Everything SAXS: small-angle scattering pattern collection and correction

Pauw, Brian R.

doi:10.1088/0953-8984/25/38/383201

Cited by 152 publications

(138 citation statements)

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“…The scattering signal correlates with the electron density distribution within the sample and is thus sensitive to concentration, size and shape (Keshari A.K. and Pandey A.C., 2008;Pauw B.R., 2013). As only one superimposed scattering curve is recorded, data interpretation is challenging and cross-validation against other, independent techniques is required.…”

Section: Small-angle X-ray Scatteringmentioning

confidence: 99%

Analysis of Particle Size Distributions of Quantum Dots: From Theory to Application

Segets

2016

KONA

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Small, quantum-confined semiconductor nanoparticles, known as quantum dots (QDs) are highly important material systems due to their unique optoelectronic properties and their pronounced structure-property relationships. QD applications are seen in the emerging fields of thin films and solar cells. In this review, different characterization techniques for particle size distributions (PSDs) will be summarized with special emphasis on strategies developed and suggested in the past to derive data on the dispersity of a sample from optical absorbance spectra. The latter use the assumption of superimposed individual optical contributions according to the relative abundance of different sizes of a colloidal dispersion. In the second part, the high potential of detailed PSD analysis to get deeper insights of typical QD processes such as classification by size selective precipitation (SSP) will be demonstrated. This is expected to lead to an improved understanding of colloidal surface properties which is of major importance for the development of assumption-free interaction models.

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Section: Small-angle X-ray Scatteringmentioning

confidence: 99%

Analysis of Particle Size Distributions of Quantum Dots: From Theory to Application

Segets

2016

KONA

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“…The amplitude will have information on the phase difference of the two secondary waves under consideration, which in--turn depend on the path difference of the two rays. If the path distances (the distances between the spot recorded on the detector and the secondary wave sources or a pair of electrons) are very large compared to the path difference between them, then the sources are considered parallel to the detector [363,365]. The software program PRIMUS [366] is used to convert this scattering pattern into a SAXS scattering curve, both of which are in reciprocal space.…”

Section: Principle and Underlying Theorymentioning

confidence: 99%

Characterization of the termini of the West Nile virus genome and their interactions with the small isoform of the 2′ 5′-oligoadenylate synthetase family

Deo

Patel

Chojnowski

et al. 2015

Journal of Structural Biology

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confirmed the specificity of the interaction. Solution conformations of both the 5'--TR RNA of WNV and OAS1 were then elucidated using small--angle x--ray scattering. I also report that the 3' terminal region (3'--TR) is able to mediate specific interaction with and activation of OAS1. Binding and kinetic experiments identified a specific stem loop within the 3'--TR that is sufficient for activation of the enzyme. The solution confirmation of the 3'--terminal region was determined by small angle X--ray scattering, and computational models suggest a conformationally restrained structure comprised of a helix and short stem loop. Structural investigation of the 3'--ii TR in complex with OAS1 is also presented. Finally, we show that genome cyclization by base pairing between the 5'--and 3'--TRs, a required step for replication, is not sufficient to protect WNV from OAS1 recognition. The purity, monodispersity and homogeneity of all samples subjected to SAXS analysis were evaluated using dynamic light scattering and/or analytical ultra--centrifuge. These data provide a framework for understanding recognition of the highly structured terminal regions of a flaviviral genome by an innate immune enzyme.iii

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“…Conversely, small-angle scattering (SAS) techniques using Xrays (SAXS) [8] or neutrons (SANS) [9] can detect molecular assemblies with dimensions typically between 1-100 nm in solution. SAS results offer a bulk average over an appreciable volume, are dominated by the most commonly existing assembly structure, and therefore have a high statistical relevancy.…”

mentioning

confidence: 99%

“…Unfortunately, this is often difficult to do, and, while cryo-electron microscopy can reveal high-resolution structures in (frozen) solution, [1,7] there are only a few reports of its use in non-aqueous solutions. [2] Conversely, small-angle scattering (SAS) techniques using Xrays (SAXS) [8] or neutrons (SANS) [9] can detect molecular assemblies with dimensions typically between 1-100 nm in solution. SAS results offer a bulk average over an appreciable volume, are dominated by the most commonly existing assembly structure, and therefore have a high statistical relevancy.…”

