Article
Chemistry, Multidisciplinary
Anne Martel, Cristina Cocho, Francesca Caporaletti, Mark Jacques, Abdelali El Aazzouzi, Franck Lapeyre, Lionel Porcar
Summary: This article describes the current state of the upgraded in situ size-exclusion chromatography (SEC) system implemented with the D22 small-angle neutron scattering (SANS) instrument at the Institut Laue-Langevin. Since its initial proof of principle in 2016, the SEC-SANS arrangement has been continuously requested by the user community, leading to the design of an upgraded version. A detailed description of the setup and its control is provided, along with a few examples of protein structural investigations, highlighting the various possibilities and limitations of the setup to optimize experimental success.
JOURNAL OF APPLIED CRYSTALLOGRAPHY
(2023)
Article
Chemistry, Multidisciplinary
Andreas Josef Schmid, Lars Wiehemeier, Sebastian Jaksch, Harald Schneider, Arno Hiess, Torsten Bogershausen, Tobias Widmann, Julija Reitenbach, Lucas P. Kreuzer, Matthias Kuehnhammer, Oliver Lohmann, Georg Brandl, Henrich Frielinghaus, Peter Mueller-Buschbaum, Regine von Klitzing, Thomas Hellweg
Summary: In order to exploit the potential of the new European Spallation Source in Lund, researchers have developed plug and play sample environments for different soft matter samples using a general carrier platform and unified connectors for software integration and control. This allows for reduced downtimes of instruments related to changing sample environments.
APPLIED SCIENCES-BASEL
(2021)
Article
Chemistry, Physical
Dominika Zakutna, Kevin Graef, Dominique Dresen, Lionel Porcar, Dirk Honecker, Sabrina Disch
Summary: The magnetorheological sample environment allows for simultaneous control of magnetic field and shear flow during measurements, enabling the study of structural and magnetic changes in ferrofluids.
COLLOID AND POLYMER SCIENCE
(2021)
Article
Materials Science, Multidisciplinary
Chrysoula Ioannidou, Alfonso Navarro-Lopez, Robert M. Dalgliesh, Arjan Rijkenberg, Xukai Zhang, Bart Kooi, Nico Geerlofs, Catherine Pappas, Jilt Sietsma, Ad A. van Well, S. Erik Offerman
Summary: In this study, in-situ neutron diffraction and small-angle neutron scattering were used for the first time to investigate the phase transformation and precipitation kinetics in three steels with different vanadium and carbon concentrations during isothermal annealing. The results showed that the addition of vanadium and carbon can affect the phase transformation rate and the formation of precipitates.
Article
Chemistry, Multidisciplinary
Ezzeldin Metwalli, Klaus Goetz, Tobias Zech, Christian Baer, Isabel Schuldes, Anne Martel, Lionel Porcar, Tobias Unruh
Summary: A customized portable SAXS instrument has been constructed and tested at the D22 SANS instrument at ILL, with optimized lead shielding arrangement and double energy threshold X-ray detector to suppress high-energy gamma radiation background. The upgraded SAXS instrument allows for improved signal-to-noise ratio data and combined SAXS and SANS measurements, enabling simultaneous fitting of SAXS and SANS data from the same sample volume for unambiguous interpretation of scattering data. Advanced in situ/real time investigations are now possible, revealing time-resolved complementary nanoscale structural information.
APPLIED SCIENCES-BASEL
(2021)
Article
Polymer Science
Margarita Kruteva, Michael Monkenbusch, Juergen Allgaier, Wim Pyckhout-Hintzen, Lionel Porcar, Dieter Richter
Summary: We conducted a systematic investigation on ring-linear blends using small angle neutron scattering, where we varied the ring volume fraction in a long linear matrix or the matrix length at a low ring fraction. We observed that the ring radius of gyration decreased with increasing ring fraction and approached the value of the ring melt at a volume fraction of φ(R) = 0.5. The fractal dimension, which was close to a Gaussian conformation at low φ(R), decreased to the value of the ring melt. The ring size was found to be independent of the host length, except for very short matrices.
