Journal of Synchrotron Radiation最新文献

{"title":"Enhancing resolution with the extended image restoration method: strain field energy and correlation length analysis in Bragg coherent X-ray diffraction imaging.","authors":"Kyuseok Yun, Sungwook Choi, Hyunjung Kim","doi":"10.1107/S1600577525002942","DOIUrl":"https://doi.org/10.1107/S1600577525002942","url":null,"abstract":"<p><p>Understanding atomic-level imperfections is crucial in various technological applications. Bragg coherent X-ray diffraction imaging (BCDI) enables non-destructive, three-dimensional imaging of those materials under in situ and operando conditions but has limited spatial resolution. This limitation hinders accurate calculations of physical quantities, e.g. strain field energy and strain correlation lengths. In this study, we introduce the extended image restoration (ExImRes) method, which infers enhanced resolution images based primarily on the process of averaging and combining multiple datasets obtained by restricting the original measured datasets through binning or cropping. We apply ExImRes to two nanocrystal examples-a chiral gold nanoparticle and a platinum nanoparticle-with an improved spatial resolution that allowed us to obtain precise calculation results of strain field energy and the correlation lengths of atomic deformations. The enhanced images reveal detailed lattice-scale information previously inaccessible through traditional BCDI methods. Our findings advance ExImRes to obtain high-resolution analysis in imaging techniques that involve reciprocal to real space transformations and understand underlying phenomena in materials science.</p>","PeriodicalId":48729,"journal":{"name":"Journal of Synchrotron Radiation","volume":"32 Pt 3","pages":"743-749"},"PeriodicalIF":2.5,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12067331/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144051204","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Global cross-database search system for X-ray absorption spectra.","authors":"Masashi Ishii, Asahiko Matsuda, Koichi Sakamoto, Shohei Yamashita, Yasuhiro Niwa, Yasuhiro Inada","doi":"10.1107/S1600577525002206","DOIUrl":"https://doi.org/10.1107/S1600577525002206","url":null,"abstract":"<p><p>While the importance of a systematic overview of scientific data and demands toward data integration are increasing, data capitalization and confidentiality are also emerging competitively. X-ray absorption spectroscopy has a strong tradition of data sharing, as cross-referencing data enhances the detailed understanding of the obtained spectra. While physically integrating databases in various formats is impractical, a system has been successfully developed that allows cross-searching among Japanese, USA and European databases in cyberspace. This achievement is made possible through the realization of `vocabulary unification' and `knowledge unification' on a global scale, implemented in publicly accessible endpoints. This paper provides a summary of the concepts of terminology, ontology and semantics for X-ray spectroscopy behind this system, and presents a pilot case study along with future directions for data integration in synchrotron radiation science.</p>","PeriodicalId":48729,"journal":{"name":"Journal of Synchrotron Radiation","volume":"32 Pt 3","pages":"661-668"},"PeriodicalIF":2.5,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12067341/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144055896","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Machine learning for orbit steering in the presence of nonlinearities.","authors":"Simona Bettoni, Jonas Kallestrup, Güney Erin Tekin, Michael Böge, Romana Boiger","doi":"10.1107/S1600577525002334","DOIUrl":"https://doi.org/10.1107/S1600577525002334","url":null,"abstract":"<p><p>Circular particle accelerators require precise beam orbit correction to maintain the beam's trajectory close to the ideal `golden orbit', which is centered within all magnetic elements of the ring, except for slight deviations due to installed experiments. Traditionally, this correction is achieved using methodologies based on the response matrix (RM). The RM elements remain constant when the accelerator's lattice includes solely linear elements or when a linear approximation is valid for small perturbations, allowing for the calculation of corrector strengths to steer the beam. However, most circular accelerators contain nonlinear magnets, leading to variations in RM elements when the beam experiences large perturbations, rendering traditional methods less effective and necessitating multiple iterations for convergence. To address these challenges, a machine learning (ML)-based approach is explored for beam orbit correction. This approach, applied to synchrotron SLS 2.0 under construction at the Paul Scherrer Institut, is evaluated against and in combination with the standard RM-based method under various conditions. A possible limitation of ML for this application is the potential change in the dimensionality of the ML model after optimization, which could affect performance. A solution to this issue is proposed, improving the robustness and appeal of the ML-based method for efficient beam orbit steering.