Review
Chemistry, Multidisciplinary
Felix Lehmkuehler, Wojciech Roseker, Gerhard Grubel
Summary: X-ray photon correlation spectroscopy (XPCS) is a technique that enables the study of sample dynamics between micrometer and atomic length scales, benefiting from the increased brilliance of next-generation synchrotron radiation and Free-Electron Laser (FEL) sources. The time scales accessible by XPCS scale with the square of the coherent flux, allowing for studies over more than 18 orders of magnitude in time.
APPLIED SCIENCES-BASEL
(2021)
Article
Multidisciplinary Sciences
Zixi Hu, Jeffrey J. Donatelli, James A. Sethian
Summary: The coefficients for translational and rotational diffusion characterize Brownian motion of particles. The paper proposes a new approach for predicting rotational diffusion coefficient using angular-temporal cross-correlation analysis of XPCS data, which has been verified across a range of simulated data. This method is applicable beyond the specific wavelengths used in the experiments.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2021)
Article
Chemistry, Multidisciplinary
Ferdinand Otto, Xing Sun, Florian Schulz, Carlos Sanchez-Cano, Neus Feliu, Fabian Westermeier, Wolfgang J. Parak
Summary: X-ray photon correlation spectroscopy is used to determine the hydrodynamic diameters of gold nanoparticles in biological environments, providing an in situ method that overcomes the limitations of traditional visible light detection techniques.
Article
Biochemistry & Molecular Biology
Shoko Fujimura, Kazuhiro Mio, Tatsunari Ohkubo, Tatsuya Arai, Masahiro Kuramochi, Hiroshi Sekiguchi, Yuji C. Sasaki
Summary: Membrane proteins respond to stimuli by changing their conformations and transmitting signals inside cells. Current methods for protein structure determination lack real-time monitoring of protein dynamics. The diffracted X-ray tracking method (DXT) is an X-ray-based technique that can monitor the internal motion of biomolecules in solution. Due to its superior spatiotemporal resolution, DXT has been applied to various membrane proteins.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Polymer Science
Chao-Hung Cheng, Kazutaka Kamitani, Shiori Masuda, Kiyu Uno, Nattanee Dechnarong, Taiki Hoshino, Ken Kojio, Atsushi Takahara
Summary: X-ray photon correlation spectroscopy (XPCS) was used to analyze the dynamics of a polymer nanocomposite, confirming the temperature-dependent effect on SiNP core motion and the anisotropic dynamics of SiNPs during uniaxial elongation and stress relaxation.
Article
Biochemistry & Molecular Biology
Tsutomu Yamane, Takahiro Nakayama, Toru Ekimoto, Masao Inoue, Keigo Ikezaki, Hiroshi Sekiguchi, Masahiro Kuramochi, Yasuo Terao, Ken Judai, Minoru Saito, Mitsunori Ikeguchi, Yuji C. Sasaki
Summary: This study aimed to investigate the differences in molecular motility between neuronal and ubiquitous tubulin dimers. DXT analysis and molecular dynamics simulation revealed that the neuronal tubulin dimer exhibited lower molecular motility around the vertical axis compared to the ubiquitous tubulin dimer.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Chemistry, Physical
Jianheng Li, Meera Madhavi, Spencer Jeppson, Louie Zhong, Eric M. Dufresne, Bruce Aitken, Sabyasachi Sen, Roopali Kukreja
Summary: This study directly investigates the structural relaxation processes in a molecular chalcogenide glass sample using X-ray photon correlation spectroscopy (XPCS). Two different dynamical regimes were observed: slow dynamics dominated by X-ray-photon-induced effects at low temperatures, and dynamics primarily attributed to the intermolecular correlation of molecules at high temperatures. The length scales of the relaxation process in the glass were found to extend beyond the individual molecule, providing valuable insights into the dynamics of glassy materials.
JOURNAL OF PHYSICAL CHEMISTRY B
(2022)
Article
Chemistry, Physical
Tomasz Fok, Przemyslaw Wachulak, Lukasz Wegrzynski, Andrzej Bartnik, Michal Nowak, Piotr Nyga, Jerzy Kostecki, Barbara Nasilowska, Wojciech Skrzeczanowski, Rafal Pietruszka, Karol Janulewicz, Henryk Fiedorowicz
Summary: Near 1-keV photons from Xe/He plasma were used to study L absorption edges of period 4 transitional metals with atomic number Z from 26 to 30, using a dual-channel, compact NEXAFS system. L1-3 absorption edges of the samples were identified in transmission mode with broadband emission from the Xe/He plasma, demonstrating the suitability of this source and measurement system for NEXAFS studies of transition metals, including magnetic materials.
Article
Chemistry, Multidisciplinary
Guillaume Vidon, Pia Dally, Mirella Al-Katrib, Daniel Ory, Minjin Kim, Etienne Soret, Eva Rangayen, Marie Legrand, Alexandre Blaizot, Philip Schulz, Jean-Baptiste Puel, Daniel Suchet, Jean-Francois Guillemoles, Arnaud Etcheberry, Muriel Bouttemy, Stefania Cacovich
Summary: Understanding the effects of X-rays on halide perovskite thin films is crucial for accurate characterization and practical usage of these materials in detection systems. This study utilizes advanced optical imaging techniques to comprehensively understand the degradation mechanism occurring in the material during photoemission spectroscopy measurements. The findings highlight the impact of X-rays on the perovskite layers, providing valuable insights for investigations using X-ray based techniques and the development of perovskite-based X-ray detectors and solar cells for space applications.
