Takaki Hatsui

Bio: Takaki Hatsui is an academic researcher from Graduate University for Advanced Studies. The author has contributed to research in topics: SACLA & Ionization. The author has an hindex of 34, co-authored 111 publications receiving 4658 citations. Previous affiliations of Takaki Hatsui include Royal Institute of Technology & University of Tokyo.

A compact X-ray free-electron laser emitting in the sub-ångström region

Abstract: Researchers report sub-angstrom fundamental-wavelength lasing at the SPring-8 Angstrom Compact Free-Electron Laser in Japan. The output has a maximum power of more than 10 GW, a pulse duration of 10−14 s and a lasing wavelength of 0.634 A.

Light-induced structural changes and the site of O=O bond formation in PSII caught by XFEL.

Abstract: Photosystem II (PSII) is a huge membrane-protein complex consisting of 20 different subunits with a total molecular mass of 350 kDa for a monomer. It catalyses light-driven water oxidation at its catalytic centre, the oxygen-evolving complex (OEC). The structure of PSII has been analysed at 1.9 A resolution by synchrotron radiation X-rays, which revealed that the OEC is a Mn4CaO5 cluster organized in an asymmetric, 'distorted-chair' form. This structure was further analysed with femtosecond X-ray free electron lasers (XFEL), providing the 'radiation damage-free' structure. The mechanism of O=O bond formation, however, remains obscure owing to the lack of intermediate-state structures. Here we describe the structural changes in PSII induced by two-flash illumination at room temperature at a resolution of 2.35 A using time-resolved serial femtosecond crystallography with an XFEL provided by the SPring-8 angstrom compact free-electron laser. An isomorphous difference Fourier map between the two-flash and dark-adapted states revealed two areas of apparent changes: around the QB/non-haem iron and the Mn4CaO5 cluster. The changes around the QB/non-haem iron region reflected the electron and proton transfers induced by the two-flash illumination. In the region around the OEC, a water molecule located 3.5 A from the Mn4CaO5 cluster disappeared from the map upon two-flash illumination. This reduced the distance between another water molecule and the oxygen atom O4, suggesting that proton transfer also occurred. Importantly, the two-flash-minus-dark isomorphous difference Fourier map showed an apparent positive peak around O5, a unique μ4-oxo-bridge located in the quasi-centre of Mn1 and Mn4 (refs 4,5). This suggests the insertion of a new oxygen atom (O6) close to O5, providing an O=O distance of 1.5 A between these two oxygen atoms. This provides a mechanism for the O=O bond formation consistent with that proposed previously

A three-dimensional movie of structural changes in bacteriorhodopsin

Abstract: Bacteriorhodopsin (bR) is a light-driven proton pump and a model membrane transport protein. We used time-resolved serial femtosecond crystallography at an x-ray free electron laser to visualize conformational changes in bR from nanoseconds to milliseconds following photoactivation. An initially twisted retinal chromophore displaces a conserved tryptophan residue of transmembrane helix F on the cytoplasmic side of the protein while dislodging a key water molecule on the extracellular side. The resulting cascade of structural changes throughout the protein shows how motions are choreographed as bR transports protons uphill against a transmembrane concentration gradient.

Development of an X-ray pixel detector with multi-port charge-coupled device for X-ray free-electron laser experiments

Abstract: This paper presents development of an X-ray pixel detector with a multi-port charge-coupled device (MPCCD) for X-ray Free-Electron laser experiments. The fabrication process of the CCD was selected based on the X-ray radiation hardness against the estimated annual dose of 1.6 × 1014 photon/mm2. The sensor device was optimized by maximizing the full well capacity as high as 5 Me- within 50 μm square pixels while keeping the single photon detection capability for X-ray photons higher than 6 keV and a readout speed of 60 frames/s. The system development also included a detector system for the MPCCD sensor. This paper summarizes the performance, calibration methods, and operation status.

Deep Inner-Shell Multiphoton Ionization by Intense X-Ray Free-Electron Laser Pulses

Abstract: We have investigated multiphoton multiple ionization dynamics of xenon atoms using a new x-ray free-electron laser facility, SPring-8 Angstrom Compact free electron LAser (SACLA) in Japan, and iden ...

Attosecond Physics

Abstract: Summary form only given. Fundamental processes in atoms, molecules, as well as condensed matter are triggered or mediated by the motion of electrons inside or between atoms. Electronic dynamics on atomic length scales tends to unfold within tens to thousands of attoseconds (1 attosecond [as] = 10-18 s). Recent breakthroughs in laser science are now opening the door to watching and controlling these hitherto inaccessible microscopic dynamics. The key to accessing the attosecond time domain is the control of the electric field of (visible) light, which varies its strength and direction within less than a femtosecond (1 femtosecond = 1000 attoseconds). Atoms exposed to a few oscillations cycles of intense laser light are able to emit a single extreme ultraviolet (XUV) burst lasting less than one femtosecond. Full control of the evolution of the electromagnetic field in laser pulses comprising a few wave cycles have recently allowed the reproducible generation and measurement of isolated sub-femtosecond XUV pulses, demonstrating the control of microscopic processes (electron motion and photon emission) on an attosecond time scale. These tools have enabled us to visualize the oscillating electric field of visible light with an attosecond "oscilloscope", to control single-electron and probe multi-electron dynamics in atoms, molecules and solids. Recent experiments hold promise for the development of an attosecond X-ray source, which may pave the way towards 4D electron imaging with sub-atomic resolution in space and time.

Phase Retrieval with Application to Optical Imaging: A contemporary overview

Abstract: i»?The problem of phase retrieval, i.e., the recovery of a function given the magnitude of its Fourier transform, arises in various fields of science and engineering, including electron microscopy, crystallography, astronomy, and optical imaging. Exploring phase retrieval in optical settings, specifically when the light originates from a laser, is natural since optical detection devices [e.g., charge-coupled device (CCD) cameras, photosensitive films, and the human eye] cannot measure the phase of a light wave. This is because, generally, optical measurement devices that rely on converting photons to electrons (current) do not allow for direct recording of the phase: the electromagnetic field oscillates at rates of ~1015 Hz, which no electronic measurement device can follow. Indeed, optical measurement/detection systems measure the photon flux, which is proportional to the magnitude squared of the field, not the phase. Consequently, measuring the phase of optical waves (electromagnetic fields oscillating at 1015 Hz and higher) involves additional complexity, typically by requiring interference with another known field, in the process of holography.

Highly coherent and stable pulses from the FERMI seeded free-electron laser in the extreme ultraviolet

Abstract: Researchers demonstrate the FERMI free-electron laser operating in the high-gain harmonic generation regime, allowing high stability, transverse and longitudinal coherence and polarization control.

End-Point Binding Free Energy Calculation with MM/PBSA and MM/GBSA: Strategies and Applications in Drug Design

Abstract: Molecular mechanics Poisson-Boltzmann surface area (MM/PBSA) and molecular mechanics generalized Born surface area (MM/GBSA) are arguably very popular methods for binding free energy prediction since they are more accurate than most scoring functions of molecular docking and less computationally demanding than alchemical free energy methods. MM/PBSA and MM/GBSA have been widely used in biomolecular studies such as protein folding, protein-ligand binding, protein-protein interaction, etc. In this review, methods to adjust the polar solvation energy and to improve the performance of MM/PBSA and MM/GBSA calculations are reviewed and discussed. The latest applications of MM/GBSA and MM/PBSA in drug design are also presented. This review intends to provide readers with guidance for practically applying MM/PBSA and MM/GBSA in drug design and related research fields.