Review
Chemistry, Physical
Kun Qian, Randall E. Winans, Tao Li
Summary: Understanding the nanostructures of liquid electrolytes is crucial for enhancing electrochemical energy storage capacities, but the solvation structures and molecular dynamics in electrolytes are difficult to probe. Small-angle X-ray scattering (SAXS) offers unique insights into molecular clusters and ion pairs in electrolytes, with excellent time-resolution for studying molecular dynamics. This review focuses on the microscopic understanding of liquid electrolytes by SAXS and highlights the unique capabilities of X-ray scattering for nanostructure characterization.
ADVANCED ENERGY MATERIALS
(2021)
Article
Chemistry, Multidisciplinary
Ting-Wei Hsu, Ching-Hsun Yang, Chun-Jen Su, Yin-Tzu Huang, Yi-Qi Yeh, Kuei-Fen Liao, Tien-Chang Lin, Orion Shih, Ming-Tao Lee, An-Chung Su, U-Ser Jeng
Summary: The structural features and thermal stability of PEGylated liposomes were characterized using small- and wide-angle X-ray scattering and an asymmetric flow field-flow fractionation (AF4) system. It was found that the addition of cholesterol increased the thickness and size of the liposomes, but this effect saturated at cholesterol concentrations above a 1:5 cholesterol:lipid molar ratio.
JOURNAL OF APPLIED CRYSTALLOGRAPHY
(2023)
Article
Materials Science, Multidisciplinary
Kakeru Obayashi, Kazutaka Kamitani, Chien-Wei Chu, Ryosuke Kawatoko, Chao-Hung Cheng, Atsushi Takahara, Ken Kojio
Summary: The internal structure of polyurethane adhesive undergoes changes during lap shear deformation, with an increase in the spacing of hard segment domains and the merging of tilt angle with the stretching direction. These findings are of great significance for the practical design of adhesives.
ACS APPLIED POLYMER MATERIALS
(2022)
Article
Biochemistry & Molecular Biology
Ish Kumar, Amin Sagar, Kanika Dhiman, Christopher R. Bethel, Andrea M. Hujer, Justin Carifi, Ashish, Robert Bonomo
Summary: Designing new beta-lactamase inhibitors (BLIs) is crucial to combat BL-mediated resistance. Small angle x-ray scattering (SAXS) in combination with molecular modeling can determine dynamic structures of macromolecules in solution and is useful in studying conformational changes in enzyme-inhibitor complexes. Our findings support the importance of exploring conformational changes using SAXS analysis in the design of future BLIs.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)
Review
Biochemistry & Molecular Biology
Ruixin Chen, Yang Song, Zhichun Wang, Hang Ji, Zhongyao Du, Qingwen Ma, Ying Yang, Xingxun Liu, Na Li, Yang Sun
Summary: This article systematically reviews various surfactant-macromolecule interactions and summarizes the principle and application of small-angle X-ray scattering (SAXS) in studying their structure. The SAXS integrative techniques have been widely used in analyzing the complex structure of surfactant-macromolecule interactions.
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
(2023)
Article
Chemistry, Physical
Johanna Schroeder, Rebecca K. Pittkowski, Isaac Martens, Raphael Chattot, Jakub Drnec, Jonathan Quinson, Jacob J. K. Kirkensgaard, Matthias Arenz
Summary: This study presents a combination of operando small- and wide-angle X-ray scattering to investigate the changes in mean particle sizes and phase fractions in fuel cell catalyst layers during accelerated stress tests. The results indicate that the degradation mechanism of the catalyst is classical Ostwald ripening via local diffusion of metal atoms on the support, rather than electrochemical Ostwald ripening. Furthermore, the study shows that the degradation of the catalyst layer is depth-dependent, suggesting the potential for future improvement of catalyst stability through a depth-dependent catalyst design.
