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Instruments / Technical Area	Publication Details	Published	Actions
B21-High Throughput SAXS	Self-sorting in diastereomeric mixtures of functionalized dipeptides Qingwen Guan , Kate Mcaulay , Tian Xu , Sarah E. Rogers , Charlotte Edwards-Gayle , Ralf Schweins , Honggang Cui , Annela M. Seddon , Dave J. Adams Biomacromolecules DOI: 10.1021/acs.biomac.3c00246 Diamond Proposal Number(s): [29985] Open Access Show Abstract ▼ Abstract: Self-sorting in functionalized dipeptide systems can be driven by the chirality of a single amino acid, both at a high pH in the micellar state and at a low pH in the gel state. The structures formed are affected to some degree by the relative concentrations of each component showing the complexity of such an approach. The structures underpinning the gel network are predefined by the micellar structures at a high pH. Here, we describe the systems prepared from two dipeptide-based gelators that differ only by the chirality of one of the amino acids. We provide firm evidence for self-sorting in the micellar and gel phases using small-angle neutron scattering and cryo-transmission electron microscopy (cryo-TEM), showing that complete self-sorting occurs across a range of relative concentrations.	May 2023
I22-Small angle scattering & Diffraction	Learning about SANS instruments and data reduction from round robin measurements on samples of polystyrene latex Adrian R. Rennie , Maja S. Hellsing , Kathleen Wood , Elliot P. Gilbert , Lionel Porcar , Ralf Schweins , Charles D. Dewhurst , Peter Lindner , Richard K. Heenan , Sarah Rogers , Paul D. Butler , Jeffery R. Krzywon , Ron E. Ghosh , Andrew J. Jackson , Marc Malfois Journal Of Applied Crystallography 46 (5), 1289 - 1297 DOI: 10.1107/S0021889813019468 Show Abstract ▼ Abstract: Measurements of a well-characterised ‘standard’ sample can verify the performance of an instrument. Typically, small-angle neutron scattering instruments are used to investigate a wide range of samples and may often be used in a number of configurations. Appropriate ‘standard’ samples are useful to test different aspects of the performance of hardware as well as that of the data reduction and analysis software. Measurements on a number of instruments with different intrinsic characteristics and designs in a round robin can not only better characterise the performance for a wider range of conditions but also, perhaps more importantly, reveal the limits of the current state of the art of small-angle scattering. The exercise, followed by detailed analysis, tests the limits of current understanding as well as uncovers often forgotten assumptions, simplifications and approximations that underpin the current practice of the technique. This paper describes measurements of polystyrene latex, radius 720 Å with a number of instruments. Scattering from monodisperse, uniform spherical particles is simple to calculate and displays sharp minima. Such data test the calibrations of intensity, wavelength and resolution as well as the detector response. Smoothing due to resolution, multiple scattering and polydispersity has been determined. Sources of uncertainty are often related to systematic deviations and calibrations rather than random counting errors. The study has prompted 2 development of software to treat modest multiple scattering and to better model the instrument resolution. These measurements also allow checks of data reduction algorithms and have identified how they can be improved. The reproducibility and the reliability of instruments and the accuracy of parameters derived from the data are described.	Oct 2013

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B21-High Throughput SAXS

Self-sorting in diastereomeric mixtures of functionalized dipeptides

Qingwen Guan , Kate Mcaulay , Tian Xu , Sarah E. Rogers , Charlotte Edwards-Gayle , Ralf Schweins , Honggang Cui , Annela M. Seddon , Dave J. Adams

Biomacromolecules

DOI: 10.1021/acs.biomac.3c00246

Diamond Proposal Number(s): [29985]