ADVANCED FUNCTIONAL MATERIALS
(2023)
Article
Physics, Multidisciplinary
Jakob Soltau, Markus Osterhoff, Tim Salditt
Summary: This novel approach to x-ray microscopy combines a multilayer zone plate with an iterative phase retrieval scheme to achieve high resolution and quantitative phase contrast.
PHYSICAL REVIEW LETTERS
(2022)
Article
Multidisciplinary Sciences
Allan S. Johnson, Jordi Valls Conesa, Luciana Vidas, Daniel Perez-Salinas, Christian M. Gunther, Bastian Pfau, Kent A. Hallman, Richard F. Haglund, Stefan Eisebitt, Simon Wall
Summary: Solid-state systems can host a variety of thermodynamic phases that are challenging to study on the nanoscale due to the coexistence of multiple phases. Coherent diffractive imaging spectroscopy (CDIS) enables nanometer-scale resolution hyperspectral imaging of vanadium oxide, extracting refractive indices of different phases from a single sample without evidence of correlation-driven phase transitions. CDIS allows quantitative full-field x-ray spectromicroscopy for studying phase separation in extreme sample environments.
Article
Biochemistry & Molecular Biology
Koichiro Oishi, Mayu Nagamori, Yasuhiro Kashino, Hiroshi Sekiguchi, Yuji C. Sasaki, Atsuo Miyazawa, Yuri Nishino
Summary: Nicotinic acetylcholine receptors play a crucial role in signal transduction at the neuromuscular junction. The movement and conformational changes of the extracellular domain affect ion channel opening. The study used diffraction X-ray tracking to analyze the intramolecular motion of native nAChR proteins in living myotube cells, revealing that the motion of the extracellular domain is restricted by an antagonist in the presence of an agonist.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Materials Science, Multidisciplinary
Shaswat Mohanty, Christopher B. Cooper, Hui Wang, Mengning Liang, Wei Cai
Summary: X-ray photon correlation spectroscopy (XPCS) and X-ray speckle visibility spectroscopy (XSVS) are two methods used to study dynamic processes in materials. Interpretation of the data is important to establish the connection between macroscopic responses and microstructural dynamics, and a computational framework is presented to model these experiments. The efficiency and accuracy of two computational methods are compared, and the computed X-ray speckle patterns capture density fluctuations and show agreement with experimental results.
MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING
(2022)
Article
Multidisciplinary Sciences
N. G. Burdet, V Esposito, M. H. Seaberg, C. H. Yoon, J. J. Turner
Summary: X-ray photon fluctuation spectroscopy using a two-pulse mode at the Linac Coherent Light Source shows potential for studying quantum fluctuations in materials but faces challenges in data analysis complexity. Modifying numerical modeling tools can optimize parameters for extracting speckle contrast, allowing for measurement of correlation time for spontaneous fluctuations.
SCIENTIFIC REPORTS
(2021)
Article
Physics, Multidisciplinary
Johannes Moeller, Mario Reiser, Joerg Hallmann, Ulrike Boesenberg, Alexey Zozulya, Hendrik Rahmann, Anna-Lena Becker, Fabian Westermeier, Thomas Zinn, Michael Sprung, Theyencheri Narayanan, Christian Gutt, Anders Madsen
Summary: The X-ray speckle visibility spectroscopy (XSVS) technique has been successfully applied to study the dynamics of radiation sensitive biological samples at low doses, allowing for the observation of static, frozen speckle patterns. This technique, when combined with new generation X-ray sources, shows great potential for further investigations of protein dynamics.
NEW JOURNAL OF PHYSICS
(2021)
Article
Chemistry, Physical
Takeshi Egami, Yuya Shinohara
Article
Polymer Science
Guan-Rong Huang, Yangyang Wang, Changwoo Do, Yuya Shinohara, Takeshi Egami, Lionel Porcar, Yun Liu, Wei-Ren Chen
Article
Chemistry, Physical
Yuya Shinohara, Ray Matsumoto, Matthew W. Thompson, Chae Woo Ryu, Wojciech Dmowski, Takuya Iwashita, Daisuke Ishikawa, Alfred Q. R. Baron, Peter T. Cummings, Takeshi Egami
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2019)
Article
Multidisciplinary Sciences
Yuya Shinohara, Taito Osaka, Ichiro Inoue, Takuya Iwashita, Wojciech Dmowski, Chae Woo Ryu, Yadu Sarathchandran, Takeshi Egami
NATURE COMMUNICATIONS
(2020)
Article
Chemistry, Physical
Ray A. Matsumoto, Matthew W. Thompson, Van Quan Vuong, Weiwei Zhang, Yuya Shinohara, Adri C. T. van Duin, Paul R. C. Kent, Stephan Irle, Takeshi Egami, Peter T. Cummings
Summary: This study presents molecular-simulation-based calculations of the Van Hove correlation function (VHF) of water using multiple modeling approaches and compares them to experimental results for validation. The models show qualitative agreement with the experiments and in some cases, quantitative agreement is observed for certain properties. This work sets the foundation for future simulation approaches to calculate the VHF for aqueous solutions in bulk and under nanoconfinement.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
(2021)
Article
Polymer Science
Guan-Rong Huang, Christopher N. Lam, Kunlun Hong, Yangyang Wang, Yuya Shinohara, Changwoo Do, Wei-Ren Chen
Summary: The structural studies of wormlike micelles have mainly focused on the conformational properties of surfactant aggregates, with little exploration on the diffuse ionic atmosphere. This report outlines a strategy using contrast variation small-angle neutron scattering for crucial structural studies. The analytical framework established can quantitatively describe counterion distribution in a mathematically tractable manner, and can be extended to facilitate studies of complex multicomponent systems using contrast variation neutron scattering.
