ray magnetic circular dichroism (XMCD) measurements performed at the BOREAS beamline, demonstrating a strong out-of-plane magnetic anisotropy that provides the magnetic symmetry breaking required to modify the topological electronic states. Complementary scanning tunneling microscopy and spectroscopy (STM/STS), carried out at IMDEA Nanociencia, together with quasiparticle interference analysis, provide atomic-scale insight into the adsorption geometry, the local electronic structure, and the resulting changes in the surface scattering processes.
This work provides microscopic insight into the interplay between magnetism and topology at the surface of Bi₂Te₃, establishing rare-earth surface doping as an effective strategy to tailor topological electronic states with atomic-scale precision. These findings open new avenues for engineering magnetic topological phases and represent a significant step toward the realization of phenomena such as the quantum anomalous Hall effect.
[1] B. Muñiz Cano, …, and M. A. Valbuena, “Experimental Demonstration of a Magnetically Induced Warping Transition in a Topological Insulator Mediated by Rare-Earth Surface Dopants ”Nano Lett. 2023, 23, 13, 6249–6258
[2] B. Muñiz Cano, …, M. Garnica and M. A. Valbuena, “Microscopic Insights into Magnetic Warping and Time-Reversal Symmetry Breaking in Topological Surface States of Rare-Earth-Doped Bi2Te3.” Adv. Mater. (2025): e10877. https://doi.org/10.1002/adma.202510877

Speaker: Miguel Angel Valbuena (IMDEA Nanociencia)

72 Assessment of thin film superconductivity with atomic-resolution TEM imaging and analysis in advanced and innovative materials or heterostructures

The development of superconducting thin films for quantum technologies, cryogenic electronics, and energy-efficient devices requires precise control of atomic-scale structure, chemistry, and interfaces. This contribution demonstrates how advanced transmission electron microscopy (TEM) techniques provide a comprehensive framework for assessing the structural characteristics that govern superconducting performance, such as in adavnced thin-film heterostructures featuring proximity effects. Emphasis is placed on the correlation between atomic-resolution imaging, nanoscale chemical analysis, and interface quality in multilayer systems deposited on technologically relevant substrates.

The presented micrographs illustrate a representative Ti/Al thin-film stack grown on a 4H-SiC substrate. High-resolution TEM reveals a continuous and abrupt Al/Ti interface with well-defined lattice fringes, while the Ti layer exhibits a columnar nanocrystalline morphology extending across the film thickness. Cross-sectional STEM imaging confirms the uniformity of the deposited layers and the conformal coverage over patterned topography. Complementary high-angle annular dark-field (HAADF) imaging and elemental mapping clearly distinguish the spatial distribution of Al, Ti, and Si, demonstrating limited elemental intermixing and excellent compositional integrity throughout the heterostructure. The presence of a thin oxidized Al surface layer, identified during lamella preparation, further highlights the sensitivity of electron microscopy for detecting nanoscale surface modifications that may influence device fabrication and reliability.

These results exemplify the capability of state-of-the-art TEM methodologies to quantify crystalline quality, interface sharpness, grain morphology, oxidation, and chemical homogeneity with nanometer and atomic resolution. Such information is essential for understanding the relationship between microstructure and superconducting properties, including critical temperature, critical current density, and coherence across interfaces. The presented approach establishes advanced electron microscopy as an indispensable characterization platform for the design, optimization, and reliability assessment of next-generation superconducting thin films and hybrid quantum materials.

Speaker: Gemma Rius (IMB-CNM-CSIC)

Life Sciences

73 Invited Speaker

Speaker: Elena Longo (Elettra Sincrotrone, Italy)