Article
Medicine, Research & Experimental
Dileep Urimi, Maja Hellsing, Najet Mahmoudi, Christopher Soderberg, Ronja Widenbring, Lars Gedda, Katarina Edwards, Thorsteinn Loftsson, Nicolaas Schipper
Summary: Lipid nanocapsules (LNCs) with core-shell structure were studied using various techniques, and it was found that drug loading does not alter the overall structure of LNCs. However, the presence of the drug leads to an increase in the thickness of the shell while the core size remains unchanged.
MOLECULAR PHARMACEUTICS
(2022)
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)
Review
Chemistry, Physical
Josefine Eilso Nielsen, Vladimir Rosenov Koynarev, Reidar Lund
Summary: Peptide-lipid interactions are important for drug action and disease mechanisms, and model lipid membranes can provide insights into these interactions. Small-angle scattering techniques like SAXS/SANS have been used to study the effects of peptides on lipid bilayer structures with high resolution. This review summarizes recent advances in understanding complex peptide-lipid membrane interactions using SAXS/SANS methods and model lipid membranes, with a focus on data analysis and extracting quantitative information.
CURRENT OPINION IN COLLOID & INTERFACE SCIENCE
(2023)
Article
Chemistry, Physical
Qi Han, Jack Binns, Jiali Zhai, Xingyu Guo, Timothy M. Ryan, Calum J. Drummond, Tamar L. Greaves
Summary: Solvents play a crucial role in protein instability and aggregation, and the development of quantitative, high throughput methods for evaluating protein aggregation in solvent systems, including viscous solvents, is important.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Chemistry, Analytical
Zhihong Li, Quanjie Jia, Ming Li
Summary: The conceptual design of a simple and powerful beamline for small angle X-ray scattering (SAXS) at the High Energy Photon Source (HEPS) in Beijing, China is described in this contribution. The design utilizes the high energy and low emittance features of the HEPS to simplify the beamline, increase beam flux and stability by omitting a monochromator and a focusing mirror. The pink beam from an in-air planar undulator is deflected by a V-shaped deflector and collimated by a set of three-slits to irradiate the sample, with scattering signals recorded by one or two detectors in a vacuum tube.
INSTRUMENTATION SCIENCE & TECHNOLOGY
(2021)
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
Biochemistry & Molecular Biology
Harald Rennhofer, Janea Kohnke, Jozef Keckes, Johannes Tintner, Christoph Unterweger, Thomas Zinn, Karl Deix, Helga Lichtenegger, Wolfgang Gindl-Altmutter
Summary: The utilization of low-cost carbon black from lignin relies heavily on the materials properties, such as pore structure and inner surfaces, which evolve with heat treatment temperature. The development of pore structure and graphitization increases with heat treatment temperature, leading to a shift in chemistry and bonding nature towards pure graphite. Heat treatment at 1600 degrees C may be sufficient for various applications, reducing production energy consumption while maintaining material properties.
Article
Biochemistry & Molecular Biology
Ying Li, Qike Li, Richard E. Gillilan, Alireza Abbaspourrad
Summary: This study reveals the reversible modulation of protein-protein and protein-chromophore interactions of Cphycocyanin (C-PC) from Spirulina platensis under hydrostatic pressure. The results show that high pressures can disassemble C-PC into monomers or detached subunits, accompanied by protein unfolding. The pressure-induced changes in structure and color can be precisely manipulated and reversed. This knowledge can be used to design new delivery and optical materials.
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
(2023)
Article
Chemistry, Physical
Qi Han, Kate M. Smith, Connie Darmanin, Timothy M. Ryan, Calum J. Drummond, Tamar L. Greaves
Summary: This study investigates the conformational changes of lysozyme in the presence of ionic liquids using a combination of spectroscopic techniques, small angle X-ray scattering, and X-ray crystallography. The results show that the secondary structure of lysozyme remains stable while the tertiary structure, particularly the loop regions, are sensitive to the concentration and type of ionic liquids.
