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Increasing X-ray energy improves data quality in serial crystallography. 增加x射线能量可以提高序列晶体学的数据质量。
IF 3 3区 物理与天体物理 Pub Date : 2026-03-01 Epub Date: 2026-01-21 DOI: 10.1107/S1600577525011063
Do Heon Gu, Danny Axford, James Beilsten-Edmands, Sofia Jaho, Robin L Owen

Serial synchrotron crystallography (SSX) enables structure determination from microcrystals under near-physiological, room-temperature conditions but is limited in part due to the inevitable onset of radiation damage. The ability to reduce the absorbed dose while retaining, or even improving, data quality is an attractive means of mitigating this limitation. Advances in detector technology have made the use of high-energy X-rays a routine approach in MX, improving diffraction efficiency and enhancing overall data quality. Here, we systematically evaluate low-dose SSX data collected at five different X-ray energies from 12.4 to 25 keV using a CdTe Eiger2 detector while maintaining a constant dose. Higher photon energies increased the mean diffracted intensity and signal-to-noise ratio per unit dose, and facilitated higher-resolution structure determination, even with limited crystal numbers. These findings highlight the advantages of high-energy X-rays and provide practical guidance for optimizing SSX experiments in probing protein dynamics.

串行同步加速器晶体学(SSX)能够在接近生理的室温条件下从微晶体中确定结构,但由于不可避免的辐射损伤,部分受到限制。减少吸收剂量同时保持甚至提高数据质量的能力是减轻这一限制的一种有吸引力的手段。探测器技术的进步使高能x射线成为MX的常规方法,提高了衍射效率,提高了整体数据质量。在这里,我们系统地评估了在保持恒定剂量的情况下,使用CdTe Eiger2探测器在12.4至25 keV的五种不同x射线能量下收集的低剂量SSX数据。较高的光子能量增加了平均衍射强度和单位剂量的信噪比,即使晶体数量有限,也有助于更高分辨率的结构测定。这些发现突出了高能x射线的优势,并为优化SSX实验探测蛋白质动力学提供了实践指导。
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引用次数: 0
A dedicated beamline for wide-energy-range X-ray spectroscopy at SSRF: combining soft and hard X-ray capabilities. SSRF的宽能量范围x射线光谱专用光束线:结合软x射线和硬x射线能力。
IF 3 3区 物理与天体物理 Pub Date : 2026-03-01 Epub Date: 2026-01-30 DOI: 10.1107/S1600577525011506
Zhaofeng Liang, Jinyang Xu, Lei Xie, Jingyuan Ma, Bingbao Mei, Liangxin Wang, Nan Wang, Zhenhua Chen, Ying Zou, Fei Song

The advancement of renewable energy critically depends on the rational design of catalysts, which necessitates a thorough understanding of the underlying materials. At Shanghai Synchrotron Radiation Facility (SSRF), the Energy Material beamline (E-line) has been established with three independent endstations - soft X-ray, hard X-ray and a combined soft/hard station - dedicated to fundamental studies of photovoltaic and catalytic processes, energy conversion mechanisms and related phenomena. Covering a broad photon energy range from 130 eV to 10000 eV, the combined endstation is specifically designed for in situ photoemission spectroscopy, enabling layer-by-layer analysis of materials and devices. Through techniques such as wide-range hard X-ray photoemission spectroscopy (HAXPES) and X-ray absorption spectroscopy (XAS), this endstation provides comprehensive insights into the chemical and electronic properties of catalysts. This report outlines the layout of the combined soft/hard beamline and the endstation, and evaluates its performance in terms of photon flux, energy resolution and representative applications in model catalysis. In particular, the use of in situ X-ray photoemission spectroscopy/HAXPES is expected to significantly advance the fundamental understanding of functional materials, thereby accelerating the development of efficient, reliable and affordable renewable energy solutions.

