I12-JEEP: Joint Engineering, Environmental and Processing
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Diamond Proposal Number(s):
[31697]
Open Access
Abstract: Carbonate reservoirs commonly contain deformation structures whose reactivation depends on their orientation relative to the prevailing stress field. This study experimentally investigates how the presence and orientation of natural deformation features –primarily deformation bands– affect the mechanical behaviour and deformation processes of quartz-rich (∼10 %) carbonate rocks. Triaxial axisymmetric compression tests were conducted at 0–30 MPa confining pressures on cylindrical samples (10 mm diameter), including cores of pristine material or with deformation structures at varying angles to the maximum principal stress. Mechanical tests were performed both on-beam at Diamond Light Source and off-beam, with Digital Volume Correlation applied to characterise strain evolution and micromechanical processes up to failure. The pristine material exhibits a high friction coefficient (μ = 1.07), and under confining pressures of 10–25 MPa, failure consistently localises along planes oriented ∼22° to the maximum principal stress. Natural deformation bands exert a strong control on macroscopic strength: favourably oriented bands reactivate readily and significantly reduce peak strength, whereas unfavourably oriented bands inhibit reactivation and promote the formation of new Coulomb-oriented fractures. Strain field analyses reveal that both bands remain inactive at low deviatoric stresses. Earlier localisation takes place in favourably banded samples, while pristine and unfavourably banded samples localise only at later loading stages. During macroscopic failure, X-ray images show pristine and unfavourably banded samples to develop macroscopic fractures with higher apertures, whereas favourably banded samples display slip-dominated reactivation. Grain crushing and pore collapse are obvious in both natural deformation bands. These results demonstrate that natural pre-existing deformation structures and their orientation critically influence strain localisation and strength in the tested quartz-rich carbonate samples, with implications for reservoir stability, fault damage zones, and engineered subsurface systems.
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Dec 2026
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I07-Surface & interface diffraction
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Ehsan
Rezaee
,
Dimitar
Kutsarov
,
Esther Y.-H.
Hung
,
Benjamin M.
Gallant
,
Weidong
Xu
,
Yukun
Guo
,
Apostolos
Panagiotopoulos
,
George
Koutsourakis
,
Fernando A.
Castro
,
Samuel D.
Stranks
,
Henry J.
Snaith
,
S. Ravi P.
Silva
Diamond Proposal Number(s):
[36427]
Abstract: Commercialisation of perovskite photovoltaics (PV) hinges on scalable, environmentally responsible manufacturing; a challenge compounded by the widespread use of toxic solvents in current ink formulations. Here, we introduce a significantly reduced toxicity (SRT) solvent system for methylammonium lead iodide (MAPbI3) perovskite inks, specifically engineered for room-temperature, gas blowing assisted bar coating. Our formulation, based on ethanol and 2-methyltetrahydrofuran (2MeTHF) with a minimal fraction of dimethyl sulfoxide (DMSO), enables rapid crystallisation under mild thermal conditions following deposition, ensuring compatibility with both rigid and flexible substrates. This approach delivers uniform, defect-free perovskite films across large areas, validated through multi-scale characterisation techniques. Leveraging this SRT ink, we fabricate monolithically interconnected mini-modules (active area: 11.5 cm²) using a laser-based P1–P4 scribing process, achieving power conversion efficiencies (PCEs) exceeding 18%, among the highest reported for green, scalable perovskite processing. Performance gains are further enhanced by integrating bar-coated self-assembled monolayers (SAMs) as hole transport layers (HTLs), demonstrating industrial viability without compromising efficiency. Beyond device metrics, this work establishes a new sustainability benchmark by eliminating hazardous solvents and aligning with green chemistry principles, including low toxicity, biodegradability, and reduced environmental persistence. Our findings represent a critical step toward high-throughput, eco-friendly fabrication of perovskite solar modules, bridging the gap between laboratory innovation and industrial deployment.
