Article
Multidisciplinary Sciences
David N. Azulay, Oliver Spaeker, Mnar Ghrayeb, Michaela Wilsch-Brauninger, Ernesto Scoppola, Manfred Burghammer, Ivo Zizak, Luca Bertinetti, Yael Politi, Liraz Chai
Summary: Biofilms are multicellular microbial communities encased in an extracellular matrix, with phenotypic heterogeneity enhancing their survival. The molecular structures, elemental distribution, and possible linkages within biofilms remain unexplored, showcasing the importance of molecular-level heterogeneity in shaping biofilm physiology and development.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2022)
Article
Materials Science, Characterization & Testing
Peng Rao, Jianrong Zeng, Fenggang Bian, Guangfeng Liu, Yiwen Li, Nan Meng
Summary: Investigating the structure of spherulite is important for understanding the polymer crystallization process. The use of WAXS-CT allows for the characterization of the spatial distribution of scattering intensity in Polybutene-1 spherulite, revealing the crystal lamellae orientations and the irregular branching during spherulite growth. The results also show an increase and then decrease in crystallization along the radial direction of the spherulite, indicating molecular segregation and branching during growth.
Article
Chemistry, Physical
Kohei Yamanoi, Satoshi Shibuta, Atsushi Shiro, Masao Noumi, Melvin John F. Empizo, Marilou Cadatal-Raduban, Nobuhiko Sarukura, Keiko Nishikawa, Takeshi Morita
Summary: Fluoropolymers have diverse applications in various industries. Neat fluoropolymers and fluorinated copolymers were synthesized using suspension polymerization method, with an increase in structural disorder observed at a slower rate with higher VdF content in the copolymer. The copolymer with the highest VdF content showed similar crystallinity before and after the stimulus, indicating good thermal stability and microvoid tolerance.
JOURNAL OF SUPERCRITICAL FLUIDS
(2022)
Article
Chemistry, Physical
Hassnain Asgar, Jiaqi Jin, Jan Miller, Ivan Kuzmenko, Greeshma Gadikota
Summary: Materials with similar chemical structures but different morphological organizations exhibit significant differences in thermally induced chemo-morphological evolution. Recent advancements in multi-scale X-ray scattering measurements allow for non-invasive probing of the structural and microstructural evolution of such materials. This study investigates the chemo-morphological evolution of halloysite compared to kaolinite, identifying distinct stages in the structural evolution and showing differences in pore size, wall thickness, and surface area changes between the two materials.
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
(2021)
Article
Chemistry, Multidisciplinary
Adam Czajka, Steven P. Armes
Summary: The study investigated the aqueous emulsion polymerization of TFEMA using persulfate initiation and monitored the particle size evolution using SAXS and DLS. Well-defined spherical latexes were formed under different conditions, with significant differences observed between surfactant-free and SDS formulations. Comparable polymerization kinetics were observed for in situ SAXS experiments and laboratory-scale syntheses.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2021)
Article
Chemistry, Multidisciplinary
Zhong-Peng Lv, Martin Kapuscinski, Gabor Jarvas, Shun Yu, Lennart Bergstrom
Summary: In this study, structural transformations and lattice expansion of oleate-capped iron oxide nanocube superlattices during solvent removal were investigated. The combination of COSMO-RS theory and CFD modeling provided information on solvent composition and polarity during droplet evaporation. It was found that the presence of a sufficient amount of added oleic acid and an increase in polarity as the poor solvent is enriched are both necessary to promote the formation of structurally diverse superlattices with large domain sizes.
Article
Polymer Science
Andre A. Costa, Fabio Gameiro, Artur Potencio, Daniel P. da Silva, Pedro Carreira, Juan Carlos Martinez, Paula Pascoal-Faria, Artur Mateus, Geoffrey R. Mitchell
Summary: This study describes the design and fabrication of an industrial injection moulding system that can be used on the NCD-SWEET small-angle X-ray scattering beamline at ALBA, allowing for the collection of highly useful time-resolved data. The system enables evaluation of material fraction in the mould cavity, identification of the first solidifying material, and study of its variation with injection temperature. The obtained quantitative data will be crucial for optimizing the next generation of injection moulding techniques.
