Journal of Synchrotron Radiation最新文献

{"title":"Pump-probe reciprocal-space mapping using energy-resolved XFEL pink beam pulses.","authors":"Ouyoung Kwon, Sungsoo Ha, Do Young Noh, Hyonchol Kang, Mazhar Iqbal, Muhammad Ijaz Anwar, Sunam Kim","doi":"10.1107/S1600577525000463","DOIUrl":"10.1107/S1600577525000463","url":null,"abstract":"<p><p>We present a 3D reciprocal-space mapping (RSM) method using a pink self-amplified spontaneous emission (SASE) X-ray free-electron laser beam. The energy of each specific pulse in a SASE beam can be determined using the diffraction pattern of a specimen excited by pumping itself as a spectroscopic reference. A thin slab of RSM, whose thickness corresponds to the energy bandwidth of the pink beam, is successfully reconstructed using the proposed method. By rocking a sample in a few steps, we obtained a 3D RSM covering both the diffuse scattering and the Bragg rod in NiO thin films during a pump-probe X-ray diffraction measurement.</p>","PeriodicalId":48729,"journal":{"name":"Journal of Synchrotron Radiation","volume":" ","pages":"281-287"},"PeriodicalIF":2.5,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11892893/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143400516","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 MAGnetic characterization (ULMAG) at the ID12 beamline of ESRF: from element-specific properties to macroscopic functionalities.","authors":"Alex Aubert, Andrei Rogalev, Gabriel Gomez, Elvina Dilmieva, Johanna Lill, Benedikt Eggert, Konstantin Skokov, Fabrice Wilhelm, Heiko Wende, Katharina Ollefs, Oliver Gutfleisch","doi":"10.1107/S1600577524011718","DOIUrl":"10.1107/S1600577524011718","url":null,"abstract":"<p><p>We present a novel instrument designed for advanced magnetic study, installed at the ID12 beamline of the European Synchrotron Radiation Facility in Grenoble, France. This instrument offers the unique capability to simultaneously measure element-specific microscopic and macroscopic properties related to the magnetic, electronic and structural characteristics of materials. In addition to X-ray absorption, X-ray magnetic circular dichroism alongside X-ray diffraction patterns, the macroscopic magnetization, volume changes, caloric properties and electrical resistivity of magnetic materials could be measured strictly under the same experimental conditions as a function of both magnetic field (up to ±7 T) and temperature (ranging from 2.05 K to 325 K). To demonstrate the capability of this new instrument, we present two case studies highlighting its performance in investigating first-order magneto-structural phase transitions, namely in DyCo₂ and FeRh alloys.</p>","PeriodicalId":48729,"journal":{"name":"Journal of Synchrotron Radiation","volume":" ","pages":"321-330"},"PeriodicalIF":2.5,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11892911/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143123919","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 from an industrial perspective - the impact of synchrotron radiation on structure-based drug discovery.","authors":"H Käck, T Sjögren","doi":"10.1107/S1600577524012281","DOIUrl":"10.1107/S1600577524012281","url":null,"abstract":"<p><p>Structure-based drug design has been an integral part of drug discovery for over three decades, contributing to the development of numerous approved drugs. Here we discuss the evolution, as well as the current state, of structure-based drug design within the pharmaceutical industry, using data from AstraZeneca's internal repository for crystal structures to provide additional context. Over the past 20 years, the company has transitioned from a mixed in-house and synchrotron data collection model to a `synchrotron-only' approach, enabled by technological advancements at synchrotron facilities. We provide real-world examples of structure delivery to projects, including a high-throughput project and a case where a single structure was pivotal for discovering a candidate drug. We conclude that, despite recent developments in single-particle cryo-EM and deep-learning structure prediction methods, macromolecular crystallography remains a critical tool for drug discovery.</p>","PeriodicalId":48729,"journal":{"name":"Journal of Synchrotron Radiation","volume":" ","pages":"294-303"},"PeriodicalIF":2.5,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11892899/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143366318","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":"Controlling beam trajectory and transport in a tapered helical undulator.","authors":"A Fisher, J Jin, P Musumeci","doi":"10.1107/S1600577524012463","DOIUrl":"10.1107/S1600577524012463","url":null,"abstract":"<p><p>In this paper we present a detailed discussion of the helical undulator system developed for high extraction efficiency experiments in the tapered-enhanced stimulated superradiant amplification regime. The design is based on permanent magnet technology and comprises two Halbach arrays orthogonally oriented and shifted by 90° with respect to each other. When used in low energy beamlines for THz generation, the electron beam trajectory and transport are particularly sensitive to the undulator off-axis fields so that it becomes important to complement on-axis field measurements with analysis and tuning of the higher-order field components. Here we describe how the pulsed wire measurement technique can be effectively used to retrieve on- and off-axis magnetic field characteristics of the undulator. A simple two-dipole model is developed to guide the final adjustments to the permanent magnet positions along the array to tune the quadrupole and sextupole components of the field.