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X-ray Free Electron Lasers (XFEL) are revolutionary photons sources, whose ultrashort, brilliant pulses are expected to allow single molecule diffraction experiments providing structural information on the atomic length scale. This ultimate…

Optics · Physics 2015-05-20 Andrea Fratalocchi , Giancarlo Ruocco

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…

Chemical Physics · Physics 2025-10-27 Tomas André , Emiliano De Santis , Nicusor Timneanu , Carl Caleman

Single particle diffraction imaging experiments at free-electron lasers (FEL) have a great potential for structure determination of reproducible biological specimens that can not be crystallized. One of the challenges in processing the data…

Biological Physics · Physics 2013-10-16 O. M. Yefanov , I. A. Vartanyants

We solve the orientation recovery of a tumbling protein in the gas phase from single-event measurements of the spatial positions of its ions after an X-ray laser induced explosion. We simulate diffracted X-ray signal and ion dynamics under…

Chemical Physics · Physics 2026-03-26 Tomas André , Alfredo Bellisario , Nicusor Timneanu , Carl Caleman

Single-particle imaging experiments of biomolecules at x-ray free-electron lasers (XFELs) require processing of hundreds of thousands (or more) of images that contain very few x-rays. Each low-flux image of the diffraction pattern is…

Instrumentation and Detectors · Physics 2012-03-16 Hugh T. Philipp , Kartik Ayyer , Mark W. Tate , Veit Elser , Sol M. Gruner

The ingenious idea of single molecule imaging by hard x-ray Free Electron Laser (X-FEL) pulses was recently proposed by Neutze et al. [Nature,406,752(2000)]. However, in their numerical modelling of the Coulomb explosion several…

Condensed Matter · Physics 2009-11-10 Zoltan Jurek , Gabor Oszlanyi , Gyula Faigel

The short and intense pulses of the new X-ray free electron lasers, now operational or under construction, may make possible diffraction experiments on single molecule-sized objects with high resolution, before radiation damage destroys the…

Data Analysis, Statistics and Probability · Physics 2012-04-11 Miklós Tegze , Gábor Bortel

We report the first experimental observation of non-adiabatic field-free orientation of a heteronuclear diatomic molecule (CO) induced by an intense two-color (800 and 400 nm) femtosecond laser field. We monitor orientation by measuring…

The development of X-ray Free Electron Lasers (XFELs) has opened numerous opportunities to probe atomic structure and ultrafast dynamics of various materials. Single Particle Imaging (SPI) with XFELs enables the investigation of biological…

Computer Vision and Pattern Recognition · Computer Science 2023-11-29 Zhantao Chen , Cong Wang , Mingye Gao , Chun Hong Yoon , Jana B. Thayer , Joshua J. Turner

The short pulses of X-ray free electron lasers can produce diffraction patterns with structural information before radiation damage destroys the particle. The particles are injected into the beam in random orientations and they should be…

Data Analysis, Statistics and Probability · Physics 2013-07-31 Miklós Tegze , Gábor Bortel

The requirement of high space-time resolution and brightness is a great challenge for imaging atomic motion and making molecular movies. Important breakthroughs in ultrabright tabletop laser, x-ray and electron sources have enabled the…

Atomic Physics · Physics 2022-02-10 Ming Zhang , Zhenning Guo , Xiaoyu Mi , Zheng Li , Yunquan Liu

Single particle imaging (SPI) at X-ray free electron lasers (XFELs) is a technique to determine the 3D structure of nanoscale objects like biomolecules from a large number of diffraction patterns of copies of these objects in random…

Image and Video Processing · Electrical Eng. & Systems 2022-10-20 Abhishek Mall , Kartik Ayyer

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…

Computer Vision and Pattern Recognition · Computer Science 2019-02-20 Jing Liu , Gijs van der Schot , Stefan Engblom

The routine atomic-resolution structure determination of single particles is expected to have profound implications for probing the structure-function relationship in systems ranging from energy materials to biological molecules.…

Super-resolution imaging based on single molecule localization allows accessing nanometric-scale information in biological samples with high precision. However, complete measurements including molecule orientation are still challenging.…

Schemes for X-ray imaging single protein molecules using new x-ray sources, like x-ray free electron lasers (XFELs), require processing many frames of data that are obtained by taking temporally short snapshots of identical molecules, each…

Data Analysis, Statistics and Probability · Physics 2015-06-17 Kartik Ayyer , Hugh T. Philipp , Mark W. Tate , Veit Elser , Sol M. Gruner

X-ray as well as electron diffraction are powerful tools for structure determination of molecules. Studies on randomly oriented molecules in the gas-phase address cases in which molecular crystals cannot be generated or the interaction-free…

Proposals to determine biomolecular structures from diffraction experiments using femtosecond X-ray free-electron laser (XFEL) pulses involve a conflict between the incident brightness required to achieve diffraction-limited atomic…

Optics · Physics 2015-05-19 Harry M. Quiney , Keith A. Nugent

We study single-photon ionization of aligned H$_2^+$ in low-intensity near-circular laser fields with lower photon energy numerically and analytically. The photoelectron momentum distribution (PMD) within the laser polarization plane,…

Atomic Physics · Physics 2025-05-13 Z. Y. Chen , S. Q. Shen , M. Q. Liu , J. Y. Che , Y. J. Chen

Various techniques have been developed to measure the 2D and 3D positions and 2D and 3D orientations of fluorescent molecules with improved precision over standard epifluorescence microscopes. Due to the challenging signal-to-background…

Optics · Physics 2021-02-02 Oumeng Zhang , Matthew D. Lew
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