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Dec 2026
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I03-Macromolecular Crystallography
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Diamond Proposal Number(s):
[39189]
Open Access
Abstract: The enzymes Cannabichromenic Acid Synthase (CBCAS), Cannabidiolic Acid Synthase (CBDAS) and Tetrahydrocannabinolic Acid Synthase (THCAS) are together the major cannabinoid synthase enzymes responsible for the biosynthesis of their respective metabolites from a common precursor Cannabigerolic Acid (CBGA). As the catalysts responsible for generating biological molecules of significant pharmaceutical value, there has been considerable interest in the enzymes with respect to heterologous production, mechanism, and incorporation into synthetic biology pathways for the facile industrial production of these molecules. The enzymes share high degrees of homology, and therefore their distinct specificities are governed by very subtle differences in sequence and therefore structure, although, until now, only a structure for THCAS has been reported. In this report, we present structures of CBCAS, CBDAS and a structure of THCAS at a higher resolution than the known structure, each in complex with their flavin coenzyme FAD. The structures reveal active site differences that may be responsible for the complementary activities observed, in terms of both first-shell amino acid substitutions, but also in more remote residues that influence active site topology through referred effects, or that have effects on substrate access. The structures provide a useful and informative platform for the rational engineering of improved or altered chemoselectivity in these enzymes.
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Dec 2026
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Detectors
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N.
Goyal
,
F. J.
Iguaz
,
S.
Aplin
,
A.
Balerna
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P.
Bell
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J.
Casas
,
M.
Cascella
,
S.
Chatterji
,
C.
Cohen
,
E.
Collet
,
E N.
Gimenez
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H.
Graafsma
,
H.
Hirsemann
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K.
Klementiev
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T.
Kolodziej
,
T.
Martin
,
Ralf H.
Menk
,
C.
Menneglier
,
C.
Meraihia
,
J. R.
Murias
,
M.
Porro
,
M.
Quispe
,
B.
Schmitt
,
S.
Scully
,
M.
Turcato
,
C.
Ward
,
E.
Welter
Open Access
Abstract: The first operational prototype of a high-purity germanium (HPGe) detector developed within the European LEAPS-INNOV project is presented in this work. This prototype features a monolithic, multi-element sensor optimized for high-resolution X-ray spectroscopy in the hard X-ray regime, intended for handing high count rates of 30 Mcps, across a broad energy range (5–100 keV). The present prototype demonstrates a throughput of about 150–200 kcps/pixel, corresponding to a total count rate of about 1.5–2 Mcps for the full 10 element detector. We discuss here a complete laboratory-based characterization of the detector’s performance, as well as an on-beam evaluation at the BM05 beamline of the ESRF synchrotron facility, using monochromatic X-rays in the 20–50 keV energy range. We provide a detailed performance assessment that also includes a phenomenological defect-depth estimation model.
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Dec 2026
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I04-Macromolecular Crystallography
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Diamond Proposal Number(s):
[34182]
Open Access
Abstract: Chikungunya virus (CHIKV) outbreaks impose significant burdens on healthcare systems and raise an urgent need for effective antiviral therapies. So far there are no specific drugs against CHIKV infection. CHIKV-encoded macrodomain is critical for virulence and counteracts the host immune response, representing a promising antiviral drug target. Here, we describe small molecule inhibitors targeting the CHIKV macrodomain. Compound 1 (MDOLL-0273) was identified through a high-throughput screening using a fluorescence resonance energy transfer based assay, exhibiting an IC50 of 8.9 μM, and its inhibitory activity was validated through multiple orthogonal assays. The compound features a thiobarbiturate-indole scaffold and shows high selectivity over a panel of human and viral ADP-ribose binding and hydrolyzing proteins. X-ray crystallography revealed that the inhibitor occupies an adenine binding site of the macrodomain and extends into a novel cryptic pocket. Guided by structure-activity relationship studies, compound 11 (MDOLL-0591) of the developed series with similar IC50 of 10 μM but with increased lipophilicity was discovered to have antiviral activity against CHIKV in cell culture, demonstrating that macrodomain could be targeted in virus infections.