可再生能源的发展关键取决于催化剂的合理设计,这就需要对潜在材料有透彻的了解。在上海同步辐射设施(SSRF),能量材料束线(E-line)已经建立了三个独立的终端站-软x射线,硬x射线和软硬结合站-致力于光伏和催化过程,能量转换机制和相关现象的基础研究。覆盖从130 eV到10000 eV的宽光子能量范围,组合终端是专门为原位光电发射光谱设计的,可以对材料和器件进行逐层分析。通过广泛的硬x射线光电发射光谱(HAXPES)和x射线吸收光谱(XAS)等技术,该终端站可以全面了解催化剂的化学和电子性质。本文概述了软/硬组合光束线和终端的布局,并从光子通量、能量分辨率和在模型催化中的代表性应用等方面对其性能进行了评价。特别是,原位x射线光电发射光谱(HAXPES)的使用有望显著推进对功能材料的基本理解,从而加速开发高效、可靠和负担得起的可再生能源解决方案。
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引用次数: 0
X-ray waveguide optics at GINIX/P10 PETRA III: recent progress and future directions. GINIX/P10 PETRA III的x射线波导光学:最新进展和未来方向。
IF 3 3区 物理与天体物理 Pub Date : 2026-03-01 Epub Date: 2026-02-10 DOI: 10.1107/S1600577525011567
Tim Salditt, Paul Meyer, Leon Merten Lohse, Jens Lucht, Jakob Soltau, Neele Kozák, Mike Kanbach, Markus Osterhoff, Fabian Westermeier

Here we report on recent progress in X-ray waveguide optics for full-field coherent imaging at the Göttingen Instrument for Nano-Imaging with X-rays (GINIX), installed at the P10 coherence beamline of the PETRA III storage ring at DESY, Hamburg. We describe fabrication methods including new materials and the corresponding characterization in terms of transmission, exit intensity distribution, far-field intensity distribution and coherence properties. In addition to single channels, which are currently used for holographic imaging, we include results on tapered waveguides and off-axis waveguide interferometers. We also address optimization of waveguide optics with respect to the novel super-resolution holography method presented by Soltau et al. [Optica (2021), 8, 818-823]. Finally, we discuss the further development of high-resolution nano-holography in view of the planned storage ring upgrade to PETRA IV.

在这里,我们报告了安装在汉堡DESY PETRA III存储环的P10相干束线上的Göttingen x射线纳米成像仪器(GINIX)上用于全场相干成像的x射线波导光学的最新进展。我们从传输、出口强度分布、远场强度分布和相干特性方面描述了包括新材料在内的制造方法和相应的表征。除了目前用于全息成像的单通道外,我们还包括锥形波导和离轴波导干涉仪的结果。我们还针对Soltau等人提出的新型超分辨率全息方法对波导光学进行了优化[Optica(2021), 8,818 -823]。最后,针对计划中的存储环升级到PETRA IV,讨论了高分辨率纳米全息技术的进一步发展。
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引用次数: 0
Machine learning assisted masking of parasitic signals in Bragg coherent diffraction imaging. Bragg相干衍射成像中寄生信号的机器学习辅助掩蔽。
IF 3 3区 物理与天体物理 Pub Date : 2026-03-01 Epub Date: 2026-01-30 DOI: 10.1107/S160057752501152X
Ewen Bellec, Steven J Leake, Mor Levi, Eugen Rabkin, Tobias U Schülli, Marie Ingrid Richard

Bragg coherent diffraction imaging (BCDI) is a lens-less technique capable of imaging the strain in a particle in the size range from 20 nm up to several micrometres. This indirect measurement technique, used in X-ray synchrotrons or free-electron lasers all over the world, requires an inversion step using iterative algorithms in order to recover the real-space complex object encoding the particle shape and deformation field. However, artefacts such as scattering peaks called `aliens' from nearby particles can affect the accuracy of the final reconstruction and require meticulous and time-consuming manual masking of the raw data. This becomes problematic for BCDI reconstructions during an experiment and/or for large volumes of data. Here, we explore the potential of machine learning, and specifically clustering techniques, to speed up this procedure while keeping the maximum spatial resolution of the object reconstruction. We also provide a user-friendly Python Jupyter notebook program available on Github.

