Applications open for a post-doctoral fellow in physical chemistry (Lund University/ESS/Umeå University/ISIS)

A post-doctoral scientist is sought for a joint project between the Department of Chemistry, Division of Physical Chemistry, Lund University, and the European Spallation Source ERIC to investigate the mechanism of apoptosis-regulating proteins in models of mitochondrial membranes, using a combination of neutron reflectivity and complementary techniques. The project is an international collaboration with Umeå University and the ISIS Neutron and Muon facility with a broader focus on developing experimental and analytical methodologies for mechanistic studies of membrane proteins using neutron reflectometry and NMR.

Information about the project and the position can be found here : https://lu.varbi.com/en/what:job/jobID:468224/

Closing date: 28th February 2022

LINXS Partner event: Lipid bilayers at ESS 13-15 June 2022

“The Bilayers at ILL or BILL” has been a forum to gather scientists working with model membranes to meet and discuss scientific challenges, where the latest one at ILL 11-13 December 2019. This meet has attracted 150-200 scientist in the field of biomembrane biophysics. Now we are planning for the next to take place in Lund, the site of ESS and Max IV on the 13-15 June 2022. Suitably we will call the meeting Bilayers at ESS – BESS. This is all in the spirit of the close collaboration between ILL and ESS. The aim of the workshop is to bring together researchers working with on the physico-chemical characterization of lipid bilayers by means of experimental (including scattering and direct space techniques) and  theoretical approaches.

Where: Scandic Star Hotel, Lund, with possibility for digital participation
When: Monday June 13 – Wednesday June 15, 2022
Registration fees: 350 EUR for senior researchers & 250 EUR for PhD students and Postdoc
Key dates:
Deadline for abstract submission: March 13, 2022
Registration deadline: April 13, 2022
Payment deadline: June 8, 2022

INVITED SPEAKERS

Rumy Dimova, Max Planck Institute of Colloids and Interfaces, Potsdam, Germany
Georg Pabst, Universität Graz, Austria
Michihiro Nagao, NIST, USA
Hanna Barriga, Karolinska Institutet, Sweden
Sebastian Himbert, McMaster University, Canada
Gerhard Groebner, Umeå University, Sweden
Susan Daniel, Cornell University, USA

ORGANIZERS

Scientific committee
Giovanna Fragneto, ILL
Yuri Gerelli, Ancona, Italy
Marité Cardenas Gomez, NTU
Luke Clifton, ISIS
Alexandros Koutsioumpas, JCNS-MLZ
Alessandra Luchini, PSI
Elizabeth Kelly, NIST
Anton Le Brun, Australia

Local organizing committee
Tommy Nylander, Lund University
Marie Skepö, Lund University
Åsa Grunning, Lund University
Hanna Wacklin-Knecht, ESS

Open Call for Chemical and Biodeuteration Proposals at ESS

The Deuteration and Macromolecular Crystallisation (DEMAX) platform at the ESS is issuing a pilot call for chemical and biological deuteration proposals.

Deadline for proposal submission: 25th March 2022

Proposers notified of acceptance: May 2022

Molecules/support delivered: from September 2022

Submit proposals here: https://useroffice.ess.eu

More information here: https://europeanspallationsource.se/article/2022/01/10/pilot-call-chemical-and-biodeuteration-support-demax-platform

Questions? Get in touch! demax@ess.eu

Deuteration and Macromolecular Crystallisation (DEMAX) at ESS

The ESS DEMAX platform produces deuterated materials such as biomass, proteins, lipids and other small molecules for neutron techniques such as small angle scattering, reflectometry, protein crystallography, spectroscopy, and powder diffraction. DEMAX also supports crystallisation optimisation for large protein crystal growth (protiated and/or perdeuterated) for crystallography.

Scientists can submit proposals for deuterated materials for use in their neutron experiments at other facilities. Access is based upon peer review of proposals and scientific merit and is currently not limited to ESS member countries. The next call for proposals will be advertised at https://deuteration.net. For more information email demax@ess.eu.

