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When a sample's X-ray diffraction pattern (XRD) is measured, the corresponding crystal structure is usually determined by searching for similar XRD patterns in the database. However, if a similar XRD pattern is not found, it is tremendously…

材料科学 · 物理学 2023-08-08 Joohwi Lee , Junpei Oba , Nobuko Ohba , Seiji Kajita

We demonstrate that powder diffraction data can be collected from sub-micron crystals of a mbrane protein with nearly two orders of magnitude more atoms than the molecules commonly used for powder diffraction. The crystals of photosystem-1…

We describe a new generation of algorithms capable of mapping the structure and conformations of macromolecules and their complexes from large ensembles of heterogeneous snapshots, and demonstrate the feasibility of determining both…

生物物理 · 物理学 2014-04-30 P. Schwander , R. Fung , A. Ourmazd

Intravital microscopy is an essential tool that reveals behaviours of live cells under conditions close to natural physiological states. So far, although various approaches for imaging cells in vivo have been proposed, most require the use…

生物物理 · 物理学 2016-07-04 Kyoohyun Kim , Kibaek Choe , Inwon Park , Pilhan Kim , YongKeun Park

A growing number of shock compression experiments, especially those involving laser compression, are taking advantage of in situ x-ray diffraction as a tool to interrogate structure and microstructure evolution. Although these experiments…

Determining crystal structures from X-ray diffraction data is fundamental across diverse scientific fields, yet remains a significant challenge when data is limited to low resolution. While recent deep learning models have made…

材料科学 · 物理学 2025-10-22 Jiale Zhao , Cong Liu , Yuxuan Zhang , Chengyue Gong , Zhenyi Zhang , Shifeng Jin , Zhenyu Liu

Two-color X-ray imaging with Free Electron Laser pulses offers a powerful approach for probing ultrafast structural dynamics in nanoscale systems, combining (near-)atomic spatial resolution with femtosecond temporal precision. The first…

Diffraction imaging of non-equilibrium dynamics at atomic resolution is becoming possible with X-ray free-electron lasers. However, there are unresolved problems with applying this method to objects that are confined in only one dimension.…

强关联电子 · 物理学 2018-02-19 Kenneth R. Beyerlein

Speden is a computer program that reconstructs the electron density of single particles from their x-ray diffraction patterns, using a single-particle adaptation of the Holographic Method in crystallography. (Szoke, A., Szoke, H., and…

Viruses are submicroscopic agents that can infect all kinds of lifeforms and use their hosts' living cells to replicate themselves. Despite having some of the simplest genetic structures among all living beings, viruses are highly…

计算机视觉与模式识别 · 计算机科学 2024-05-27 Niloy Sikder , Md. Al-Masrur Khan , Anupam Kumar Bairagi , Mehedi Masud , Jun Jiat Tiang , Abdullah-Al Nahid

We demonstrate the use of holographic video microscopy to detect individual subvisible particles dispersed in biopharmaceutical formulations and to differentiate them based on material characteristics measured from their holograms. The…

Single Particle Imaging techniques at X-ray lasers have made significant strides, yet the challenge of determining the orientation of freely rotating molecules during delivery remains. In this study, we propose a novel method to partially…

化学物理 · 物理学 2025-10-27 Tomas André , Emiliano De Santis , Nicusor Timneanu , Carl Caleman

Progress in high-resolution x-ray microtomography has provided us with a practical approach to determining three-dimensional (3D) structures of opaque samples at micrometer to submicrometer resolution. In this review, we give an…

生物物理 · 物理学 2016-09-09 Ryuta Mizutani , Yoshio Suzuki

X-ray interaction with matter is an energy-dependent process that is contingent on the atomic structure of the constituent material elements. The most advanced models to capture this relationship currently rely on Monte Carlo (MC)…

机器学习 · 计算机科学 2023-07-11 Raziye Kubra Kumrular , Thomas Blumensath

The use of coherent x-ray beams has been greatly developing for the past decades. They are now used by a wide scientific community to study biological materials, phase transitions in crystalline materials, soft matter, magnetism, strained…

材料科学 · 物理学 2010-09-01 V. L. R. Jacques , S. Ravy , D. Le Bolloc'h , E. Pinsolle , M. Sauvage-Simkin , F. Livet

Resolving the structural variability of proteins is often key to understanding the structure-function relationship of those macromolecular machines. Single particle analysis using Cryogenic electron microscopy (CryoEM), combined with…

定量方法 · 定量生物学 2022-11-22 Muyuan Chen , Bogdan Toader , Roy Lederman

We have imaged a freestanding graphene sheet of 210 nm in diameter with 2 Angstrom resolution by combining coherent diffraction and holography with low-energy electrons. The entire sheet is reconstructed from just a single diffraction…

材料科学 · 物理学 2015-06-15 Jean-Nicolas Longchamp , Tatiana Latychevskaia , Conrad Escher , Hans-Werner Fink

Current Flash X-ray single-particle diffraction Imaging (FXI) experiments, which operate on modern X-ray Free Electron Lasers (XFELs), can record millions of interpretable diffraction patterns from individual biomolecules per day. Due to…

计算机视觉与模式识别 · 计算机科学 2019-02-20 Jing Liu , Gijs van der Schot , Stefan Engblom

Experimentally obtained X-ray diffraction (XRD) patterns can be difficult to solve, precluding the full characterization of materials, pharmaceuticals, and geological compounds. Herein, we propose a method based upon a multi-objective…

材料科学 · 物理学 2024-07-09 Stefano Racioppi , Alberto Otero De la Roza , Samad Hajinazar , Eva Zurek

The in situ synchrotron high-energy X-ray powder diffraction (XRD) technique is highly utilized by researchers to analyze the crystallographic structures of materials in functional devices (e.g., battery materials) or in complex sample…

图像与视频处理 · 电气工程与系统科学 2022-12-16 Howard Yanxon , James Weng , Hannah Parraga , Wenqian Xu , Uta Ruett , Nicholas Schwarz