Bragg相干衍射成像(BCDI)是一种无透镜成像技术,能够成像从20纳米到几微米大小的颗粒中的应变。这种间接测量技术广泛应用于x射线同步加速器或自由电子激光器中,需要使用迭代算法进行反演,以恢复编码粒子形状和变形场的实空间复杂物体。然而,来自附近粒子的散射峰(称为“外星人”)等人工制品可能会影响最终重建的准确性,并且需要对原始数据进行细致而耗时的手动屏蔽。这对于实验期间的BCDI重建和/或大量数据来说是有问题的。在这里,我们探索机器学习的潜力,特别是聚类技术,以加速这一过程,同时保持物体重建的最大空间分辨率。我们还在Github上提供了一个用户友好的Python Jupyter笔记本程序。
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引用次数: 0
Coherence evaluation and first demonstration of multi-contrast X-ray computed tomography on NanoTerasu BL09W with an X-ray Talbot interferometer. 用x射线塔尔博特干涉仪在NanoTerasu BL09W上进行相干性评价和多对比x射线计算机断层扫描的首次演示。
IF 3 3区 物理与天体物理 Pub Date : 2026-03-01 Epub Date: 2026-02-18 DOI: 10.1107/S1600577526000512
Ryosuke Ueda, Xiaoyu Liang, Chika Kamezawa, Hiroki Sumiishi, Yui Bishago, Takeyasu Nishio, Junya Yoshida, Masaharu Daimon, Shozo Hiramoto, Wolfgang Voegeli, Tetsuroh Shirasawa, Patrik Vagovič, Hiroyuki Yamane, Tetsuya Nakamura, Wataru Yashiro

We report on the coherence evaluation of the beamline BL09W at NanoTerasu (Tohoku University, Japan) and demonstrate X-ray multi-contrast imaging using an X-ray Talbot interferometer. Fringe visibility was measured in both the horizontal and vertical directions and analyzed to estimate the effective source size of the X-ray beam. The estimated source size in the horizontal direction was consistent with the design specification, confirming the validity of the measurements. In the vertical direction, the high visibility, exceeding 70%, indicates the remarkably high spatial coherence of the source. Multi-contrast computed tomography was successfully performed, simultaneously reconstructing absorption, phase and small-angle scattering contrasts. These results establish BL09W as a versatile beamline for coherence-based X-ray imaging.

我们报道了NanoTerasu(日本东北大学)的光束线BL09W的相干性评估,并演示了使用x射线塔尔博特干涉仪的x射线多对比度成像。在水平方向和垂直方向测量条纹可见度,并对其进行分析,以估计x射线光束的有效源尺寸。估计的水平方向源尺寸与设计规范一致,证实了测量的有效性。在垂直方向上,高能见度超过70%,表明源的空间相干性非常高。成功地进行了多重对比计算机断层扫描,同时重建了吸收、相位和小角度散射对比。这些结果确立了BL09W作为基于相干的x射线成像的通用光束线。
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引用次数: 0
Simultaneous lasing of Ni Kα and Cu Kα lasers from an alloy foil irradiated with an intense X-ray free-electron laser pulse. 用强x射线自由电子激光脉冲辐照合金箔,同时发射Ni Kα和Cu Kα激光。
IF 3 3区 物理与天体物理 Pub Date : 2026-03-01 Epub Date: 2026-01-20 DOI: 10.1107/S1600577525010914
Yuichi Inubushi, Gota Yamaguchi, Jumpei Yamada, Yuya Kubota, Ichiro Inoue, Taito Osaka, Makina Yabashi

We report the simultaneous lasing of two distinct Kα emissions at photon energies of 7.48 keV (Ni Kα1) and 8.05 keV (Cu Kα1). This was achieved by a population inversion induced through intense X-ray free-electron laser (XFEL) irradiation of a Cu-Ni alloy foil. This demonstration of multi-color X-ray lasing using a single XFEL source is expected to contribute significantly to the future development of X-ray lasers and their applications.

我们报道了在光子能量为7.48 keV (Ni Kα1)和8.05 keV (Cu Kα1)的情况下同时发射两个不同的Kα。这是通过强x射线自由电子激光(XFEL)照射Cu-Ni合金箔诱导的种群反转实现的。这次使用单个XFEL源的多色x射线激光演示预计将对x射线激光器及其应用的未来发展做出重大贡献。
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引用次数: 0
Proposal of a novel APPLE-KNOT undulator by selecting the KNOT field as the dominant magnetic field. 提出了一种选择结磁场为主磁场的新型苹果结波动器。
IF 3 3区 物理与天体物理 Pub Date : 2026-03-01 Epub Date: 2026-01-30 DOI: 10.1107/S1600577526000159
Binghao Zhang, Chao Chen, Yuanfang Xu, Zhouyu Zhao, Heting Li