DEMAX Publications:

  • F. Kozielski, C. Sele, V. O. Talibov, J. Lou, D. Dong, Q. Wang, X. Shi, M. Nyblom, A. Rogstam, T. Krojer, Z. Fisher, W. Knecht “Identification of fragment binding to SARS-CoV-2 nsp10 reveals ligand binding sites in conserved interfaces between nsp10 and nsp14/16” RSC Chemical Biology (2021) https://doi.org/10.1039/d1cb00135c
  • V. Kelpsas, A. Leung, C. von Wachenfeldt “Evolving Escherichia coli Host Strains for Efficient Deuterium Labeling of Recombinant Proteins Using Sodium Pyruvate- d3” International Journal of Molecular Science 22, 9678 (2021) https://doi.org/10.3390/ijms22189678
  • S. Aggarwal, C. von Wachenfeldt, S.Z. Fisher, E. Oksanen “A protocol for production of perdeuterated OmpF porin for neutron crystallography” Protein Expression & Purification 188, 105954 (2021) https://doi.org/10.1016/j.pep.2021.105954
  • A.U. Mushtaq, J.Ådén, L.A. Clifton, H.Wacklin-Knecht, M. Campana, A.P. G. Dingeldein, C.Persson, T.Sparrman and G. Gröbner, “Neutron reflectometry and NMR spectroscopy of full length Bcl-2 protein reveal its membrane localization and conformation”, Communications Biology  4,507 (2021). https://doi.org/10.1038/s42003-021-02032-1
  • S. Jamali, V. V. Mkhitaryan, H. Malissa, A. Nahlawi, H. Popli, T. Grünbaum, S. Bange, S. Milster, D. M. Stoltzfus, A. E. Leung , T. A. Darwish, P. L. Burn, .J. M. Lupton, C. Boehme “Floquet spin states in OLEDs “ Nature Communications 12, 465 (2021) https://doi.org/10.1038/s41467-020-20148-6
  • J. Larsson, A.E. Leung, C Lang, B. Wu, M. Wahlgren, T. Nylander, S. Ulvenlund, A. Sanchez-Fernandez “Tail unsaturation tailors the thermodynamics and rheology of a self-assembled sugar-based surfactant” Journal of Colloid and Interface Science 585, 178-183 (2021) https://doi.org/10.1016/j.jcis.2020.11.063
  • J. Larsson, A. Sanchez-Fernandez, A.E. Leung, R. Schweins, B. Wu, T. Nylander, S. Ulvenlund, M. Wahlgren “Molecular structure of maltoside surfactants controls micelle formation and rhelogical behaviour” Journal of Colloid and Interface Science 581, 895-904 (2021) https://doi.org/10.1016/j.jcis.2020.08.116
  • T. Cleveland IV, E. Blick, S. Krueger, A. Leung, T. Darwish, P. Butler “Direct localization of detergents and bacteriorhodopsin in the lipidic cubic phase by small-angle neutron scattering” IUCrJ, 8 (2021) doi.org/10.1107/S2052252520013974
  • R. Delhom, A. Nelson, V. Laux, M. Haertlein, W. Knecht, G. Fragneto, H.P. Wacklin-Knecht, “The Antifungal Mechanism of Amphotericin B Elucidated in Ergosterol and Cholesterol-Containing Membranes Using Neutron Reflectometry”, Nanomaterials 10, 2439 (2020) https://doi.org/10.3390/nano10122439
  • J.M.O. Rodriguez, E. Krupinska, H. Wacklin-Knecht, W. Knecht, Preparation of human dihydroorotate dehydrogenase for interaction studies with lipid bilayers, Nucleosides Nucleotides & Nucleic Acids 1-14 (2020) https://doi.org/10.1080/15257770.2019.1708100