74 Design and cryo-EM structures of protein cages based on helical fusion and machine learning

Self-assembling protein cages are versatile nanoscale architectures with broad applications in drug delivery, vaccine development, and structural biology. Historically, two main strategies have been used to construct such cages: genetic fusion of oligomeric domains connected by helical linkers, and computational interface design using either physics-based or machine learning-based methods. Here, we extend the original fusion approach using modern AI algorithms and more sophisticated treatments of helix bending to create protein cages with novel architectures composed exclusively of trimeric building blocks arranged in tetrahedral symmetry. Of fifteen designs tested experimentally, multiple sequence variants of two of these designs assembled predominantly into soluble, monodisperse particles of the expected size. Cryo-electron microscopy (cryo-EM) structures of three distinct sequence variants spanning from 3.0-3.9 Å in resolution confirmed the intended structures in atomic detail, with C-alpha RSMD values over the entire assemblies as low as 2 Å. The predicted modes of helix bending were similarly validated. The results highlight the impact of methodological improvements for achieving a level of regularity and design precision that has largely evaded prior applications of the fusion approach. These findings expand the prospects and accessible design space for self-assembling protein nanomaterials.

Speaker: Dr Roger Castells-Graells (Spanish National Cancer Research Centre (CNIO))

75 An integrated cloud-based platform for synchrotron X-ray phase contrast imaging data analysis and clinical data management

Synchrotron-based X-ray phase-contrast imaging (X-PCI) enables non-destructive, high-resolution three-dimensional visualisation of soft-tissue microstructure at sub-micron scales, offering unique insights into tissue organisation that are inaccessible with conventional histology [1]. However, the analysis and clinical interpretation of synchrotron datasets in research and clinical contexts require overcoming significant practical barriers: large data volumes, computationally intensive pipelines, complex heterogeneous 3D morphology, and the challenge of integrating imaging findings with clinical data. We present a part of the TransCOR Image Analysis Platform, developed at Universitat Pompeu Fabra, as a cloud-based research environment connected to a high-performance computing cluster, designed to support the researcher from the moment data leaves the synchrotron without requiring local infrastructure or computational expertise. The platform is modality- and organ-agnostic and is currently being developed and used to analyse cardiac and liver tissue imaged at the TOMCAT beamline (Swiss Light Source) and the FaXToR beamline (ALBA Synchrotron).
An overview of the platform is shown in Figure 1 (in attachments). The platform offers several integrated capabilities: (i) preprocessing tools including bit-depth conversion and contrast stretching for inter-sample intensity normalization; (ii) a web-based 3D visualiser for interactive inspection via orthogonal views, volume rotation, and bounding box cropping; (iii) AI-based segmentation models, such as nnUNet [2] or Segment Anything [3]; (iv) quantification of tissue-specific morphological features, including fiber orientation [4] and vascular network morphometry; (v) ML-based analysis for unsupervised representation learning via patch-based UMAP embedding and interactive clustering [5]; (vi) joint analysis linking imaging findings to longitudinal clinical data structured around patient events; and (vii) population analysis combining imaging and clinical data for multi-sample statistical and ML-based studies.
Together, these capabilities provide an online pipeline from reconstructed synchrotron data to interpretable, clinically contextualised results. The TransCOR platform is under active development and is being used to analyse post-transplant endomyocardial biopsies [6] and porto sinusoidal vascular disease liver biopsies [7], to establish a general-purpose system for synchrotron-based tissue research across institutions and organ systems.

References
[1] Dejea H, Scientific Reports. 2019.
[2] Isensee F, Nature Methods. 2021.
[3] Kirillov A, ICCV. 2023.
[4] Brunet J, Journal of Open Source Software. 2026.
[5] Seabra M, CASEIB 2024. 2024.
[6] Planinc I, Transplant International. 2023.
[7] De Gottardi A, The Lancet Gastroenterology & Hepatology. 2019.

Speaker: Mariana Lourenço Seabra (University Pompeu Fabra)

76 Structural elucidation of a dehalogenase designed with REXzyme: an encoder-decoder model trained on enzymatic reactions