Article
Chemistry, Physical
Chi-Huan Tung, Shou-Yi Chang, Hsin-Lung Chen, Yangyang Wang, Kunlun Hong, Jan Michael Carrillo, Bobby G. Sumpter, Yuya Shinohara, Changwoo Do, Wei-Ren Chen
Summary: This study presents a machine learning strategy to quantitatively determine the conformation of AB-type diblock copolymers with excluded volume effects using small angle scattering. By establishing a correlation matrix and applying the Gaussian process, the relevant conformational characteristics of copolymers can be probabilistically inferred from their coherent scattering cross sections without model assumptions. This work is important for the quantitative structural analysis of copolymer solutions and the theoretical development of scattering functions.
JOURNAL OF CHEMICAL PHYSICS
(2022)
Article
Chemistry, Physical
Yuya Shinohara, Alexander S. Ivanov, Dmitry Maltsev, Garrett E. Granroth, Douglas L. Abernathy, Sheng Dai, Takeshi Egami
Summary: This study provides experimental insights into the dynamics of molten magnesium chloride at high temperatures, revealing the distance-dependent dynamics of molten salts. The results significantly improve our understanding of the interplay between microscopic structural parameters and dynamics, which ultimately control the physical properties of condensed matter in extreme environments.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
Article
Polymer Science
Guan-Rong Huang, Chi-Huan Tung, Lionel Porcar, Yangyang Wang, Yuya Shinohara, Changwoo Do, Wei-Ren Chen
Summary: This paper outlines a strategy for determining the size polydispersity of systems using small angle coherent scattering. By employing the method of moment expansion, the various central moments representing the average particle size, variance of particle size, and skewness of size distribution function (SDF) can be extracted from spectral analysis without bias. The effectiveness of this approach is demonstrated through numerical benchmarking and experimental validation using small-angle neutron scattering data obtained from L64 Pluronic micelles.
Article
Chemistry, Multidisciplinary
Guan-Rong Huang, Chi-Huan Tung, Meng-Zhe Chen, Lionel Porcar, Yuya Shinohara, Christoph U. Wildgruber, Changwoo Do, Wei-Ren Chen
Summary: This article presents a robust method for removing smearing effects in one-dimensional small-angle scattering intensity profiles. The method utilizes the central-moment-expansion technique to achieve model-free desmearing, eliminating the need for presumptive input. This innovative approach enables faster implementation and performance of data analysis and fitting functions without convolution with structural models.
JOURNAL OF APPLIED CRYSTALLOGRAPHY
(2023)
Article
Physics, Multidisciplinary
Eva Zarkadoula, Yuya Shinohara, Takeshi Egami
Summary: Split-pulse x-ray photon correlation spectroscopy is a promising tool to probe atomic dynamics in liquid and soft-matter, but the heating effect of the x-ray beam poses a major challenge. In this study, molecular dynamics and the two-temperature model are used to investigate the atomic level response of water to x-ray laser pulse. The results show that besides the beam energy, the time delay between the two pulses is also critical for obtaining reliable information on the atomic dynamics of water.
PHYSICAL REVIEW RESEARCH
(2022)
Article
Chemistry, Physical
Takeshi Egami, Yuya Shinohara
JOURNAL OF CHEMICAL PHYSICS
(2020)
Article
Chemistry, Physical
Guan-Rong Huang, Chi-Huan Tung, Dongsook Chang, Christopher N. Lam, Changwoo Do, Yuya Shinohara, Shou-Yi Chang, Yangyang Wang, Kunlun Hong, Wei-Ren Chen
JOURNAL OF CHEMICAL PHYSICS
(2020)
Article
Physics, Fluids & Plasmas
Yuya Shinohara, Wojciech Dmowski, Takuya Iwashita, Daisuke Ishikawa, Alfred Q. R. Baron, Takeshi Egami
Correction
Physics, Fluids & Plasmas
Yuya Shinohara, Wojciech Dmowski, Takuya Iwashita, Bin Wu, Daisuke Ishikawa, Alfred Q. R. Baron, Takeshi Egami