  •  A. Luchini, R. Delhom, V. Cristiglio, W. Knecht, H. Wacklin-Knecht, G. Fragneto, Effect of ergosterol on the interlamellar spacing of deuterated yeast phospholipid multilayers, Chemistry and Physics of Lipids, 227, 104873 (2020) https://doi.org/10.1016/j.chemphyslip.2020.104873
  • A. Rogstam, M. Nyblom, S.Christensen, C. Sele, V.O. Talibov, T. Lindvall, A.A. Rasmussen, I. André, S.Z. Fisher, W. Knecht, F. Kozielski, “Structure of Non-Structural Protein 10 from Severe Acute Respiratory Syndrome Coronavirus-2” International Journal of Molecular Sciences 21, 7375 (2020) https://doi.org/10.3390/ijms21197375
  • K. Koruza, A.B. Murray, B.P. Mahon, J.B. Hopkins, W. Knecht, R. McKenna, S.Z. Fisher, “Biophysical Characterization of Cancer-Related Carbonic Anhydrase IX” International Journal of Molecular Sciences 21, 5277 (2020) https://doi.org/10.3390/ijms21155277
  • M.T.B. Clabbers, S.Z. Fisher, M. Coinçon, X. Zou, H. Xu, “Visualizing drug binding interactions using microcrystal electron diffraction” Communications Biology  3, 417 (2020) https://doi.org/10.1038/s42003-020-01155-1
  • M. Budayova-Spano, K. Koruza, S.Z. Fisher, “Large crystal growth for neutron protein crystallography” Methods in Enzymology 634, 21-46 (2020) https://doi.org/10.1016/bs.mie.2019.11.015
  • O. Bogojevic, A.E. Leung, “Enzyme-assisted synthesis of high-purity, chain-deuterated 1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine” ACS Omega 5, 22395-22401 (2020) https://doi.org/10.1021/acsomega.0c0282320
  • A. Sanchez-Fernandez, A.E. Leung, E.G. Kelley, A.J. Jackson “Complex by design: Hydrotrope-induced micellar growth in deep eutectic solvents” Journal of Colloid and Interface Science 581, 292-298 (2020) https://doi.org/10.1016/j.jcis.2020.07.077
  • A. Sanchez-Fernandez, C. Diehl, J.E. Houston, A. Leung, J.P. Tellam, S.E. Rogers, S. Prevost, S. Ulvenlund, H. Sjögren, M. Wahlgren “An integrative toolbox to unlock the structure and dynamics of protein-surfactant complexes” Nanoscale Advances 2, 4011-4023 (2020) doi.org/10.1039/D0NA00194E
  • K. Koruza, B. Lafumat, M. Nyblom, B.P. Mahon, R. McKenna, S.Z. Fisher, ”Structural comparison of protiated, H/D exchanged, and deuterated human carbonic anhydrase IX” Acta Crystallographica D 75, 895-903 (2019) https://doi.org/10.1107/S2059798319010027
  • K., Koruza, B.P. Mahon, M.P. Blakeley, A. Ostermann, T. Schrader, W. Knecht, R. McKenna, S.Z. Fisher, “Using neutron crystallography to elucidate the basis of selective inhibition of carbonic anhydrase by saccharin and a derivative” Journal of Structural Biology 205, 147-154 (2019) https://doi.org/10.1016/j.jsb.2018.12.009 
  • A. Raasakka, S. Ruskamo, R. Barker, O.C. Krokengen, G.H. Vatne, C.K. Kristiansen, E.I. Hallin, M.W.A. Skoda, U. Bergmann, H. Wacklin-Knecht, N.C. Jones, S.V. Hoffmann, P. Kursula, ”Neuropathy-related mutations alter the membrane binding properties of the human myelin protein P0 cytoplasmic tail”, PLoS One 14.  24 (2019) https://doi.org/10.1371/journal.pone.0216833 