Article
Multidisciplinary Sciences
Boyang Zhou, Urs Gasser, Alberto Fernandez-Nieves
Summary: The behavior of microgels depends on particle concentration, which is different from hard particles. The presence of charged groups on microgels and the associated counterion cloud are responsible for the spontaneous deswelling of microgels in concentrated suspensions. However, there is no direct measurement of this counterion cloud.
NATURE COMMUNICATIONS
(2023)
Article
Materials Science, Composites
Yue Shui, Lizhao Huang, Chengsha Wei, Jie Chen, Lixian Song, Guangai Sun, Ai Lu, Dong Liu
Summary: The study investigates the intrinsic properties of silicone rubber matrix reinforced by filler silica through in situ rheo-small-angle neutron scattering, revealing specific aggregate diameter and thickness. The filler network exhibits stable aggregate size distribution during deformation, with strain primarily leading to aggregate breakdown/reconstruction and rubber matrix deformation. The reinforced rubber matrix may play a dominant role in sustaining external loading with a hardening effect, while filler presents contradictory effects by reinforcing and suffering from agglomerate breakdown and interface weakening.
COMPOSITES COMMUNICATIONS
(2021)
Article
Nuclear Science & Technology
Xing-Fen Jiang, Jian-Rong Zhou, Hong Luo, Liang Xiao, Xiao-Juan Zhou, Hong Xu, Yuan-Guang Xia, Xiao-Guang Wu, Lin Zhu, Wen-Qing Yang, Gui-An Yang, Bei-Ju Guan, Hong-Yu Zhang, Yu-Bin Zhao, Zhi-Jia Sun, Yuan-Bo Chen
Summary: The small-angle neutron scattering instrument at the China Spallation Neutron Source is equipped with a large-area He-3 tube array detector, allowing for the investigation of microscopic and mesoscopic structures of materials. The detector demonstrates high detection efficiency and resolution, providing stable support for numerous scientific programs.
NUCLEAR SCIENCE AND TECHNIQUES
(2022)
Article
Chemistry, Physical
Charl J. Jafta, Sylvain Prevost, Lilin He, Mengya Li, Xiao-Guang Sun, Guang Yang, Ilias Belharouak, Jagjit Nanda
Summary: In-situ and operando measurements were conducted to understand precipitation mechanisms in lithium sulfur batteries. The best method for sulfur infiltration was found to be melt infiltration in a vacuum oven. Solid product formation was observed at both the sulfur cathode and Li counter electrode during charge and discharge.
ENERGY STORAGE MATERIALS
(2021)
Article
Biochemistry & Molecular Biology
Robert C. Miller, Cody Cummings, Qingqiu Huang, Nozomi Ando, Richard E. Gillilan
Summary: This study investigates the use of continuously flowing SEC-SAXS under extreme high-pressure conditions for studying biological structure and function. The results demonstrate that reproducible chromatographic separations coupled directly to high-pressure BioSAXS can be achieved at pressures up to at least 100 MPa, and pressure-induced changes in folding and oligomeric state can be observed.
Article
Materials Science, Multidisciplinary
Changsheng Zhang, Junming Gou, Junjie Yang, Tianyu Ma, Liangwei Sun, Guangai Sun, Qiang Tian, Guanyun Yan, Liang Chen, Pei Zhang, Yi Liu
Summary: This study investigates the underlying mechanism of large magnetostriction in Fe-Ga alloys through in-situ magnetic small-angle neutron scattering (SANS). The results reveal that the reorientation of nanodomains relevant to face-centered-tetragonal L6 0 nanoprecipitates occurs at relatively lower fields than that of the magnetic domains, contributing to the low-field-triggered large magnetostriction. It is also found that the correlation length can be effectively tuned by simple heat-treatment, which enhances the magnetostriction without enlarging the triggering field.