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2021)
Article
Biochemical Research Methods
Chuping Lee, Ellen D. Inutan, Jien Lian Chen, Mutanu M. Mukeku, Steffen M. Weidner, Sarah Trimpin, Chi-Kung Ni
Summary: The MAI matrix 3-NBN can produce intact, highly charged ions of nonvolatile compounds in high-vacuum TOF mass spectrometers with the aid of ablation and/or heating by laser irradiation, showing a different ionization mechanism from typical MALDI matrices. The morphology of 3-NBN:analyte crystals plays a significant role in ion generation in high vacuum.
RAPID COMMUNICATIONS IN MASS SPECTROMETRY
(2021)
Article
Polymer Science
Hans R. Kricheldorf, Steffen M. Weidner
Summary: The research showed that 2,2'-dihydroxybiphenyl is the most successful cocatalyst for bismuth subsalicylate in ring-opening polymerization of l-lactide, and optimization of reaction time and temperature is crucial for achieving high weight average molecular weights. Additionally, some unusual transesterification reactions were discovered, and triphenylphosphine was found to be an effective catalyst poison.
JOURNAL OF APPLIED POLYMER SCIENCE
(2021)
Article
Toxicology
Linn Voss, Elisa Hoche, Valerie Stock, Linda Boehmert, Albert Braeuning, Andreas F. Thuenemann, Holger Sieg
Summary: Iron oxide nanoparticles are receiving increasing attention for their industrial use, but their effects on human cells are still being investigated. This study found that the nanoparticles did not dissolve during gastrointestinal passage, had minor uptake in intestinal cells, and showed varying effects on different cell types. Case-by-case assessment of iron oxide nanoparticles is necessary due to the lack of correlation between particle characteristics and cellular effects.
ARCHIVES OF TOXICOLOGY
(2021)
Article
Chemistry, Physical
Ramona B. J. Ihlenburg, Tobias Mai, Andreas F. Thuenemann, Ruth Baerenwald, Kay Saalwaechter, Joachim Koetz, Andreas Taubert
Summary: Hydrogels with a hierarchical structure were prepared using a new highly water-soluble crosslinker and a sulfobetaine monomer, showing correlations between monomer-to-crosslinker ratio and gel properties. Characterization techniques revealed features of the gels spanning nanometer to sub-millimeter scales, with NMR spectroscopy addressing complications via a novel fitting approach.
JOURNAL OF PHYSICAL CHEMISTRY B
(2021)
Article
Chemistry, Physical
Albert Prause, Anja Hormann, Viviana Cristiglio, Glen J. Smales, Andreas F. Thunemann, Michael Gradzielski, Gerhard H. Findenegg
Summary: The study investigates the behavior of microemulsion droplets in cylindrical pores of SBA-15 via adsorption and small-angle neutron scattering (SANS), revealing the structural arrangement of microemulsion droplets in detail, especially for immobilization applications. Interestingly, microemulsion droplets smaller than the pore size access the pores while retaining their spherical shape, while larger droplets become deformed upon entering and present as elongated rod-like structures.
Article
Instruments & Instrumentation
Brian R. Pauw, Andrew J. Smith, Tim Snow, Olga Shebanova, John P. Sutter, Jan Ilavsky, Daniel Hermida-Merino, Glen J. Smales, Nicholas J. Terrill, Andreas F. Thuenemann, Wim Bras
Summary: The development of the compact Ultra-SAXS module extends the measurable q-range and allows for easy interleaving of measurements. The use of vertical crystal rotation axes simplifies construction at minimal cost to efficiency.
JOURNAL OF SYNCHROTRON RADIATION
(2021)
Article
Chemistry, Multidisciplinary
Rebeca Fortes Martin, Andreas F. Thuenemann, Joerg M. Stockmann, Joerg Radnik, Joachim Koetz
Summary: Surface self-assembly of spherical nanoparticles into hierarchical heterostructures is developing, with template-mediated interactions and the use of specific surfactants playing key roles in forming complex nanostructured films and filament-like networks.