</p>","PeriodicalId":48729,"journal":{"name":"Journal of Synchrotron Radiation","volume":"32 Pt 3","pages":"609-621"},"PeriodicalIF":2.5,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12067324/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143988659","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Determining the optimal choice of attenuation filters and propagation distance for polychromatic phase-contrast micro-computed tomography of a multi-material electromotor using synchrotron radiation.","authors":"Matthias Diez, Simon Zabler","doi":"10.1107/S1600577525002814","DOIUrl":"https://doi.org/10.1107/S1600577525002814","url":null,"abstract":"<p><p>Optimizing phase-contrast micro-computed tomography (µCT) for a given object is not trivial if the radiation is polychromatic and the object multi-material. This study demonstrates how an optimal combination of propagation distance and mean energy (set by attenuation filters) may be derived for such an object (an electromotor scanned on beamline BM18 at ESRF in Grenoble, France). In addition to appropriate image quality metrics, it is mandatory to define a task. In that respect, raising E_mean from 100 keV to 164 keV mitigates beam hardening by metal parts, yet raising E_mean further to 230 keV deteriorates CNR² (where CNR is contrast-to-noise ratio) due to higher image noise. Propagation distances between d = 2 m and 25.3 m are evaluated crosswise with energy. While longer propagation distances generally yield higher CNR², shorter distances appear favorable when discerning plastic near metal parts. SNR² (where SNR is signal-to-noise ratio) power spectra and modulation transfer (MTF) are evaluated independently from two-dimensional projections supporting volume image analysis for which image sharpness depends strongly on the digital filters (Paganin and Wiener) which are applied along with filtered back-projection. In summary, optimizing synchrotron µCT scans remains a very complex task which differs from object to object. A physically accurate model of the complete imaging process may not only allow for optimization by simulation but also ideally improve CT image reconstruction in the near future.</p>","PeriodicalId":48729,"journal":{"name":"Journal of Synchrotron Radiation","volume":"32 Pt 3","pages":"731-742"},"PeriodicalIF":2.5,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12067323/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144035872","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"High-resolution X-ray scanning with a diffuse Huffman-patterned probe to reduce radiation damage.","authors":"Alaleh Aminzadeh, Andrew M Kingston, Lindon Roberts, David M Paganin, Timothy C Petersen, Imants D Svalbe","doi":"10.1107/S1600577525002127","DOIUrl":"https://doi.org/10.1107/S1600577525002127","url":null,"abstract":"<p><p>Scanning objects with a tightly focused beam (of photons or electrons for example) can provide high-resolution images. However, rapid deposition of energy into a small area can damage tissues in organic samples or may rearrange the chemical structure or physical properties of inorganic materials. Scanning an object with a broad, or diffuse, beam can deliver an equivalent probe energy but spread it over a much wider footprint. However, typically the imaging resolution is proportional to the probe diameter and a diffuse probe sacrifices resolution. Here we propose a method to achieve `high resolution' imaging (in the sense that resolution is smaller than the probe diameter) using a diffuse probe. We achieve this by encoding a pattern onto the probe and employing a decoding step to recover a tight delta-like impulse response. Huffman sequences, by design, have the optimal delta-like autocorrelation for aperiodic (non-cyclic) convolution and are well conditioned. Here we adapt 1D Huffman sequences to design 2D Huffman-like discrete arrays as diffuse imaging probes that have spatially broad, relatively thin, uniform intensity profiles and have excellent aperiodic autocorrelation metrics. Examples of broad shaped diffuse beams were developed for the case of X-ray imaging. A variety of masks were fabricated by the deposition of finely structured layers of tantalum on a silicon oxide wafer. The layers form a pattern of discrete pixels that modify the shape of an incident uniform beam of low-energy X-rays as it passes through the mask. The intensity profiles of the X-ray beams after transmission through these masks were validated, first by acquiring direct-detector X-ray images of the masks, and second by raster scanning a pinhole over each mask pattern, pixel-by-pixel, collecting `bucket' signals as applied in traditional ghost imaging. The masks were then used to raster scan the shaped X-ray beam over several simple binary and `gray' test objects, again producing bucket signals, from which sharp reconstructed object images were obtained by deconvolving their bucket images.