</p>","PeriodicalId":48729,"journal":{"name":"Journal of Synchrotron Radiation","volume":" ","pages":"331-339"},"PeriodicalIF":2.5,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11892906/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143400465","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":"MYTHEN III: advancements in single photon counting detectors for synchrotron powder diffraction experiments","authors":"Marie Andrä,&nbsp;Anna Bergamaschi,&nbsp;Filippo Baruffaldi,&nbsp;Martin Brückner,&nbsp;Maria Carulla,&nbsp;Nicola Casati,&nbsp;Antonio Cervellino,&nbsp;Roberto Dinapoli,&nbsp;Erik Fröjdh,&nbsp;Dominic Greiffenberg,&nbsp;Shqipe Hasanaj,&nbsp;Julian Heymes,&nbsp;Viktoria Hinger,&nbsp;Pawel Kozlowski,&nbsp;Carlos Lopez Cuenca,&nbsp;Dominik Meister,&nbsp;Davide Mezza,&nbsp;Konstantinos Moustakas,&nbsp;Aldo Mozzanica,&nbsp;Kirsty Paton,&nbsp;Christian Ruder,&nbsp;Valerio Scagnoli,&nbsp;Grigory Smolentsev,&nbsp;Bernd Schmitt,&nbsp;Dhanya Thattil,&nbsp;Xiangyu Xie,&nbsp;Jiaguo Zhang","doi":"10.1107/S1600577525000438","DOIUrl":"10.1107/S1600577525000438","url":null,"abstract":"<p>The single photon counting microstrip detector MYTHEN III was developed at the Paul Scherrer Institute to satisfy the increasing demands in detector performance of synchrotron radiation experiments, focusing on time-resolved and on-edge powder diffraction measurements. Similar to MYTHEN II, the detector installed on the Material Science beamline covers 120° in 2θ. It is based on the MYTHEN III.0 readout chip wire-bonded to silicon strip sensors with a pitch of 50 µm, and it provides improved performance and features with respect to the previous version. Taking advantage of the three independent comparators of MYTHEN III, it is possible to obtain an improvement in the maximum count rate capability of the detector at 90% efficiency from 2.9 ± 0.8 Mphotons s⁻¹ strip⁻¹ to 11 ± 2 Mphotons s⁻¹ strip⁻¹ thanks to the detection of pile-up at high photon flux. The readout chip offers additional operation modes such as pump–probe and digital on-chip interpolation. The maximum frame rate is up to 360 kHz in 8-bit mode with dead-time-free readout. The minimum detectable energy of MYTHEN III is 4.3 ± 0.3 keV with a minimum equivalent noise charge (ENC) of 121 ± 8 electrons and a threshold dispersion below 33 ± 10 eV. The energy calibration is affected by temperature by less than 0.5% °C⁻¹. This paper presents a comprehensive overview of the MYTHEN III detector system with performance benchmarks, and highlights the improvements reached in powder diffraction experiments compared with the previous detector generation.</p>","PeriodicalId":48729,"journal":{"name":"Journal of Synchrotron Radiation","volume":"32 2","pages":"365-377"},"PeriodicalIF":2.5,"publicationDate":"2025-02-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1107/S1600577525000438","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143415925","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":"Pulse-by-pulse transient thermal deformation in crystal optics under high-repetition-rate FEL.","authors":"Lin Zhang, Jerome Hastings, Zhirong Huang, Jingyi Tang, Diling Zhu","doi":"10.1107/S160057752401155X","DOIUrl":"10.1107/S160057752401155X","url":null,"abstract":"<p><p>Time-domain modeling of the thermal deformation of crystal optics can help define acceptable operational ranges across the pulse-energy repetition-rate phase space. In this paper, we have studied the transient thermal deformation of a water-cooled diamond crystal for a cavity-based X-ray free-electron laser (CBXFEL), either an X-ray free-electron laser oscillator (XFELO) or a regenerative amplifier X-ray free-electron laser (RAFEL), by numerical simulations including finite-element analysis and advanced data processing. Pulse-by-pulse transient thermal deformation of a 50 µm-thick diamond crystal has been performed with X-ray pulse repetition rates between 50 kHz and 1 MHz. Results for temperature and thermal deformation have been compared with the results of transient analysis using a continuous wave (CW) power loading. Temperature and thermal deformation results from pulse-by-pulse transient analysis vary with time about the results for the CW case for the same average power. The variation amplitude increases with pulse energy and decreases with repetition