Per- and polyfluoroalkyl substances (PFAS) belong to a family of more than 4000 compounds known as “forever chemicals”; the high stability of C–F bonds hinders their degradation, hence their extensive spread and presence in the environment. PFAS have been related to a broad spectrum of medical conditions such as hypothyroidism, decreased antibody levels in neonates, or endometrial dysregulation; evincing the complexity of their chemistry and the emerging threat they pose. As an initiative to address this growing concern, we designed dehalogenase variants with REXzyme, an encoder-decoder transformer model that generates enzymes for user-defined chemical reactions. 119 designed sequences were expressed and purified in a high-throughput manner with an Opentrons Flex robot to test their activity against both chlorinated and fluorinated species of AcOH. Five candidates were active against FAcOH, and from those candidates two of them were also active against F2AcOH. In addition, eighteen were active against ClAcOH, and from those candidates nine of them were also active against Cl2AcOH. Among all these candidates, two of them stood out because they were active against all four compounds, compared to the natural dehalogenase Rha0230 from Rhodococcus jostii, which is only active against monohalogenated species. Such candidates were both analysed by SAXS and subjected to screening of crystallization conditions. SAXS proved they behave as globular dimers in solution. Regarding the crystallization screening, only one candidate rendered well-diffracting crystals among several conditions, reaching 1.8 Å at the outer resolution shell. Data processing and integration with XDS was followed by Molecular Replacement (MR) in Phenix using its AlphaFold prediction. Surprisingly, MR failed when the search was done with the predicted dimer due to clashes, whereas two iterative searches with the predicted monomer provided a successful initial model. Refinement of the working model achieved Rfree/Rwork=0.2314/0.1992 with no Ramachandran outliers, yet no fluoride coordination was observed in the catalytic centre. A potential strategy could be soaking the crystals with the substrate and perform time-resolved crystallography, which may capture the different steps of the catalytic reaction. Such an approach would let us discern whether the better activity of our design relies on substrate recognition and reaction mechanism or structural reorganization of the backbone to enhance the catalysis.

Speaker: Dr Ramiro Illanes Vicioso (Centre of Genomic Regulation)

77 Multimodal Imaging of Silica Nanoparticle Distribution: Impact of Concentration and Cell Doubling Time

Silica nanoparticles (SiNPs) have emerged as promising nanoplatforms for both the diagnosis and treatment of diseases. A comprehensive understanding of nanoparticle–cell interactions is essential for advancing nanomedicine, yet most studies rely on static observations and lack volumetric information under near-native conditions. Among the factors influencing cellular uptake, the formation of the protein corona plays a key role in modulating nanoparticle behavior and reducing cytotoxicity. Here, we establish a synchrotron-based correlative X-ray microscopy framework to investigate how nanoparticle concentration and successive cell-division cycles govern the intracellular fate of SiNPs in macrophages. Fluorescent SiNPs internalized by RAW 264.7 macrophages were analyzed using a multimodal imaging workflow combining cryo-soft X-ray tomography (cryo-SXT), cryogenic structured illumination microscopy (cryo-SIM), coherent X-ray ptychography, and confocal fluorescence microscopy. Experiments were conducted at the B24 beamline of Diamond Light Source, the Mistral beamline of ALBA Synchrotron, and the Cateretê beamline of Sirius. Correlative cryo-SXT and cryo-SIM reveal a concentration-dependent redistribution of nanoparticle-containing vesicles from peripheral endosomal regions toward the perinuclear area. Cryo-SIM confirms persistent vesicular confinement. At higher concentrations, nanoparticles approach the nuclear region through vesicles associated with nuclear-envelope invaginations, an event not observed at lower concentrations. Successive cell divisions further redistribute the intracellular nanoparticle load and promote stable perinuclear clustering, indicating a long-term sequestration pathway. Confocal fluorescence microscopy supports these observations at the population level, revealing concentration-dependent increases in ATTO-633 signal intensity and progressive clustering over time. After two doubling times, fluorescence is predominantly localized in the perinuclear region, suggesting accumulation mediated by late endocytic processes or vesicle maturation. Coherent X-ray ptychography further reveals nanoscale deformations of the nuclear envelope associated with perinuclear vesicle accumulation. These results establish correlative synchrotron-based multimodal imaging as a powerful multiscale platform for resolving the dynamic intracellular fate of nanoparticles, with important implications for the design of safer and more effective nanomedicine strategies.