The APPLE-KNOT undulator forms composite magnetic fields by superimposing an APPLE field and a KNOT field with different period lengths, in which one serves as the dominant field to approach the target photon energy and the other acts as an additional component to transversely deflect the electron beam away from the axis. Variable polarization modes can be realized with a low on-axis heat load in the APPLE-KNOT undulator. In previous studies, APPLE arrays with shorter period length have a stronger field strength than KNOT arrays with longer period length. However, a sharp reduction in flux and an obvious degeneration in polarization degree of circular polarization mode can be observed. In this paper, such a phenomenon is theoretically studied and explained in detail. A novel undulator in which the KNOT array configuration, conventionally used for the weak field, is instead utilized to generate a strong field. Different from the traditional APPLE-KNOT undulator, the KNOT and APPLE magnet blocks are correspondingly merged to form two new blocks with significantly different specifications. The simulation results indicate that both the flux and polarization degree of circular polarization mode can be effectively improved, which are highly consistent with the theoretical prediction. The merged magnet arrays keep a symmetric structure within the single undulator period that always ensure an inherently good performance on the field integral.

APPLE-KNOT波动器通过叠加不同周期长度的APPLE场和KNOT场形成复合磁场,其中一个作为主导场接近目标光子能量,另一个作为附加分量使电子束横向偏转远离轴。可变偏振模式可以在低轴向热负荷下在苹果结波动器中实现。在以往的研究中,周期较短的APPLE阵列比周期较长的KNOT阵列具有更强的场强。然而,可以观察到圆偏振模式的通量急剧减少和偏振度明显退化。本文对这一现象进行了理论研究和详细解释。一种新型的波动器,其中传统上用于弱场的KNOT阵列配置被用来产生强场。与传统的APPLE-KNOT波动器不同,KNOT和APPLE磁铁块相应合并,形成两个规格明显不同的新块。仿真结果表明,圆极化模式的通量和极化度都能得到有效提高,与理论预测高度一致。合并的磁体阵列在单一波动周期内保持对称结构,从而始终确保在场积分上具有良好的固有性能。
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引用次数: 0
The design of a low-cost 3D printed flow cell for synchrotron computed microtomography. 用于同步加速器计算机微断层扫描的低成本3D打印流池的设计。
IF 3 3区 物理与天体物理 Pub Date : 2026-03-01 Epub Date: 2026-02-09 DOI: 10.1107/S1600577526000123
Liam Perera, Peter Garland, Caroline Kirk, Alberto Leonardi, Jason B Love, Tristan Manchester, Carole A Morrison, Rebecca Rae, Susanna S M Vance, Sharif I Ahmed

This work presents the design and development of a 3D printed flow cell tailored for X-ray computed microtomography of liquid-solid systems. The flow cell is manufactured using stereolithographic printing and utilizes a novel pillarless pull-through geometry. The use of the flow cell developed for K-11 DIAD (Dual Imaging and Diffraction beamline, Diamond Light Source, UK) is demonstrated with the in situ flow and selective recovery of an Sn precipitate from solution using an organic ligand. The 3D designs and components are made freely available with this publication.

这项工作提出了专为液体-固体系统的x射线计算机微断层扫描量身定制的3D打印流池的设计和开发。流动池是用立体平版印刷制造的,并采用了一种新颖的无柱拉过几何形状。为K-11 DIAD(双成像和衍射光束线,钻石光源,英国)开发的流动池的使用演示了使用有机配体从溶液中原位流动和选择性回收锡沉淀。3D设计和组件在本出版物中免费提供。
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引用次数: 0
Experience with the Jungfrau-1M detector at Diamond Light Source. 金刚石光源的少女峰- 1m探测器经验。
IF 3 3区 物理与天体物理 Pub Date : 2026-03-01 Epub Date: 2026-02-17 DOI: 10.1107/S1600577526000342
John Matheson, Danny Axford, Anna Bergamaschi, Maria Carulla, Nicholas Devenish, Noemi Frisina, Viktoria Hinger, Vadym Kedych, Christopher Lane, Aldo Mozzanica, Eva Gimenez-Navarro, James O'Hea, Dominic Oram, Robin L Owen, David Perl, Adam Prescott, Bernd Schmitt, Shane Scully, Adam Taylor, Gary Yendell, Graeme Winter