rate. When the repetition rate increases to infinity, both temperature and thermal deformation converge to the results for the CW case. Two critical time scales for the operation of crystal optics in a CBXFEL are (1) first-turn time, i.e. the time for the XFEL pulse to complete the first turn around the cavity so that the crystal sees the recirculated XFEL pulse, and (2) period-end time, i.e. the time that the next electron bunch arrives for the amplification, so that the crystal outcouples the amplified FEL power. For the same average power, simulation results show that the crystal thermal deformation seen by the XFEL beam decreases with repetition rate at the first-turn time of a 300 m-long cavity and increases with repetition rate at the period-end time. For the wavefront preservation requirement of the crystal optics, a pulse-energy versus repetition-rate phase space has been established. The upper bounds of the pulse energy at both first-turn and period-end times decreases with repetition rate, especially at the period-end time. The upper bound of the thermal deformation of the crystal at the period-end time for any repetition frequency can be estimated from the CW case. For a water-cooled diamond crystal of dimension 5 mm × 5 mm × 0.05 mm, the time to reach a quasi steady-state is about 50 ms for temperature and 50 µs for thermal deformation.</p>","PeriodicalId":48729,"journal":{"name":"Journal of Synchrotron Radiation","volume":" ","pages":"57-71"},"PeriodicalIF":2.5,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11708848/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142865641","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":"Status of macromolecular crystallography beamlines at SSRF.","authors":"Huating Kong, Huan Zhou, Qin Xu, Ke Liu, Kunhao Zhang, Xingya Wang, Weiwei Wang, Zhijun Wang, Sisheng Wang, Yuzhu Wang, Lin Tang, Feng Yu, Jianhua He, Qisheng Wang","doi":"10.1107/S1600577524011597","DOIUrl":"10.1107/S1600577524011597","url":null,"abstract":"<p><p>Shanghai Synchrotron Radiation Facility (SSRF) is a third-generation 3.5 GeV synchrotron facility located on the Chinese mainland, operational for user applications since 2009. With the completion of its Phase II project this year, SSRF now supports over 40 experimental stations across various research fields. For the structural biology community, there are three macromolecular crystallography (MX) beamlines (BL02U1, BL17UM and BL10U2) and one endstation at the white X-ray beamline (BL03HB) managed by SSRF to meet the needs of both academic and industrial users seeking to determine macromolecular crystal structures. The MX group at SSRF is dedicated to continuously upgrading these beamlines in terms of technology and scientific capabilities. This paper reports on the current status of all the MX beamlines at SSRF and discusses emerging trends.</p>","PeriodicalId":48729,"journal":{"name":"Journal of Synchrotron Radiation","volume":" ","pages":"234-245"},"PeriodicalIF":2.5,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11708842/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142869429","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":"SiC free-standing membrane for X-ray intensity monitoring in synchrotron radiation beamlines.","authors":"Gabriele Trovato, Marzio De Napoli, Christian Gollwitzer, Simone Finizio, Michael Krumrey, Francesco La Via, Luca Lanzanò, Giuliana Milluzzo, Samuele Moscato, Matthias Müller, Francesco Romano, Dario Ferreira Sanchez, Massimo Camarda","doi":"10.1107/S1600577524010646","DOIUrl":"10.1107/S1600577524010646","url":null,"abstract":"<p><p>For many synchrotron radiation experiments, it is critical to perform continuous, real-time monitoring of the X-ray flux for normalization and stabilization purposes. Traditional transmission-mode monitors included metal mesh foils and ionization chambers, which suffered from low signal stability and size constraints. Solid-state detectors are now considered superior alternatives for many applications, offering appealing features like compactness and signal stability. However, silicon-based detectors suffer from poor radiation resistance, and diamond detectors are limited in scalability and are expensive to produce. Silicon carbide (SiC) has recently emerged as an alternative to both materials, offering a high-quality mature semiconductor with high thermal conductivity and radiation hardness. This study focuses on a systematic exploration of the SiC `free-standing membrane' devices developed by SenSiC GmbH. In particular, we performed in-depth sensor-response analysis with photon energies ranging from tender (1.75 keV) to hard (10 keV) X-rays at the Four-Crystal Monochromator beamline in the PTB laboratory at the synchrotron radiation facility BESSY II, studying uniformity of transmission and responsivity compared with the state-of-the-art beam monitors. Furthermore, we theoretically evaluated the expected signal in different regions of the sensors, also taking into account the effect of charge diffusion from the SiC substrate in the case of the not-carved region.