Article
Chemistry, Physical
Tooba Shoaib, Jae-Min Ha, Youngkyu Han, Wei-Ren Chen, Changwoo Do
Summary: The molecular exchange of SDS micelles in aqueous solution was investigated using time-resolved small angle neutron scattering. The results showed that the randomization process of pure h-SDS and d-SDS micelles occurs in two steps, with the kinetics in the second step dominated by the formation of domains rich in specific components.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Chemistry, Multidisciplinary
Victor Martin Galvan Josa, Emmanuel Farhi, Ralf Schweins, Andrew Jackson, Claudia Mondelli
Summary: Chemistry and physics have made significant advances in recent years, leading to the development of complex systems. To understand the structure of these new materials, specific characterization tools are required. Simultaneous small-angle neutron scattering (SANS) and ultra-small-angle neutron scattering (USANS) measurements provide a unique approach to study this complexity. This paper presents the design of a USANS option for SANS instruments, which allows for the study of different complex systems under the same experimental conditions. Simulations show that the multi-beam approach can extend the Q range to lower values.
JOURNAL OF APPLIED CRYSTALLOGRAPHY
(2022)
Article
Chemistry, Physical
Christophe Didier, Elliot P. Gilbert, Jitendra Mata, Vanessa K. Peterson
Summary: This study quantitatively investigates the morphology of lithium metal deposition in batteries using in situ ultra-small and small-angle neutron scattering. The research reveals the complex variations of surface area and interfacial distances influenced by current density and cell cycling history, providing valuable insights into the growth of metallic lithium features detrimental to battery performance. The findings are crucial for the development of safer and high-performance lithium metal batteries.
ADVANCED ENERGY MATERIALS
(2023)
Article
Biochemistry & Molecular Biology
Dominique-Maurice Kehlenbeck, Daouda A. K. Traore, Inokentijs Josts, Simon Sander, Martine Moulin, Michael Haertlein, Sylvain Prevost, V. Trevor Forsyth, Henning Tidow
Summary: Researchers have reconstituted MsbA in saposin A-lipoprotein nanoparticles and determined the structure of ADP-vanadate-bound MsbA using single-particle cryo-electron microscopy, resulting in improved resolution and detailed modeling of nucleotide interactions. This approach may be applicable to other dynamic membrane proteins as well.
Article
Multidisciplinary Sciences
Lukas Gajdos, Matthew P. Blakeley, Michael Haertlein, V. Trevor Forsyth, Juliette M. Devos, Anne Imberty
Summary: The study investigates the interaction mechanism between Pseudomonas aeruginosa lectin and host cells through neutron crystallography, providing insights for designing anti-adhesive compounds against multi-resistance bacterial infections.
NATURE COMMUNICATIONS
(2022)
Article
Biology
Nicolai Tidemand Johansen, Marta Bonaccorsi, Tone Bengtsen, Andreas Haahr Larsen, Frederik Gronbaek Tidemand, Martin Cramer Pedersen, Pie Huda, Jens Berndtsson, Tamim Darwish, Nageshewar Rao Yepuri, Anne Martel, Thomas Gunther Pomorski, Andrea Bertarello, Mark Sansom, Mikaela Rapp, Ramon Crehuet, Tobias Schubeis, Kresten Lindorff-Larsen, Guido Pintacuda, Lise Arleth
Summary: This study investigates the conformation and dynamic behavior of the Mg2+ channel CorA using small-angle neutron scattering, molecular dynamics simulations, and solid-state nuclear magnetic resonance spectroscopy. The researchers find that CorA undergoes conformational equilibria between multiple states and that conducting states become more populated in the absence of Mg2+. These findings are crucial for understanding the functional regulation of CorA.
