Observation of correlated X-ray scattering at atomic resolution

Mendez, Derek; Lane, Thomas J; Sung, Jongmin; Sellberg, Jonas A.; Levard, Clément; Watkins, Herschel M.; Cohen, Aina E.; Soltis, M.; Sutton, Shirley; Spudich, James A.; Pande, Vijay S.; Ratner, Daniel; Doniach, Sebastian

doi:10.1098/rstb.2013.0315

Cited by 33 publications

(37 citation statements)

References 21 publications

(38 reference statements)

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“…Note that the real shape and binding mode of the ligand sphere may be more complex than that displayed in In order to determine the angular correlations and unit cell parameters within each domain quantitatively, we applied an XCCA approach (see Methods for XCCA details). [48][49][50][51][59][60][61][62] This method is based on the evaluation of a two-point angular cross-correlation function (CCF) that can be calculated for each diffraction profile as 48,49 (…”

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Quantifying Angular Correlations between the Atomic Lattice and the Superlattice of Nanocrystals Assembled with Directional Linking

et al. 2017

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We show that the combination of X-ray scattering with a nanofocused beam and X-ray cross correlation analysis is an efficient means for the full structural characterization of mesocrystalline nanoparticle assemblies with a single experiment. We analyze several hundred diffraction patterns of individual sample locations, i.e. individual grains, to obtain a meaningful statistical distribution of the superlattice and atomic lattice ordering. Simultaneous small-and wide-angle X-ray scattering of the same sample location allows us to determine the structure and orientation of the superlattice as well as the angular correlation of the first two Bragg peaks of the atomic lattices, their orientation with respect to the superlattice, and the average orientational misfit due to local structural disorder. This experiment is particularly advantageous for synthetic mesocrystals made by the simultaneous self-assembly of colloidal nanocrystals and surfacefunctionalization with conductive ligands. While the structural characterization of such materials has been challenging so far, the present method now allows correlating mesocrystalline structure with optoelectronic properties. Mesocrystals (MC) are three-dimensional arrays of iso-oriented single-crystalline particles with an individual size between 1 -1000 nm. [1][2][3][4][5] Their physical properties are largely determined by structural coherence, for which the angular correlation between their individual atomic lattices and the underlying superlattice of nanocrystals (NC) is a key ingredient. 1,2 Colloidal NCs stabilized by organic surfactants have been shown to pose excellent building blocks for the design of synthetic MCs with tailored structural properties which are conveniently obtained by self-assembly of NCs from solution on a solid or liquid substrate by exploiting ligand-ligand 3 interactions. [6][7][8][9][10][11][12][13][14][15][16][17][18][19][20][21][22][23][24][25] Typically, the utilized ligands consist of wide-gap, bulky hydrocarbons which render the MCs insulating. [26][27][28][29][30][31][32][33] MCs obtained in this way exhibit average grain sizes of ~150 µm 2 , which enables a detailed characterization by electron and/or X-ray microscopy. 34 Since the optoelectronic properties of PbS NC ensembles bear many opportunities for applications in solar cells or photodetectors, a number of ligand exchange procedures with small organic or inorganic molecules as well as single atom passivation strategies have been developed, all of which greatly increase the carrier mobilities within the SL of NCs. 28,33,[35][36][37][38][39][40][41][42][43][44] Due to the short interparticle spacing imposed by these ligands, structural coherence is mostly lost in such superlattices, but in rare cases it has been demonstrated that significant long-range order and even mesocrystallinity can be preserved. 25,35,45 However, a persisting problem of these protocols is that they are prone to introduce defects in the superlattice structure with some degree of granularity and signifi...

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Quantifying Angular Correlations between the Atomic Lattice and the Superlattice of Nanocrystals Assembled with Directional Linking

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“…The machine, in a 2-mile-long tunnel near Stanford, generates 120 pulses of hard or soft X-rays per second, containing about 1 Â 10 12 photons per 10 fs pulse, and, using purpose-built detectors, allows the diffraction pattern from each pulse to be read-out and saved. Broadly, three types of experiments were first attempted-those in which hydrated protein nanocrystals were sprayed across the pulsed beam (serial femtosecond nanocrystallography, SFX), those in which the hard X-ray beam of micrometre dimensions traverses many biomolecules in a liquid jet (fast solution scattering, FSS-see contributions by Haldrup [4], Mendez et al [5] and Pande et al [6]), and single particle (SP) imaging, in which a beam of submicrometre dimensions scatters from an SP such as a virus [7][8][9]. Before long many other experimental arrangements had also been tried during this exciting first 4 years, including fixed samples scanned across the beam for the study of two-dimensional membrane protein crystals [10], time-resolved SFX [11] (see also Moffat [12]), and new types of sample delivery devices, such as those based on the lipid cubic phase [13,14] and on electrospraying [15].…”

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The birth of a new field

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Chapman

2014

Phil. Trans. R. Soc. B

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“…In Ref. 1, we showed that we could experimentally verify this convergence for around 10,000 shots of randomly oriented samples of silver nanoparticles. For the case of the silver nanoparticles, we were able to show that the average correlator may be represented by a model of the silver nanoparticles as an FCC lattice contained within a sphere of nanoparticle size (20 nm).…”

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“…2 Previous observations of local symmetries in colloidal glasses 3 successfully applied the CXS technique. Recent work on metallic nanoparticles 1 shows the feasability to extract three-dimensional structural detail beyond the low resolution data of small-angle X-ray scattering. Here, we report on simulations of the expected correlations for a solution containing short lengths of DNA of order of a couple of persistence lengths which show characteristic features associated with the double-helical structure of DNA.…”

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Potential for measurement of the distribution of DNA folds in complex environments using Correlated X-ray Scattering

et al. 2016

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In vivo chromosomal behavior is dictated by the organization of genomic DNA at length scales ranging from nanometers to microns. At these disparate scales, the DNA conformation is influenced by a range of proteins that package, twist and disentangle the DNA double helix, leading to a complex hierarchical structure that remains undetermined. Thus, there is a critical need for methods of structural characterization of DNA that can accommodate complex environmental conditions over biologically relevant length scales. Based on multiscale molecular simulations, we report on the possibility of measuring supercoiling in complex environments using angular correlations of scattered X-rays resulting from X-ray free electron laser (xFEL) experiments. We recently demonstrated the observation of structural detail for solutions of randomly oriented metallic nanoparticles [D. Mendez et al., Philos. Trans. R. Soc. B 360 (2014) 20130315]. Here, we argue, based on simulations, that correlated X-ray scattering (CXS) has the potential for measuring the distribution of DNA folds in complex environments, on the scale of a few persistence lengths.

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Observation of correlated X-ray scattering at atomic resolution

Cited by 33 publications

References 21 publications

Quantifying Angular Correlations between the Atomic Lattice and the Superlattice of Nanocrystals Assembled with Directional Linking

Quantifying Angular Correlations between the Atomic Lattice and the Superlattice of Nanocrystals Assembled with Directional Linking

The birth of a new field

Potential for measurement of the distribution of DNA folds in complex environments using Correlated X-ray Scattering

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