Quantitative Imaging of Single, Unstained Viruses with Coherent X-rays

Since Perutz, Kendrew and colleagues unveiled the structure of hemoglobin and myoglobin based on X-ray diffraction analysis in the 1950s, X-ray crystallography has become the primary methodology used to determine the 3D structure of macromolecules. However, biological specimens such as cells, organelles, viruses and many important macromolecules are difficult or impossible to crystallize, and hence their structures are not accessible by crystallography. Here we report, for the first time, the recording and reconstruction of X-ray diffraction patterns from single, unstained viruses. The structure of the viral capsid inside a virion was visualized. This work opens the door for quantitative X-ray imaging of a broad range of specimens from protein machineries, viruses and organelles to whole cells. Moreover, our experiment is directly transferable to the use of X-ray free electron lasers, and represents a major experimental milestone towards the X-ray imaging of single macromolecules.Comment: 16 pages, 5 figure

Dynamical x-ray diffraction from nonuniform crystalline films: Application to x-ray rocking curve analysis

A dynamical model for the general case of Bragg x-ray diffraction from arbitrarily thick nonuniform crystalline films is presented. The model incorporates depth-dependent strain and a spherically symmetric Gaussian distribution of randomly displaced atoms and can be applied to the rocking curve analysis of ion-damaged single crystals and strained layer superlattices. The analysis of x-ray rocking curves using this model provides detailed strain and damage depth distributions for ion-implanted or MeV-ion-bombarded crystals and layer thickness, and lattice strain distributions for epitaxial layers and superlattices. The computation time using the dynamical model is comparable to that using a kinematical model. We also present detailed strain and damage depth distributions in MeV-ion-bombarded GaAs(100) crystals. The perpendicular strain at the sample surface, measured as a function of ion-beam dose (D), nuclear stopping power (Sn), and electronic stopping power (Se) is shown to vary according to (1–kSe)DSn and saturate at high doses

High-Resolution Crystal Truncation Rod Scattering: Application to Ultrathin Layers and Buried Interfaces

In crystalline materials, the presence of surfaces or interfaces gives rise to crystal truncation rods (CTRs) in their X‐ray diffraction patterns. While structural properties related to the bulk of a crystal are contained in the intensity and position of Bragg peaks in X‐ray diffraction, CTRs carry detailed information about the atomic structure at the interface. Developments in synchrotron X‐ray sources, instrumentation, and analysis procedures have made CTR measurements into extremely powerful tools to study atomic reconstructions and relaxations occurring in a wide variety of interfacial systems, with relevance to chemical and electronic functionalities. In this review, an overview of the use of CTRs in the study of atomic structure at interfaces is provided. The basic theory, measurement, and analysis of CTRs are covered and applications from the literature are highlighted. Illustrative examples include studies of complex oxide thin films and multilayers

Progress and Poverty—1965 Version

The first hard X-ray laser, the Linac Coherent Light Source (LCLS), produces 120 shots per second. Particles injected into the X-ray beam are hit randomly and in unknown orientations by the extremely intense X-ray pulses, where the femtosecond-duration X-ray pulses diffract from the sample before the particle structure is significantly changed even though the sample is ultimately destroyed by the deposited X-ray energy. Single particle X-ray diffraction experiments generate data at the FEL repetition rate, resulting in more than 400,000 detector readouts in an hour, the data stream during an experiment contains blank frames mixed with hits on single particles, clusters and contaminants. The diffraction signal is generally weak and it is superimposed on a low but continually fluctuating background signal, originating from photon noise in the beam line and electronic noise from the detector. Meanwhile, explosion of the sample creates fragments with a characteristic signature. Here, we describe methods based on rapid image analysis combined with ion Time-of-Flight (ToF) spectroscopy of the fragments to achieve an efficient, automated and unsupervised sorting of diffraction data. The studies described here form a basis for the development of real-time frame rejection methods, e. g. for the European XFEL, which is expected to produce 100 million pulses per hour. (C)2014 Optical Society of Americ

X-ray diffraction analysis of cohenite from iron meteorites

X-ray diffraction investigation of cohenite from Canyon Diablo meteorites and Odessa shock standards to determine shock-induced alterations in crystal characte

Physical properties of single-crystalline fibers of the colossal-magnetoresistance manganite La0.7Ca0.3MnO3

We have grown high-quality single crystals of the colossal-magnetoresistance (CMR) material La0.7Ca0.3MnO3 by using the laser heated pedestal growth (LHPG) method. Samples were grown as fibers of different diameters, and with lengths of the order of centimeters. Their composition and structure were verified through X-ray diffraction, scanning electron microcopy with EDX (Energy Dispersive X-ray Analysis) and by Rietveld analysis. The quality of the crystalline fibers was confirmed by Laue and EBSD (Electron Backscatter Diffraction) patterns. Rocking curves performed along the fiber axis revealed a half-height width of 0.073 degrees. The CMR behavior was confirmed by electrical resistivity and magnetization measurements as a function of temperature.Comment: 11 pages (including 3 figures); to appear in Appl. Phys. Let

An X-ray diffraction study of titanium oxidation

Titanium specimens of commercial purity were exposed at 1100 to 1400 F to laboratory air for times up to 100 hours. The extent of substrate contamination by interstitial oxygen was was determined by a new X-ray diffraction analysis involving transformation of X-ray diffraction intensity bands. The oxygen solid-solubility at the oxide-metal interfaces and its variation with time at temperature were also determined. Diffusion coefficients are deduced from the oxygen depth profiles

X-Ray Absorption and Scattering by Interstellar Grains

Interstellar abundance determinations from fits to X-ray absorption edges often rely on the incorrect assumption that scattering is insignificant and can be ignored. We show instead that scattering contributes significantly to the attenuation of X-rays for realistic dust grain size distributions and substantially modifies the spectrum near absorption edges of elements present in grains. The dust attenuation modules used in major X-ray spectral fitting programs do not take this into account. We show that the consequences of neglecting scattering on the determination of interstellar elemental abundances are modest; however, scattering (along with uncertainties in the grain size distribution) must be taken into account when near-edge extinction fine structure is used to infer dust mineralogy. We advertise the benefits and accuracy of anomalous diffraction theory for both X-ray halo analysis and near edge absorption studies. An open source Fortran suite, General Geometry Anomalous Diffraction Theory (GGADT), is presented that calculates X-ray absorption, scattering, and differential scattering cross sections for grains of arbitrary geometry and composition.Comment: 32 pages, 15 figure

Elevated temperature instability of Stellite 6B

Metallographic and chemical analysis by X-ray diffraction, microscopic examination, and electron microprobes of elevated temperature instability effects on Stellite 6