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ISIS Deuteration Facility

ISIS Deuteration Facility. Kun Ma, Peixun Li, Marek Jura, John Webster April, 2019. History of the Facility. Oxford Isotope Unit moved to RAL and became the ISIS Deuteration Facility with ChuChuan Dong. Peixun Li appointed as Lab Manager.

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ISIS Deuteration Facility

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  1. ISIS Deuteration Facility Kun Ma, Peixun Li, Marek Jura, John Webster April, 2019

  2. History of the Facility Oxford Isotope Unit moved to RAL and became the ISIS Deuteration Facility with ChuChuan Dong Peixun Li appointed as Lab Manager Oxford Isotope Unit funded by STFC to supply deuterated materials to ISIS users Sarah Youngs and James Tellam joined the team ChuChuan retired Kun Ma joined the team Jack Hayden appointed

  3. Proposals

  4. Proposals Deuteration requests covering: FAP 1: Diffraction FAP 2: Liquids FAP 3: Large Scale Structures FAP 4: Excitations FAP 5: Molecular Spectroscopy European access: • Providing Starting materials for DEUNET partners. • Supporting several research groups with deuterated materials.

  5. Peptide synthesiser

  6. Solid-Phase Peptide Synthesis (SPPS)

  7. Lipopeptides C10-K3I3 C12-K3I3 C14-K3I3 C14-KKGGII C14-KKGGIIKK C14-KKGGLL C14-GGKKLL C14-KKGGII C6-A6K C6-A6K2 C6-A6K3 C6-K2A6 C8-A6K3 C8-K3I3 Show strong antimicrobial property Too hydrophilic to kill bacteria C12-(IKIK)2 C12-G(IIKK)2I = C12G2 C12-G(IKIK)2I = C12G’2

  8. Surface lipid amount: 2.1±0.1μmol/m2 Distance from interface (Å) Distance from interface (Å) Surface lipid amount: 3.5±0.1μmol/m2

  9. Surface lipid amount: 2.9±0.1μmol/m2 Surface lipid amount: 3.5±0.1μmol/m2

  10. Lipid surfactant interaction: impact of surfactant molecular structure Anionic Cationic Surfactant with lower P value significantly impact the curvature of the lipid bilayer and make the lipid bilayer unstable. J. Phys. Chem. B 2017 121 (29), 7122-7132

  11. Synthesis and deuteration of surfactants ISIS Deuteration Facility OHAB Pt/C,NaOD,D2O CnH2n+1COOH 3 days*2, 220 oC C18HAB LiAlD4 PPh3 CnD2n+1Br CnD2n+1COOH CBr4 Head group CnD2n+1Br C16, C18, Iso-C18HAB IHAB C16HAB d-62 DPPC The red part of tail is deuterated.

  12. DPPC monolayer with surfactants Neutron reflection △π NR profiles of C18HAB with DPPC

  13. DPPC monolayer with surfactants NR profiles of Iso-C18HAB with DPPC NR profiles of OHAB with DPPC

  14. Small angle neutron scattering

  15. α-Alkyl Ester Sulfonate C14MES • Improved detergency • Enhanced low temperature performance • Greater tolerance to multivalent counterions • Improved biocompatibility and biodegradability • A potential replacement for anionic surfactants such as the alkly sulfates, LAS and SAES surfactants. C14EES C14PES C16MES Iso-C18MES

  16. NR profiles of 1.0 mM C14MES with AlCl3 Neutron reflectivity for 1 mM MES in AlCl3/CaCl2, (b) 5 mM CaCl2, (c) 25 mM CaCl2 Surface phase behaviour as a function of C14MES with AlCl3 concentrations

  17. Neutron reflectivity for 1 mM MES in 5 mM MgCl2 and AlCl3, Approximate surface phase diagram for 1 mM MES in AlCl3/CaCl2 mixture and AlCl3/MgCl2 mixture

  18. Neutron reflectivity for 0.5 mM C14EES in nrw and AlCl3 NR data for 1.0 mMC14EES/5 mM CaCl2 and AlCl3 concentrations from 0.05 to 0.5 mM

  19. SANS • Increasing the degree of esterification of the headgroup from methyl to propyl has only a modest impact upon the micelle size. • Increasing the degree of esterification of the headgroup results in a more highly charged micelle. • Increasing the alkyl chain length does have a more significant impact upon the micelle aggregation. • In the presence of AlCl3 only relatively modest micellar growth occurs before the onset of precipitation. The growth is more significant in the presence of NaCl, and for the longer alkyl chain length surfactants.

  20. https://www.isis.stfc.ac.uk/Pages/ISIS_Deuteration_for_Neutron_Science_Meeting_2019.aspxhttps://www.isis.stfc.ac.uk/Pages/ISIS_Deuteration_for_Neutron_Science_Meeting_2019.aspx

  21. Thanks for your attention!

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