Article
Thermodynamics
Fanggang Zhang, Cong Wang, Weikang Han, Yuncheng Zou, Juan Wang, Sonke Seifert, Randall E. Winans
Summary: The study investigates the impact of Pd(acac)(2) on soot formation and growth, revealing that low concentrations suppress primary soot particles while higher concentrations have varying effects on soot particle size and volume fractions at different flame regions.
PROCEEDINGS OF THE COMBUSTION INSTITUTE
(2021)
Article
Polymer Science
Maria Cristina Righetti, Maria Laura Di Lorenzo, Dario Cavallo, Alejandro J. Muller, Massimo Gazzano
Summary: The structural evolution of poly(butylene succinate) (PBS) crystals was studied using synchrotron wide-angle and small-angle X-ray scattering (WAXS and SAXS) analysis after crystallization at 100 degrees C. Isothermal crystallization of PBS resulted in a single lamellar population. The temperature-dependent WAXS/SAXS analysis revealed the development of an additional crystal population characterized by thicker lamellae upon heating, leading to a dual lamellar population. The derived temperature dependence of the lamellar thickness for the two different crystal populations provided structural information that elucidated the multiple melting behavior of PBS.
Article
Biochemistry & Molecular Biology
Hiroshi Imamura, Shinya Honda
Summary: Antibody aggregation and acid denaturation followed by neutralization of pH contribute to the high cost of therapeutic monoclonal antibody production. Understanding the structural details of acid-denatured antibodies is crucial for antibody engineering. Research has shown that acid-denatured monoclonal antibodies become smaller globules at pH 2 compared to their native structure at pH 7. Small-angle X-ray scattering data indicate conformational changes that can lead to aggregation. The distortion of the Fc region and longer inter-domain correlations are found to initiate acid denaturation and aggregation.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Polymer Science
Hiroyuki Takeno, Ryuki Hashimoto, Yunqiao Lu, Wen-Chuan Hsieh
Summary: This study utilized SAXS/WAXS techniques to investigate the aggregated structures of konjac glucomannan (GM) gels during the freezing-thawing process. The findings revealed that freezing-thawing treatment increased GM crystallization and compressive stress, while the gel network enhanced the inhomogeneity due to ice crystal growth. Additives such as PVA and AFGP suppressed crystallization but did not prevent ice crystal growth and inhomogeneity of the gel network.
Article
Chemistry, Multidisciplinary
Guoxing Liao, Matthew J. Derry, Andrew J. Smith, Steven P. Armes, Oleksandr O. Mykhaylyk
Summary: The kinetics of heterogeneous polymerization can be directly determined using small-angle X-ray scattering (SAXS), allowing for in situ monitoring of polymerization kinetics without relying on supplementary characterization techniques. This approach also enables the determination of local monomer and solvent concentrations within the growing nanoparticles.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Medicine, Research & Experimental
Miguel A. Rodrigues, Olga Matsarskaia, Pedro Rego, Vitor Geraldes, Lauren E. Connor, Iain D. H. Oswald, Michael Sztucki, Evgenyi Shalaev
Summary: This study evaluates the pressure increase during freezing using the phospholipid DPPC as a probe. The results show that freezing leads to a phase transition of DPPC, indicating a freeze-induced pressure increase. The observation of this freeze-induced phase transition can enhance our understanding of the factors that disrupt the structure of lipid-based biopharmaceuticals during freezing and thawing.
MOLECULAR PHARMACEUTICS
(2023)
Article
Engineering, Environmental
Yeonsoo Park, Christos D. Malliakas, Qing Zhou, April Z. Gu, Ludmilla Aristilde
Summary: This study investigated the interaction of physiologically relevant metal cations with polyphosphate complexes in polyphosphate-accumulating organisms (PAOs), revealing that Magnesium (Mg) and Potassium (K) have a significant impact on the stability of the complexes. Molecular dynamics simulations showed that Mg-polyphosphate complexes were the most stable, while K-polyphosphate complexes were the least stable, suggesting a role in polyphosphate bioavailability. This research provides insights into the mechanistic role of metal complexation in the phosphorus cycling traits of PAOs in engineered and natural systems.