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Nov 2026
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B18-Core EXAFS
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Diamond Proposal Number(s):
[34632]
Open Access
Abstract: Carbon dioxide (CO2) hydrogenation represents a central route for sustainable fuel production and carbon recycling, yet its efficiency is critically dependent on the structural and electronic properties of the catalyst. In practical heterogeneous systems prepared by conventional wet-chemical methods, a distribution of active sites, ranging from atomically dispersed species to subnanometric clusters and nanoparticles, typically coexist in the final catalyst. Here, we investigate how support defect engineering governs this distribution in Ru/TiO2 catalysts with varying metal loadings and oxidative pre-treatments. Comprehensive spectroscopic and imaging analyses, including XPS, HR-STEM, and XAS established a clear correlation between Ru structure and catalytic behavior. Critically low Ru loadings (0.2 wt%) induced a transition from metallic nanoparticles to highly dispersed and single atom species, while oxidative pretreatment generated RuO2 like domains. A fraction of isolated Ru atoms persisted, particularly on defect-rich TiO2, where oxygen vacancies act as anchoring sites, improving stability under redox conditions. Catalytic testing revealed that Ru dispersion and oxidation state jointly determine activity and selectivity: extended metallic Ru or oxidized Ru nanoparticles favor complete hydrogenation to CH4, whereas isolated Ru species promote CO formation via the reverse water–gas shift pathway. The coexistence of these Ru configurations is associated with enhanced low temperature activity, while defect engineered supports improve stability against deactivation. Defect engineering of TiO2 provides an effective strategy to stabilize atomically dispersed Ru and to balance nanoparticles and atomic species, offering a versatile strategy to tune CO2 hydrogenation performance and advance the design of Ru based catalysts for sustainable hydrogenation processes.
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Nov 2026
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B23-Circular Dichroism
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Xi
Lei
,
Sibo
Peng
,
Nijas
Aliu
,
Rohanah
Hussain
,
Giuliano
Siligardi
,
Tiberiu-Marius
Gianga
,
Xin
Jin
,
Sabrina
Ruggiero
,
Shilpa
Chokshi
,
Luca
Urbani
,
Bernhard F.
Gibbs
,
Elena
Klenova
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Gurprit S.
Lall
,
Gabriela
Dekany
,
Dietmar
Cholewa
,
Steffen M.
Berger
,
Maryam
Abooali
,
Inna M.
Yasinska
,
Song
Xu
,
Elizaveta
Fasler-Kan
,
Vadim V.
Sumbayev
Diamond Proposal Number(s):
[36941, 38189]
Abstract: Human cancer cells and malignant tumours operate immune evasion machinery, which consists of a set of cross-linked biochemical pathways that suppress the activities of immune cells, such as cytotoxic T cells and natural killer cells. Recent evidence demonstrated that the immune evasion machinery operated by human cancer cells is self-sustaining. However, the mechanisms underlying self-regulation of cancer immune evasion networks remain to be understood. Here we report for the very first time that the cell surface receptor CD44 acts as an enhancer of immune evasion activity in human cancer cells rather than an immune checkpoint per se. Furthermore, upon interaction with galectin-9, CD44 was found to alter cell membrane potential and induce the secretion of TGF-β. Secreted TGF-β displays autocrine and paracrine activities following TGF-β receptor (TGFBR) engagement, which was shown to then activate the Smad3 transcriptional pathway. CD44 complexed to galectin-9 allosterically enhances activity of the TGFBR complex and this was shown to substantially amplify the expression of immune checkpoint proteins crucially associated with suppressing the anti-cancer activities of cytotoxic lymphoid cells. We also demonstrated that this is a fundamental pathway used by human embryos to prevent immune rejection and by innate immune cells to facilitate anti-bacterial innate immune response. Cancer cells and malignant tumours hijack and successfully adapt this fundamental pathway to escape immune surveillance and suppress anti-cancer immune reactions. As such, this autocrine loop allows for the self-regulation of immune evasion networks operated by cancer cells and can be considered as a promising target for highly efficient immunotherapy of cancer.