</p>","PeriodicalId":48729,"journal":{"name":"Journal of Synchrotron Radiation","volume":" ","pages":"118-124"},"PeriodicalIF":2.5,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11708857/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142789664","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":"Hard X-ray single-shot spectrometer of PAL-XFEL.","authors":"Sangsoo Kim, Jae Hyuk Lee, Daewoong Nam, Gisu Park, Myong Jin Kim, Intae Eom, Inhyuk Nam, Chi Hyun Shim, Jangwoo Kim","doi":"10.1107/S1600577524009779","DOIUrl":"10.1107/S1600577524009779","url":null,"abstract":"<p><p>A transmissive single-shot spectrometer has been developed to monitor shot-to-shot spectral structures in the hard X-ray beamline of the Pohang Accelerator Laboratory X-ray Free Electron Laser (PAL-XFEL). The established spectrometer comprises 10 µm-thick Si crystals bent to a radius of curvature of 100 mm. Depending on the photon energy range, either the Si (111) or Si (110) crystal can be selected for spectral analysis. Especially in the energy range 4.5-17 keV, the spectrometer is designed to cover a spectral range wider than the full free-electron laser bandwidth and to guarantee a high resolution sufficient for resolving each spectral spike. This paper presents the design specifications, instruments and performance of this spectrometer, which has also been applied to demonstrate the spectral properties of various XFEL sources, such as self-amplified spontaneous emission, monochromatic and seeded beams.</p>","PeriodicalId":48729,"journal":{"name":"Journal of Synchrotron Radiation","volume":" ","pages":"246-253"},"PeriodicalIF":2.5,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11708847/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142677490","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":"Picometre-level surface control of a closed-loop, adaptive X-ray mirror with integrated real-time interferometric feedback.","authors":"Ioana Theodora Nistea, Simon G Alcock, Andrew Foster, Vivek Badami, Riccardo Signorato, Matteo Fusco","doi":"10.1107/S1600577524011007","DOIUrl":"10.1107/S1600577524011007","url":null,"abstract":"<p><p>We provide a technical description and experimental results of the practical development and offline testing of an innovative, closed-loop, adaptive mirror system capable of making rapid, precise and ultra-stable changes in the size and shape of reflected X-ray beams generated at synchrotron light and free-electron laser facilities. The optical surface of a piezoelectric bimorph deformable mirror is continuously monitored at 20 kHz by an array of interferometric sensors. This matrix of height data is autonomously converted into voltage commands that are sent at 1 Hz to the piezo actuators to modify the shape of the mirror optical surface. Hence, users can rapidly switch in closed-loop between pre-calibrated X-ray wavefronts by selecting the corresponding freeform optical profile. This closed-loop monitoring is shown to repeatably bend and stabilize the low- and mid-spatial frequency components of the mirror surface to any given profile with an error <200 pm peak-to-valley, regardless of the recent history of bending and hysteresis. Without closed-loop stabilization after bending, the mirror height profile is shown to drift by hundreds of nanometres, which will slowly distort the X-ray wavefront. The metrology frame that holds the interferometric sensors is designed to be largely insensitive to temperature changes, providing an ultra-stable reference datum to enhance repeatability. We demonstrate an unprecedented level of fast and precise optical control in the X-ray domain: the profile of a macroscopic X-ray mirror of over 0.5 m in length was freely adjusted and stabilized to atomic level height resolution. Aside from demonstrating the extreme sensitivity of the interferometer sensors, this study also highlights the voltage repeatability and stability of the programmable high-voltage power supply, the accuracy of the correction-calculation algorithms and the almost instantaneous response of the bimorph mirror to command voltage pulses. Finally, we demonstrate the robustness of the system by showing that the bimorph mirror's optical surface was not damaged by more than 1 million voltage cycles, including no occurrence of the `junction effect' or weakening of piezoelectric actuator strength. Hence, this hardware combination provides a real time, hyper-precise, temperature-insensitive, closed-loop system which could benefit many optical communities, including EUV lithography, who require sub-nanometre bending control of the mirror form.</p>","PeriodicalId":48729,"journal":{"name":"Journal of Synchrotron Radiation","volume":" ","pages":"133-144"},"PeriodicalIF":2.5,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11708852/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142848122","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}