Speaker: Isabella Scarpa (ALBA Synchrotron)

78 Invited Speaker

Speaker: Tobias Weinert (PSI)

Materials Science

79 Invited Speaker

Speaker: Gema Martínez-Criado (European Synchrotron Radiation Facility)

80 ML-driven Thermal mapping Using SR-FTIR Spectroscopy

Accurate microscale temperature mapping is critical for the reliable operation of nanocalorimetric devices, particularly under synchrotron-based experimental conditions, where localized heating and steep thermal gradients can strongly affect measurement outcomes. In this work, we present a non-contact, data-driven methodology that combines synchrotron radiation Fourier-transform infrared spectroscopy (SR-FTIR) thermometry with machine learning to reconstruct spatial temperature distributions in SiNₓ–SiOₓ nanocalorimetry chips. Temperature-dependent infrared spectra were used to train and evaluate several regression models, including linear, ensemble, kernel-based, and deep learning approaches. Among these, Gaussian Process Regression achieved the best performance, with R² = 0.996 and RMSE = 7.1 °C, demonstrating high predictive accuracy and robust generalization across experimental conditions. Model interpretability was assessed using SHAP analysis, which identified the most relevant spectral regions as those associated with thermally responsive vibrational modes of the Si–O network. Finite element modelling, incorporating experimentally determined emissivity and convective boundary conditions, was further employed to simulate heat transport and validate the machine-learning-derived temperature maps. The close agreement between finite element simulations and machine learning predictions confirms the reliability of the proposed approach, while also highlighting the capacity of machine learning to capture complex experimental effects not explicitly represented in the physical model. Overall, this integrated framework provides a rapid, non-contact, and spatially resolved strategy for thermal diagnostics in microscale systems, with potential applicability to other material platforms and operando synchrotron experiments.

Speaker: Emigdio Chavez Angel (ICN2)

81 Precise Node Metalation in a Zirconium Metal-Organic Framework Enables Highly Efficient PFOA Capture via Synergistic Adsorption Sites

Per- and polyfluoroalkyl substances (PFAS) are persistent man-made chemicals that have posed major environmental issues in recent decades, deteriorating water quality. Perfluorooctanoic acid (PFOA) is a prominent member of these contaminants, as its extreme resistance and widespread bioaccumulation have raised worldwide concerns [1,2]. Developing more effective strategies to remediate aqueous sources from PFOA is therefore an urgent priority.

In this work [3] we introduce secondary-metal incorporation as a promising design strategy to improve PFOA adsorption in metal-organic framework (MOF) materials. Rational insertion of iron species was achieved within the nodes of the zirconium-based MOF-808 structure (Figure 1). This structural modification creates multiple accessible PFOA binding sites in close proximity, thereby promoting several synergistic interactions with the pollutant. As a result, the functionalized material achieves PFOA removal from water within minutes and shows improved experimental adsorption uptakes compared to the pristine MOF.

Ex/in situ synchrotron techniques (XAS analysis performed at BL-16 NOTOS beamline in ALBA) coupled with theoretical calculations provided unique insights in order to elucidate the framework structure and the synergistic adsorption mechanism. The results reveal a promising design strategy to improve PFAS adsorption via multiple-interaction mechanisms in MOFs, towards more efficient water remediation.

Figure 1: Schematic capture of perfluorooctanoic acid using Fe-functionalized MOF-808.

References
1 S.Y. Wee, A.Z. Aris, npj Clean Water 2023, 6, 57.
2 L. Ahrens, M. Bundschuh, Environ Toxicol Chem, 2014, 33, 9, 1921.
3 S. Marugán-Benito, M. Vlachos, L. Ahrens, M. Roselló, C. Marini, J. Prat Albert, A. Mavrandonakis, E. Loukopoulos, A. E. Platero-Prats, J. Am. Chem. Soc. 2026, 148, 19, 19672.