ENVIRONMENTAL SCIENCE & TECHNOLOGY
(2021)
Article
Chemistry, Multidisciplinary
Adrian Rodriguez-Palomo, Viviane Lutz-Bueno, Xiaobao Cao, Roland Kadar, Martin Andersson, Marianne Liebi
Summary: The study shows that in regions with high extensional flow, the material is oriented perpendicular to the flow, while in regions with high enough shear rate, the material is oriented in the flow direction. A flow-induced morphological transition from aligned lamellae toward multilamellar vesicles is observed in the lamellar phase with different shear rates.
Article
Chemistry, Multidisciplinary
Neda Iranpour Anaraki, Marianne Liebi, Quy Ong, Clement Blanchet, Anjani K. Maurya, Francesco Stellacci, Stefan Salentinig, Peter Wick, Antonia Neels
Summary: This study investigates the influence of nanoparticles properties on colloidal stability in NaCl and protein solutions, revealing that PEG coating provides high stability for nanoparticles. Different mechanisms are observed for citrate-capped nanoparticles, with proteins attaching to the nanoparticle surfaces. Findings pave the way for designing and synthesizing nanoparticles with controlled behaviors in biomedical applications.
ADVANCED FUNCTIONAL MATERIALS
(2022)
Article
Biochemistry & Molecular Biology
Joao P. L. Guerra, Clement E. Blanchet, Bruno J. C. Vieira, Ana V. Almeida, Joao C. Waerenborgh, Nykola C. Jones, Soren V. Hoffmann, Pedro Tavares, Alice S. Pereira
Summary: DNA-binding proteins (Dps) are nanocages that bind and compact DNA to protect it from oxidative stress. The N-terminal tail extensions are crucial for DNA binding. However, the structure of Dps can be influenced by ionic strength, which may affect its DNA-binding properties.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
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
Rita Del Giudice, Nicolo Paracini, Tomas Laursen, Clement Blanchet, Felix Roosen-Runge, Marite Cardenas
Summary: This study expands the toolkit of lipid and detergent combinations that allow the formation of stable bicelles. Systematic sample characterization using various techniques provides a set of conditions under which bicelles can be successfully formed.
Article
Chemistry, Multidisciplinary
Christian Nweze, Tomke E. Glier, Mika Rerrer, Sarah Scheitz, Yalan Huang, Robert Zierold, Robert Blick, Wolfgang J. Parak, Nils Huse, Michael Ruebhausen
Summary: In this study, the plasmonic gold nanoparticles injecting hot carriers into the topological insulator interface of Bi2Se3 nanoribbons were investigated using resonant Raman spectroscopy. The impact of individual gold particles with different sizes on the topological surface states and the phonon modes were resolved. The findings suggest the possibility of locally controlling the electronic properties of the topological insulator by metal nanoparticles through hot carrier injection.
Article
Biochemistry & Molecular Biology
Joao P. L. Guerra, Clement E. Blanchet, Bruno J. C. Vieira, Joao C. Waerenborgh, Nykola C. Jones, Soren Vronning Hoffmann, Alice S. Pereira, Pedro Tavares
Summary: DNA-binding proteins from starved cells (Dps) are small multifunctional nanocages expressed by prokaryotes as a bacterial defense mechanism. They protect bacterial DNA from damage by binding directly or removing precursors of reactive oxygen species. The conformation of the N-terminal tails of Dps proteins is altered upon metal binding in a reversible and specific manner, indicating a potential regulatory process for their DNA-binding properties through metal binding to their N- and/or C-terminal extensions.
Article
Nanoscience & Nanotechnology
Neda Iranpour Anaraki, Marianne Liebi, Kamran Iranshahi, Clement Blanchet, Peter Wick, Antonia Neels
Summary: The combination of microfluidic approach and SAXS measurements allows for the evaluation of nanoparticle systems in nanomedicine. The study shows that 5nm PEGylated gold nanoparticles can self-assemble into 3D ordered domains in different media and maintain this ordering in the presence of human serum albumin molecules.