Article
Biochemistry & Molecular Biology
Waqas Javed, Sylvain Vallet, Marie-Pierre Clement, Aline Le Roy, Martine Moulin, Michael Hartlein, Cecile Breyton, Odile Burlet-Schiltz, Julien Marcoux, Cedric Orelle, Christine Ebel, Anne Martel, Jean-Michel Jault
Summary: This study used small angle neutron scattering and hydrogen/deuterium exchange coupled to mass spectrometry to investigate the conformational states of the BmrA transporter during its ATPase cycle. The researchers found that under specific mutation conditions, the BmrA transporter can be trapped in an ATP-bound inward-facing conformation. Comparing the transition-like state induced by vanadate with the apo state or the presence of ADP/Mg, it was observed that in the post-hydrolytic step, the distances between the two nucleotide-binding domains appeared to be more separated but remained shorter than in the widest opening state found in the related transporter MsbA.
JOURNAL OF MOLECULAR BIOLOGY
(2022)
Article
Microbiology
Jennifer McDonald, Catherine Merrick
Summary: This study compares the process of schizogony in two different human malaria parasite species and highlights the significant differences in nuclear replication gaps and nuclear numbers within cells. These differences are important for understanding the pathogenesis of malaria and for developing interventions to interfere with parasite reproduction.
Article
Cell Biology
Holly Matthews, Jennifer McDonald, Francis Isidore G. Totanes, Catherine J. Merrick
Summary: Malaria parasites enter a phase of sexual reproduction involving gametocytes that rapidly develop into mature gametes for mating. This study used fluorescent labelling to track the process of DNA replication at both whole-cell and single-molecule levels. Several novel observations were made, including the identification of the Orc1 protein in gametocytes, the uncoupling of cytokinesis from DNA replication, and the distinct dynamics of DNA replication compared to asexual schizogony.
CELLULAR MICROBIOLOGY
(2022)
Article
Multidisciplinary Sciences
Franck Dumetz, Anton J. Enright, Jieyu Zhao, Chun Kit Kwok, Catherine J. Merrick
Summary: This study investigates the secondary structures of RNA molecules in the protozoan parasite Plasmodium falciparum, which has a highly biased A/U transcriptome. The researchers used two different chemical probes to probe the structures in vivo and found that they were more stable and had different structural features compared to in silico models. They also compared the RNA structurome of P. falciparum with another species and found differences in overall stability and specific structural elements.
Article
Biochemical Research Methods
Jill Trewhella, Patrice Vachette, Jan Bierma, Clement Blanchet, Emre Brookes, Srinivas Chakravarthy, Leonie Chatzimagas, Thomas E. Cleveland, Nathan Cowieson, Ben Crossett, Anthony P. Duff, Daniel Franke, Frank Gabel, Richard E. Gillilan, Melissa Graewert, Alexander Grishaev, J. Mitchell Guss, Michal Hammel, Jesse Hopkins, Qingqui Huang, Jochen S. Hub, Greg L. Hura, Thomas C. Irving, Cy Michael Jeffries, Cheol Jeong, Nigel Kirby, Susan Krueger, Anne Martel, Tsutomu Matsui, Na Li, Javier Perezt, Lionel Porcar, Thierry Prange, Ivan Rajkovic, Mattia Rocco, Daniel J. Rosenberg, Timothy M. Ryan, Soenke Seifert, Hiroshi Sekiguchi, Dmitri Svergun, Susana Teixeira, Aurelien Thureaut, Thomas M. Weiss, Andrew E. Whitten, Kathleen Wood, Xiaobing Zuo
Summary: By collecting SAXS and SANS measurements, consensus scattering profiles for proteins were obtained, which were consistent with theoretical predictions. Optimization of sample purification methods and measurement conditions can improve the quality and precision of the data.