The first molecules requested from the ESS DEMAX team have been delivered and utilised in a successful neutron experiment

blog post B-hdm-d31ILL_HDM_d[1]

Beta-hexadecyl maltoside-d31, the surfactant produced at the ESS chemical deuteration lab; and the SANS data it contributed to (collected on the D11 instrument at the ILL).

The ESS DEMAX team held its first pilot call for scientific proposals earlier this year, in order to establish a system that runs smoothly in time for the first science to be performed on ESS instruments. The call offered a range of biologically and chemically deuterated materials as well as support for crystallisation. Nineteen proposals were received, requesting services across the three areas of expertise.

In June and July, the first deuterated molecules were delivered to proposers, and in July, one of these molecules was utilised in a SANS experiment on the D11 instrument at ILL. Johan Larsson, the principle investigator in the work, studies the self-assembly of sugar-based surfactants with applications in the formulations field, including shampoos and cosmetics. In order to tune the properties of the surfactants, he is investigating the use of combinations of sugar-based surfactants and other surfactant-like components. Using deuterated sugar-based surfactants allowed him to discriminate between the different components in the mixture.

Surfactants such as this one; lipids; monomers and other small molecules were requested from the ESS chemical deuteration during the first proposal call. Part of the significance of chemical deuteration is that it can be used to produce unnatural molecules, and we can introduce deuterium judiciously into the molecule. This unnatural surfactant molecule can be produced at ESS, with deuterium located at very specific locations – those which are required for the SANS experiment.

The ‘NET widens

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The DEUNET is growing! Our most recent meeting was held in Lund last week and included several new members. The Lund Protein Production Platform have joined the DEUNET, and biological deuteration and crystallisation at ESS has joined chemical deuteration in the network. Larodan AB also joined their first DEUNET meeting, and we were very fortunate to have Professor Hironao Sajiki from Gifu Pharmaceutical University, Japan, present some of his recent work in the field of deuteration chemistry.

The member labs provided updates and several possible collaborative projects were identified. We are, as always, grateful to the DEUNET advisory panel for travelling to the meeting and providing valuable advice. The DEUNET advisory panel consists of both deuteration facility members (Peter Holden from ANSTO, and Trevor Forsyth from ILL), and neutron users (Karen Edler, Jian Lu and Thomas Hellweg).

DEMAX’s first call for proposals a great succESS

The ESS DEMAX platform recently published its first call for proposals for deuteration and crystallisation support. Nineteen proposals were received, covering chemical deuteration, biological deuteration and crystallisation. The review process is underway and results will be communicated by the end of May. Thanks to all those neutron experimenters who submitted proposals!

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BrightnESS²: Enabling Further Collaboration Between Deuteration Partners

BrightnESS² is a three-year, EU-funded project within the European Commission’s Horizon 2020 Research and Innovation programme which focuses on the long-term sustainability of ESS and neutron scattering in Europe, and to further strengthen the network of facilities for research using neutrons. A total of 15 institutes and universities from Europe and South Africa are participants within the project.

As part of BrightnESS² the Deuteration Facility at the SFTC (UK) and the ESS Chemical Deuteration Laboratory (SE) are collaborating on the synthesis of structured deuterated phospholipids. At the moment, a limited number of deuterated, mixed acyl phospholipids (Figure 1) are available, and those that are available and prohibitively expensive for many neutron users and experiments.

 

general mixed acyl phospholipid.jpg
Mixed acyl phosphocholine lipids, where R1 and Rare different acyl tails.

The STFC Deuteration Laboratory has a wealth of experience in the synthesis of homo-acyl phospholipids and an active user community which continuously requests new phospholipid analogues for neutron experiments. The ESS Chemical Deuteration Laboratory is researching the application of enzymatic catalysis to the synthesis of deuterated molecules. Together, the facilities are working together to establish a new, modular method for the synthesis of tail-deuterated, mixed-acyl phospholipids, using enzymes to allow the regiospecific substitution of tails at the 1- and 2-positions. The modularity of the approach should mean that a large number of molecules can be accessed. The first target molecules are 1-palmitoyl-d31-2-oleoyl-d33-sn-3-phosphocholine (POPC-d64, Figure 2a) and 1-palmitoyl-d31-2-(9-oxononanoyl)-sn-3-phosphocholine (PoxnoPC-d31, Figure 2b).

POPC and PoxnoPC
2a) POPC-d64d31.

Now Open: First ESS Call for Deuteration and Crystallisation Support

Onyx Robot

The Deuteration and Macromolecular Crystallisation (DEMAX) Platform at ESS has opened its first call for proposals. DEMAX offers three pillars of support: biological deuteration (e.g. cell paste, soluble proteins, lipids, membranes), chemical deuteration (e.g. small organic molecules, surfactants, phospholipids) and crystallisation (biological macromolecules e.g. proteins).

At this time, DEMAX offers the following kinds of deuterated materials and services:

Total yeast-derived lipids
Tail-deuterated lipids
Saturated fatty acids/alcohols/halides/thiols
Oleic acid
Surfactants (e.g. sugar, amino acid)
Lactic acid
Bacterial cell pastes
Recombinant proteins
Support for large protein crystal growth (incl. sitting drop vapour diffusion, dialysis, batch, optimisation, targeted screening, testing with X-rays)

For this call, access is not limited to ESS member countries, and is free of charge. The deadline for proposal submissions is 5th April 2019. Find more information here: https://europeanspallationsource.se/node/244384

Questions? Contact the DEMAX team at demax@esss.se