Speaker: Edouardos Loukopoulos

82 In-situ GIWAXS to Reveal Formation Mechanisms and Degradation Pathways in Halide Perovskites

Over the past decade, hybrid organic-inorganic halide perovskites have enabled remarkable advances in the performance of solar cells [1] and light-emitting diodes [2]. However, their commercial implementation remains limited by stability issues, structural defects, [3] and the use of toxic solvents in conventional solution-based processing. In this context, our group leverages in-situ synchrotron-based techniques, such as GIWAXS, SAXS/WAXS, PDF analysis, and other scattering methods to reveal the structural and chemical mechanisms governing formation, performance and stability of these materials. [1-4] Understanding these real-time dynamics during different treatments (e.g. temperature, humidity and radiation) is crucial to unlocking novel processing routes, such as solvent-free melt-processing.

In this talk, we focus on the use of in-situ Grazing-Incidence Wide-Angle X-ray Scattering (GIWAXS) to track structural transformations and crystallographic orientation in two-dimensional halide perovskite films during controlled thermal treatments. Using synchrotron radiation, we monitor melting, crystallization pathways, and thermal degradation in real time. These measurements reveal how processing conditions determine both the final crystal orientation and the onset of material degradation.

Building on these insights, we analyze the temperature-dependent structural evolution, the possible texturization during recrystallization, and the specific pathways leading to degradation. By correlating thermal history with the final structural order and stability of the films, this work provides guidelines for processing well-oriented and stable halide perovskite thin films for next-generation optoelectronic devices.

References
[1] Ruggeri, E.; Anaya, M.* et al., Adv. Mater., 34, 2202163 (2022).
[2] Ramos, S. et al., RSC Adv., 15, 28181-28190 (2025).
[3] Iqbal, A. N.; Anaya, M.* et al, Adv. Mater, 36, 2307508 (2024).
[4] Avila, E.; Salway, H.; Anaya, M* et al., Matter, 7, 4319-4331 (2024).

Speaker: Ms Amel Van Den Berg (Departamento de Física de la Materia Condensada, Instituto de Ciencia de Materiales de Sevilla, Universidad de Sevilla-CSIC, Avenida Reina Mercedes SN, 41012, Sevilla, Spain.)

83 Purifying drinking water with Nafion thin films: a HAXPES study

Self-generated fluid pumping can be achieved with nanostructured Nafion polymer films using different cations as fuel in a wide range of salt concentrations (10-6M-10-2M). It turns out that such Nafion pumps efficiently capture divalent metal cations such as Cd2+, present in contaminated water samples, using the own capture of this ion as fuel to drive fluid pumping. The removal efficiency is >95% in Na+ concentrations typically found in drinking water (23 mg/L). Thus, this system has potential for effective and fast water purification strategies for environmental remediation 1. Here, we have characterized Nafion thin films (≈ 300 nm thick) spin-coated on newly designed 15 nm thick, 60 um × 700 um Si3N4 membranes with HAXPES at the GALAXIES beamline in SOLEIL using recently developed environmental liquid cells (see right insets in Fig. 1) [2]. The Nafion films were soaked in Cd2+ and Pb2+ salts (10-3 M). Figure 1 shows HAXPES spectra acquired with 6.1 keV photons of the F, O and N1s region across the Si3N4 membrane with the beam on (blue) and out (red) of the membrane, evidencing the presence of the Cd3p lines which implies that Cd2+ is efficiently absorbed by the Nafion film. Special care has been taken to mitigate beam damage artifacts, which are particularly detrimental for Nafion, after a systematic characterization. Future experiments using tested circulating liquid cells are foreseen [2].

1 Esplandiu, M.J., Reguera, D., Romero-Guzmán, D. et al. Nat Commun 13, 2812 (2022). https://doi.org/10.1038/s41467-022-30554-7
[2] F. Capone, O. Muntada, J. C. Ramírez, M. J. Esplandiu, R. Dedryvère, A. Grimaud, B. Lassalle-Kaiser, D. Céolin, F. Pérez-Murano, J.-P. Rueff, J. Fraxedas, J. Synchrotron Rad. 31, 1505-1513 (2024); https://doi.org/10.1107/S1600577524008865

Speaker: Jordi Fraxedas (ICN2-CSIC-BIST)

84 Invited Speaker

Speaker: Andreas Menzel (PSI)

Closure

1:40 PM Lunch

85 Visits to the beamlines