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY
(2022)
Article
Biochemistry & Molecular Biology
Sophie Combet, Francoise Bonnete, Stephanie Finet, Alexandre Pozza, Christelle Saade, Anne Martel, Alexandros Koutsioubas, Jean-Jacques Lacapere
Summary: This study deciphers the structure of mouse transfocator protein (TSPO) without ligand in different solvents, revealing that the structure of TSPO is more compact and stable in DPC compared to SDS.
Article
Biophysics
Francesca Caporaletti, Zuzanna Pietras, Vivian Morad, Lars-Goran Martensson, Frank Gabel, Bjorn Wallner, Anne Martel, Maria Sunnerhagen
Summary: In this study, we used small-angle x-ray and neutron scattering techniques to investigate the shape of the protein-DNA complex formed by the MexR transcriptional regulator in Pseudomonas aeruginosa. MexR belongs to the MarR family of proteins that repress the expression of efflux pump proteins by binding to specific DNA sites. Through our experiments, we demonstrate how the combination of neutron and x-ray scattering supports a conformational selection model for MexR binding to its DNA site.
BIOPHYSICAL JOURNAL
(2023)
Article
Multidisciplinary Sciences
Marie Lycksell, Urska Rovsnik, Anton Hanke, Anne Martel, Rebecca J. Howard, Erik Lindahl
Summary: This study characterized the structure and dynamics of DeCLIC using cryo-EM, SANS, and MD simulations, revealing alternative conformations of the NTD and calcium-binding site and expanding the conformational landscape of the pLGIC family. Moreover, it demonstrated the power of combining low-resolution scattering, high-resolution structural, and MD simulation data to elucidate highly conserved interfacial interactions in the pLGIC family.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2022)
Editorial Material
Parasitology
Catherine J. Merrick
Summary: The newly discovered epigenetic mark, histone lactylation, found in humans, is also present in malaria parasites and may have significant roles in the epigenetic regulation of Plasmodium.
TRENDS IN PARASITOLOGY
(2023)
Article
Chemistry, Physical
Maksym Golub, Marcus Moldenhauer, Olga Matsarskaia, Anne Martel, Sergei Grudinin, Dmytro Soloviov, Alexander Kuklin, Eugene G. Maksimov, Thomas Friedrich, Jorg Pieper
Summary: Small-angle neutron scattering combined with size-exclusion chromatography was used to study the solution structures of two variants of the Orange Carotenoid Protein (OCP) and its complex with the Fluorescence Recovery Protein (FRP). The OCP-Delta NTEO variant is fully photoswitchable and preferentially binds echinenone, while the OCP-Delta NTEP variant is mostly nonswitchable and preferentially binds canthaxanthin. The structures of the OCP-FRP complexes reveal significant structural changes in FRP upon complex formation.
JOURNAL OF PHYSICAL CHEMISTRY B
(2023)
Article
Biochemistry & Molecular Biology
Francis Isidore Garcia Totanes, Jonas Gockel, Sarah E. Chapman, Richard Bartfai, Michael A. Boemo, Catherine J. Merrick
Summary: This study investigates DNA replication origin specification and activation in Plasmodium schizogony, finding abundant potential replication origins biased towards areas of higher G/C content. Origin activation is preferentially observed in areas of low transcriptional activity, with replication forks moving fastest through lowly transcribed genes. These findings suggest that P. falciparum has evolved its S-phase to minimize conflicts between transcription and origin firing, which is crucial for efficient and accurate schizogony.
NUCLEIC ACIDS RESEARCH
(2023)
Article
Immunology
James Edwards-Smallbone, Anders L. Jensen, Lydia E. Roberts, Francis Isidore G. Totanes, Sarah R. Hart, Catherine J. Merrick
Summary: A telomere-binding protein GBP2 has been identified in the early-diverging protozoan parasite Plasmodium, which can specifically bind to G-rich telomere repeats in quadruplex form and also bind to G-rich RNA. This protein is a multifunctional DNA/RNA-binding factor in Plasmodium.
FRONTIERS IN CELLULAR AND INFECTION MICROBIOLOGY
(2022)