</p>","PeriodicalId":48729,"journal":{"name":"Journal of Synchrotron Radiation","volume":"32 Pt 3","pages":"700-717"},"PeriodicalIF":2.5,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12067338/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144047786","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"The OÆSE endstation at BESSY II: operando X-ray absorption spectroscopy for energy materials.","authors":"Raul Garcia-Diez, Johannes Frisch, Marianne van der Merwe, Romualdus Enggar Wibowo, Mihaela Gorgoi, Elmar Kataev, Catalina E Jimenez, Mauricio D Arce, William Smith, Wilson Quevedo-Garzon, Regan G Wilks, Dirk Wallacher, Leonhard J Reinschlüssel, Gülen C Tok, Hubert A Gasteiger, Marcus Bär","doi":"10.1107/S160057752500116X","DOIUrl":"10.1107/S160057752500116X","url":null,"abstract":"<p><p>The investigation of a wide range of energy materials under relevant operation conditions, allowing for real-time investigations of the (electro)chemical mechanisms governing the performance of related applications, is enabled by the new Operando Absorption and Emission Spectroscopy at EMIL (OÆSE) endstation in the Energy Materials In-situ Laboratory Berlin (EMIL) at the BESSY II synchrotron facility in Berlin, Germany. Currently primarily used for X-ray absorption spectroscopy (XAS) studies, the OÆSE endstation utilizes the undulator-based two-colour EMIL beamline (covering an energy range between 80 and 10000 eV) to enable soft, tender, and hard XAS. In this work, the setup, along with operando sample environments tailored to address specific questions, is described, emphasizing its modularity and adaptability, and detailing specific strategies to minimize undesired radiation-induced effects caused by the high brilliance of the EMIL beamline. The in situ growth of electrodeposited copper monitored by soft and hard XAS, at the Cu L₃ edge (sXAS) and Cu K edge (hXAS), respectively, is used as a proof-of-concept experiment, showcasing the capabilities of the OÆSE endstation as a versatile tool for comprehensive in situ/operando studies of energy materials under relevant conditions.</p>","PeriodicalId":48729,"journal":{"name":"Journal of Synchrotron Radiation","volume":" ","pages":"634-648"},"PeriodicalIF":2.5,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12067322/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143732468","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Ultimate brightness of a medium-energy synchrotron light source at operational beam intensity.","authors":"Victor Smaluk, Timur Shaftan, Dean Hidas","doi":"10.1107/S1600577525002723","DOIUrl":"https://doi.org/10.1107/S1600577525002723","url":null,"abstract":"<p><p>Synchrotron light sources are key instruments of modern science, providing unique opportunities for groundbreaking studies in diverse scientific disciplines and driving innovation in numerous scientific and technological fields. Fourth-generation light sources provide unprecedented capabilities in imaging, spectroscopy and diffraction techniques. Ultimate brightness is the key to advancing to a smaller scale, faster response, and higher data measurement and processing rate. The brightness is primarily determined by the electron beam emittance and energy spread at operational intensity. A common feature of fourth-generation synchrotrons is the short length of the electron bunches combined with a very small transverse beam size. Consequently, the high particle density leads to strong collective effects that significantly increase the emittance and limit the achievable brightness at operational beam intensity. In this article, we summarize our studies of the emittance and brightness scaled with the beam energy and intensity, taking into account the effects of intrabeam scattering, beam-impedance interaction and bunch lengthening provided by higher-harmonic RF systems to identify optimal combinations of machine and beam parameters.</p>","PeriodicalId":48729,"journal":{"name":"Journal of Synchrotron Radiation","volume":"32 Pt 3","pages":"595-604"},"PeriodicalIF":2.5,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12067340/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143992495","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Macromolecular crystallography at Elettra: current and future perspectives.","authors":"Raghurama P Hegde, Nicola Demitri, Annie Héroux, Alessandro Olivo, Giorgio Bais, Michele Cianci, Paola Storici, Dan George Dumitrescu, Nishant Kumar Varshney, Balasubramanian Gopal, D D Sarma, Lisa Vaccari, Silvia Onesti, Maurizio Polentarutti","doi":"10.1107/S1600577525001055","DOIUrl":"10.1107/S1600577525001055","url":null,"abstract":"<p><p>The Elettra synchrotron radiation facility, located in Trieste, Italy, is a third-generation storage ring, operating in top-up mode at both 2.0 and 2.4 GeV. The facility currently hosts one beamline fully dedicated to macromolecular crystallography, XRD2. XRD2 is based on a superconducting wiggler, and it has been open to users since 2018. On-site and remote access for data collection, as well as monitoring tools and automatic data analysis pipelines are available to its users. In addition, since 