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Nov 2026
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B18-Core EXAFS
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Diamond Proposal Number(s):
[37736]
Open Access
Abstract: Calcium aluminosilicate (CAS) glass was assessed for its ability to immobilize elements present in Plutonium-Contaminated Materials (PCM) including metals (Fe and Cr), polyvinyl chloride (PVC), and Pu (investigated using the nonradioactive surrogates Ce and Hf). Industrial-scale trial melts containing simulant inorganic and organic PCM were characterized to ascertain glass homogeneity, structure, and chemical durability. They were highly durable, comprising a glassy matrix with anorthite (CaAl2Si2O8) crystals. Redox conditions were such that 5–7 mol % Fe, from the melted steel drums, was incorporated in the glass phase, predominantly as Fe2+ in place of Ca, with no significant change to the glass structure. The solubility of Ce and Hf (as Pu surrogates), mixed metal, and PVC in CAS glass was investigated using a series of laboratory-scale melts and shown to exceed those measured in borosilicate glasses. Ce was incorporated in a mixed Ce3+/4+ valence state up to waste loadings of > 3.66 mol % CeO2, while Hf4+ was incorporated to the same extent with no significant change to the CAS structure. Fe was fully incorporated up to 3.43 mol %, but the solubility limit for Cr2O3 was reached between 0.5 and 1 mol %. Laboratory glasses were melted in air, so the majority of Fe was incorporated as Fe3+ in tetrahedral coordination, leading to structural differences between laboratory- and industrial-scale CAS. Chlorine incorporation was low in all systems, likely due to volatilization rather than approaching the solubility limit of Cl in CAS glass.
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Oct 2026
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I03-Macromolecular Crystallography
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Diamond Proposal Number(s):
[34263]
Open Access
Abstract: Deoxyuridine triphosphatase (dUTPase) is essential for DNA replication fidelity and embryonic development in metazoa, yet whether a protein inhibitor can acutely disrupt dUTPase function in a living vertebrate has not been tested. The Staphylococcus aureus Stl protein inhibits diverse dUTPases in vitro, but its efficacy in a eukaryotic organism was unknown. We determined the crystal structure of zebrafish dUTPase in complex with the N-terminal Stl fragment to 2.26 Å resolution, revealing conserved active-site engagement and displacement of the C-terminal arm. Biolayer interferometry confirmed low-nanomolar binding affinity with KD = 0.7 nM, and enzyme assays demonstrated ~50% inhibition of zebrafish dUTPase activity at saturating Stl concentrations. These structural and biophysical data establish that Stl forms a tight inhibitory complex with zebrafish dUTPase, prompting us to test whether this interaction can perturb enzyme function in vivo. Microinjection of Stl or its point mutant, retaining dUTPase-inhibitory activity but unable to bind DNA, into fertilized zebrafish oocytes reduces embryo survival to ~60% within 48 h compared to ~90% in controls, demonstrating that lethality depends on dUTPase targeting rather than DNA binding. Accelerated mortality relative to genetic dUTPase knockout indicates that maternally deposited dUTPase supports viability during early cleavage. Stl thus acts as an immediate, proteinaceous dUTPase inhibitor in a living vertebrate, providing a tool to dissect dUTPase function and regulation during embryonic development.
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Oct 2026
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I04-Macromolecular Crystallography
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Open Access
Abstract: Motivated by the need for a convenient way to demonstrate the growth of crystals in glass plates by the lipid cubic phase method at crystallization workshops and courses, we developed a lightweight, portable, compact and inexpensive digital microscope device. The device is built around hand-held Wi-Fi and hardwired digital microscopes that are available commercially at low cost and that can use cell phones and personal computers for imaging without the need for unwieldy eyepieces. The device provides illumination from above and below the crystallization plate over a range of brightness levels. It can be used with regular white light and with polarized light to detect birefringent crystals. While not the focus of this study, the new device has been shown to also work with batch and vapour-diffusion plates. Remote monitoring of crystallization plates in a cold cabinet or walk-in refrigerator at 4 °C is possible with the Wi-Fi microscope. Crystals grown in lipid cubic phase and vapour-diffusion crystallization plates were harvested with the aid of the new device and used for diffraction data collection, leading to structure determination at high resolution. Most parts of the device were 3D printed in polylactic acid plastic. The corresponding STL files, included as part of this publication, can be used to make replicates of the current microscope and to produce bespoke devices suited to the specific needs of the user. We envision using the new device for outreach activities at primary, secondary and third-level schools, and at science fairs in support of the citizen scientist. Relatedly, in this study examples are included of recorded images of plant and animal tissue sections. One reveals birefringent materials in a tomato leaf. Another shows optically active crystals of calcium oxalate in onion tunic tissue.
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Oct 2026
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