A Jungfrau-1M detector has undergone testing at Diamond Light Source. The Jungfrau series of detectors from PSI use integration and adaptive gain, to offer very high frame rate and dynamic range, suitable for high-flux and time-resolved measurements. They are becoming more widely used, to take advantage of increasing light source brightness. We report on our experiences in testing the performance of a Jungfrau-1M without illumination, with a laboratory X-ray tube and on a microfocus beamline. The Jungfrau-1M was found to be able to resolve single photons in the laboratory and on the beamline. It was confirmed that range switching from high to intermediate gain is associated with a discontinuity in the detector response. Two methods of dark frame subtraction were compared for their effect on minimizing this discontinuity. The Jungfrau-1M was found to be very effective for recording macromolecular crystallography diffraction patterns, with no apparent detriment from the discontinuity. The Diamond machine will be upgraded in 2028-9 and will operate at significantly higher flux than at present, necessitating increased use of integrating detectors, such as Jungfrau, in the future.

少女峰- 1m探测器在钻石光源进行了测试。PSI的Jungfrau系列探测器使用集成和自适应增益,提供非常高的帧速率和动态范围,适用于高通量和时间分辨率的测量。它们正被越来越广泛地使用,以利用不断增加的光源亮度。我们报告了在没有照明的情况下,用实验室x射线管和微聚焦光束线测试少女峰- 1m性能的经验。人们发现少女峰- 1m能够在实验室和光束线上分辨单光子。结果表明,从高增益到中增益的范围切换与探测器响应的不连续有关。比较了两种暗帧减法对减小这种不连续性的效果。少女峰- 1m被发现是非常有效的记录大分子晶体衍射图案,没有明显的损害从不连续。Diamond机器将在2028- 209年进行升级,其运行通量将比目前高得多,因此未来需要更多地使用集成探测器,如少女峰探测器。
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引用次数: 0
Non-uniform interval-pulse X-ray photon correlation spectroscopy for reduced exposure. 减少曝光的非均匀间隔脉冲x射线光子相关光谱学。
IF 3 3区 物理与天体物理 Pub Date : 2026-03-01 Epub Date: 2026-02-18 DOI: 10.1107/S160057752600038X
Taiki Hoshino, Jingmin Tang

X-ray photon correlation spectroscopy (XPCS) is a powerful technique for evaluating microscopic dynamics using coherent X-rays. Detecting fast or small-scale dynamics typically requires strong illumination and wide-angle scattering detection; however, such conditions can cause non-negligible sample damage. This study presents a non-uniform pulse-interval XPCS approach that enables quantitative dynamical analysis with substantially reduced X-ray exposure. In conventional XPCS, continuous acquisition at uniform time intervals leads to long cumulative exposure, which can introduce radiation-induced artefacts. In this study, only 11 scattering images were recorded at non-uniform intervals, providing a broad range of delay times from a single measurement and enabling dense temporal sampling without increasing the exposure dose. The resulting dataset was analyzed using both XPCS- and X-ray speckle visibility spectroscopy (XSVS)-based schemes, and the results demonstrated that these two independent analyses yield consistent relaxation behaviors. The proposed approach offers an efficient framework for probing complex or non-Brownian dynamics in radiation-sensitive materials and expands the applicability of XPCS to soft and biological systems.

x射线光子相关光谱(XPCS)是利用相干x射线评价微观动力学的一种强有力的技术。检测快速或小尺度动态通常需要强照明和广角散射检测;然而,这样的条件会导致不可忽略的样品损坏。本研究提出了一种非均匀脉冲间隔XPCS方法,可以在大大减少x射线暴露的情况下进行定量动力学分析。在传统的XPCS中,以均匀的时间间隔连续采集会导致长时间的累积暴露,这可能会引入辐射诱发的伪影。在本研究中,仅以非均匀间隔记录了11张散射图像,提供了单次测量的大范围延迟时间,并且可以在不增加暴露剂量的情况下进行密集的时间采样。利用基于XPCS和x射线散斑可见光谱(XSVS)的方案对所得数据集进行了分析,结果表明,这两种独立的分析得出了一致的弛豫行为。提出的方法为探测辐射敏感材料中的复杂或非布朗动力学提供了一个有效的框架,并将XPCS扩展到软系统和生物系统。
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引用次数: 0
期刊
Journal of Synchrotron Radiation
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