1994 Elettra has operated a general-purpose diffraction beamline, XRD1, offering the macromolecular community a wide spectrum extending to long wavelengths for phasing and ion identification. Ancillary facilities support the beamlines, providing sample preparation and a high-throughput crystallization platform for the user community. A new CryoEM facility is being established on campus and jointly operated by the Consiglio Nazionale della Ricerche - Istituto Officina dei Materiali (CNR-IOM) and Elettra, providing further opportunities to the Elettra user community. This review outlines the current capabilities and anticipated developments for macromolecular crystallography at Elettra to accompany the upcoming upgrade to Elettra 2.0, featuring a six-bend enhanced achromat lattice. The new source is expected to deliver a high-brilliance beam, enabling the macromolecular crystallography community to better address the emerging and future scientific challenges.</p>","PeriodicalId":48729,"journal":{"name":"Journal of Synchrotron Radiation","volume":" ","pages":"757-765"},"PeriodicalIF":2.5,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12067329/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143732228","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Current and future perspectives for structural biology at the Grenoble EPN campus: a comprehensive overview.","authors":"Andrew A McCarthy, Shibom Basu, Florent Bernaudat, Matthew P Blakeley, Matthew W Bowler, Philippe Carpentier, Gregory Effantin, Sylvain Engilberge, David Flot, Frank Gabel, Lukas Gajdos, Jos J A G Kamps, Eaazhisai Kandiah, Romain Linares, Anne Martel, Igor Melnikov, Estelle Mossou, Christoph Mueller-Dieckmann, Max Nanao, Didier Nurizzo, Petra Pernot, Alexander Popov, Antoine Royant, Daniele de Sanctis, Guy Schoehn, Romain Talon, Mark D Tully, Montserrat Soler-Lopez","doi":"10.1107/S1600577525002012","DOIUrl":"https://doi.org/10.1107/S1600577525002012","url":null,"abstract":"<p><p>The European Photon and Neutron campus in Grenoble is a unique site, encompassing the European Synchrotron Radiation Facility Extremely Brilliant Source, the Institut Laue-Langevin, the European Molecular Biology Laboratory and the Institut de Biologie Structurale. Here, we present an overview of the structural biology beamlines, instruments and support facilities available on the EPN campus. These include advanced macromolecular crystallography using neutrons or X-rays, small-angle X-ray or neutron scattering, cryogenic electron microscopy, and spectroscopy. These highly complementary experimental approaches support cutting-edge research for integrated structural biology in our large user community. This article emphasizes our significant contributions to the field, outlines current advancements made and provides insights into our future prospects, offering readers a comprehensive understanding of the EPN campus's role in advancing integrated structural biology research.</p>","PeriodicalId":48729,"journal":{"name":"Journal of Synchrotron Radiation","volume":"32 Pt 3","pages":"577-594"},"PeriodicalIF":2.5,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12067332/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144051203","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"TXM-Pal: a companion software for advanced data processing in spectroscopic X-ray microscopy.","authors":"Sugeun Jo, Sangwoo Kim, Jun Lim","doi":"10.1107/S1600577525002036","DOIUrl":"10.1107/S1600577525002036","url":null,"abstract":"<p><p>Transmission X-ray microscopy (TXM) is a powerful and non-destructive tool for interpreting the chemical states of a wide range of materials. It utilizes X-ray absorption near-edge structure (XANES) for the chemically sensitive mapping of specific elements, making it particularly effective for studying heterogeneous systems. However, specialized software is required for XANES imaging analyses to precisely align and correct the image drift, ensuring accurate XANES fitting. To address this issue, we developed TXM-Pal, a Python-based software optimized for XANES imaging data analysis at the 7C-XNI beamline in Pohang Light Source II. This software includes a user-friendly graphical user interface that facilitates XANES analysis, allowing images to be processed within a few minutes. The Rust-based implementation in TXM-Pal accelerates data analysis by tens of times compared with programs of pure Python. Using TXM-Pal, we procured detailed insights into the XANES analytical workflow. To demonstrate the efficacy of the proposed software, we mapped the Ni oxidation states within lithium-ion battery cathodes and thereby revealed their heterogeneity. TXM-Pal will be continuously updated to enhance XANES imaging analysis for users at spectroscopic X-ray microscope beamlines.</p>","PeriodicalId":48729,"journal":{"name":"Journal of Synchrotron Radiation","volume":" ","pages":"815-822"},"PeriodicalIF":2.5,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12067337/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143774686","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}