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confidence: 99%

Simultaneous SAXS and SANS Analysis for the Detection of Toroidal Supramolecular Polymers Composed of Noncovalent Supermacrocycles in Solution

et al. 2016

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Molecular self-assembly primarily occurs in solution. To better understand this process, techniques capable of probing the solvated state are consequently required. Small-angle scattering (SAS) has a proven ability to detect and characterise solutions, but is rarely applied to more complex assembly shapes. Here, we apply small-angle X-ray and neutron scattering to observe toroidal assemblies in solution. Combined analysis confirms that the toroids have a core-shell structure, with a π-conjugated core and an alkyl shell into which solvent penetrates. The dimensions determined by SAS agree well with those obtained by (dried-state) atomic force microscopy. Increasing the number of naphthalene units in the molecular building block yields greater rigidity, as evidenced by a larger toroid and a reduction in solvent penetration into the shell. The detailed structural analysis demonstrates the applicability of SAS to monitor complex solution-based self-assembly.Self-assembly processes range from the micellisation of amphiphiles [1][2][3] to supramolecular polymerization [4] and onwards to the more elaborate folding of DNA origami.[5] When apolar molecules associate, solvent-solvent and solvent-solute interactions play a key role in the assembly process.[6] Upon solvent removal, the assembly structure is rarely unaffected, necessitating the probing of the sample structure in solution in order to form an accurate assembly model. Unfortunately, this is often difficult to do, and, while cryo-electron microscopy can reveal high-resolution structures in (frozen) solution, [1,7] there are only a few reports of its use in non-aqueous solutions.[2]Conversely, small-angle scattering (SAS) techniques using Xrays (SAXS) [8] or neutrons (SANS) [9] can detect molecular assemblies with dimensions typically between 1-100 nm in solution. SAS results offer a bulk average over an appreciable volume, are dominated by the most commonly existing assembly structure, and therefore have a high statistical relevancy. SAXS and SANS are routinely used to probe various supramolecular assemblies, including molecular capsules and tubes, [10,11] micelles, [2,3,12,13] vesicles, [14,15] organogels, [2,16] and protein tertiary structures.[17] Combining SAXS and SANS can be particularly insightful. The SAXS signal arises from regions contrasting in electron density, while SANS (in this case) highlights 1 H-rich regions of an assembly dispersed in a 2 D-rich solvent.[9]Therefore, for molecules comprising both π-conjugated (e − -rich, 1 H-poor) and aliphatic ( 1 H-rich, e − -poor) parts such as asphaltenes [18] or alkyl-fullerene derivatives, [2] the SAXS and SANS signals will derive from the π-conjugated-rich and aliphatic-rich parts of an assembly, respectively. In these cases, combined SAXS and SANS allows the detection not only of a particular assembly morphology in solution but also of the internal structure. In this regard, the unique self-assembly of 1 in apolar media is an attractive target for SAS investigations ( Figure 1a). Molecule 1, ...

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Everything SAXS: small-angle scattering pattern collection and correction

Abstract: A good review of instrumentation is also given by Chu and Hsiao [24] . Furthermore, tools for instrument design evaluation have recently become available [92]

Cited by 152 publications

References 196 publications

Analysis of Particle Size Distributions of Quantum Dots: From Theory to Application

Analysis of Particle Size Distributions of Quantum Dots: From Theory to Application

Characterization of the termini of the West Nile virus genome and their interactions with the small isoform of the 2′ 5′-oligoadenylate synthetase family

Simultaneous SAXS and SANS Analysis for the Detection of Toroidal Supramolecular Polymers Composed of Noncovalent Supermacrocycles in Solution

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