ACS APPLIED NANO MATERIALS
(2022)
Article
Chemistry, Multidisciplinary
Amke Nimmrich, Matthijs R. Panman, Oskar Berntsson, Elisa Biasin, Stephan Niebling, Jonas Petersson, Maria Hoernke, Alexander Bjorling, Emil Gustavsson, Tim B. van Driel, Asmus O. Dohn, Mads Laursen, Diana B. Zederkof, Kensuke Tono, Tetsuo Katayama, Shigeki Owada, Martin M. Nielsen, Jan Davidsson, Jens Uhlig, Jochen S. Hub, Kristoffer Haldrup, Sebastian Westenhoff
Summary: In this study, the photodissociation of triiodide in four solvents was investigated using femtosecond time-resolved X-ray solution scattering. The results show the solvent-dependent structural evolution during bond cleavage, rearrangements, solvent-cage escape, and bond reformation.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Multidisciplinary Sciences
Derek C. K. Chan, Inokentijs Josts, Kalinka Koteva, Gerard D. Wright, Henning Tidow, Lori L. Burrows
Summary: The outer membrane of gram-negative bacteria acts as a barrier against antibiotics, limiting their effectiveness. However, certain antimicrobials can exploit iron transporters to cross this barrier. In this study, we found that the transporter protein FoxA in Pseudomonas aeruginosa can transport the xenosiderophore bisucaberin, in addition to the antibiotic thiocillin. By analyzing the crystal structure, we discovered that bisucaberin forms a unique 3:2 siderophore-iron complex. Mutations in a specific extracellular loop of FoxA affected its binding, uptake, and signal transduction abilities for nocardamine, thiocillin, and bisucaberin. These findings highlight the importance of extracellular loops in controlling ligand uptake and have implications for the development of siderophore-antibiotic conjugates.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2023)
Article
Chemistry, Multidisciplinary
Paul Stahl, Sebastian Kollenda, Jonas Sager, Laura Schmidt, Martin A. Schroer, Roland H. Stauber, Matthias Epple, Shirley K. Knauer
Summary: A nanobody (SuN) targeting the disease-relevant protein Survivin is used to track its concentration inside cells but fails to inhibit its biological functions. The coupling of multiple SuN to ultra-small gold nanoparticles (SuN-N) enables intracellular uptake and interference with mitotic progression. This demonstrates the universal applicability of coupling nanobodies to nanosized scaffolds to improve their function and therapeutic applicability.
Article
Biochemical Research Methods
Robin L. Owen, Daniele de Sanctis, Arwen R. Pearson, John H. Beale
Summary: Fixed-target crystallography is widely used in serial crystallography at synchrotron and XFEL sources. However, there is a lack of standardization among the numerous fixed targets available. Therefore, a standardized descriptor is proposed to fully describe fixed targets, allowing easier data collection and exchange between sources.
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY
(2023)
Article
Multidisciplinary Sciences
Melissa A. Graewert, Christoph Wilhelmy, Tijana Bacic, Jens Schumacher, Clement Blanchet, Florian Meier, Roland Drexel, Roland Welz, Bastian Kolb, Kim Bartels, Thomas Nawroth, Thorsten Klein, Dmitri Svergun, Peter Langguth, Heinrich Haas
Summary: This study presents a generic approach to determine size-dependent critical quality attributes in nanoparticulate pharmaceutical products, using a combination of AF4 and SAXS techniques. The method provides valuable information for the study and development of drug formulations.
SCIENTIFIC REPORTS
(2023)
Article
Chemistry, Physical
Tushar Raskar, Stephan Niebling, Juliette M. Devos, Briony A. Yorke, Michael Hartlein, Nils Huse, V. Trevor Forsyth, Tilo Seydel, Arwen R. Pearson
Summary: Incoherent neutron spectroscopy and dynamic light scattering were used to investigate the effect of ligand binding on the diffusion dynamics of Escherichia coli aspartate alpha-decarboxylase (ADC). The results showed that ligand binding affects both the internal diffusion dynamics and the size of higher order oligomers of ADC.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)