Article
Materials Science, Multidisciplinary
Patrick E. J. Saloga, Tina Rybak, Andreas F. Thuenemann
Summary: In this study, a simple one-pot procedure was reported to obtain aqueous zinc oxide (ZnO) nanoparticle dispersions from ZnO nanoparticles dispersed in cyclohexane. Polysorbate 80 (Tween 80) was used as a phase transfer agent and colloidal stabilizer. The particle sizes could be controlled by adjusting the incubation time of the dispersion.
ADVANCED ENGINEERING MATERIALS
(2022)
Article
Polymer Science
Lucila Navarro, Andreas F. Thuenemann, Daniel Klinger
Summary: Solvent annealing is a versatile method for adjusting the shape and morphology of block copolymer particles. In this study, nonpolar solvents were used to selectively swell polystyrene, resulting in unique asymmetric lamellae structures.
Article
Multidisciplinary Sciences
Jakob B. Wolf, Tomasz M. Stawski, Glen J. Smales, Andreas F. Thuenemann, Franziska Emmerling
Summary: Metal nanoparticles have significant impact in various scientific fields. Silver nanoparticles are particularly interesting due to their antibacterial properties and applications in sensing and catalysis. This study presents an automated approach for synthesizing adjustable nanoparticles using the polyol route, which yields reproducible and tunable colloids.
SCIENTIFIC REPORTS
(2022)
Article
Polymer Science
Jana Hildebrandt, Andreas F. Thuenemann
Summary: Microplastics and nanoplastics are causing pollution in natural environment across the globe, but the exact extent of their hazards remains unclear. While research on microplastics is well advanced, little has been done on nanoplastics due to difficulties in detection. The development of nanoplastics reference materials can help identify and quantify nanoplastics in nature. This study successfully synthesized stable aqueous dispersions of polypropylene nanoparticles without the need for surfactants.
MACROMOLECULAR RAPID COMMUNICATIONS
(2023)
Article
Chemistry, Analytical
Sarah-Luise Abram, Paul Mrkwitschka, Andreas F. Thuenemann, Joerg Radnik, Ines Haeusler, Harald Bresch, Vasile-Dan Hodoroaba, Ute Resch-Genger
Summary: The rational design and increasing industrial use of nanomaterials require accurate characterization of their properties. Therefore, nanoscale reference materials (nanoRMs) are needed to validate characterization methods. This study developed a small iron oxide nanocube nanoRM to complement existing spherical nanoRMs. The nanoRM was characterized using transmission electron microscopy (TEM) and small-angle X-ray scattering (SAXS). The certified size parameters, determined with high precision, can be used for quality control of nanomaterial sizing methods. The production of this new iron oxide nanocube RM is an important achievement for the nanomaterial community, manufacturers, and regulators.
ANALYTICAL CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Jana Hildebrandt, Andreas Taubert, Andreas F. Thuenemann
Summary: We report on the synthesis and characterization of long-term stable gold clusters consisting of approximately 62 gold atoms and with a diameter of 1.15 +/- 0.10 nm. The clusters were successfully synthesized by mixing tetrachloroauric acid with an ionic liquid at specific temperatures. Characterization was performed using various analytical techniques, and a three-stage model was proposed to explain the growth process of the clusters.
Article
Chemistry, Multidisciplinary
Suvrat Chowdhary, Robert Franz Schmidt, Anil Kumar Sahoo, Tiemo Tom Dieck, Thomas Hohmann, Boris Schade, Kerstin Brademann-Jock, Andreas F. Thuenemann, Roland R. Netz, Michael Gradzielski, Beate Koksch
Summary: Advanced peptide-based nanomaterials have great potential in pharmaceutical and biomedical applications. Introducing fluorine into peptides allows for control of their biophysical properties and intermolecular interactions. This study systematically investigates the impact of fluorination on peptide structure and self-assembly by designing amphipathic peptides with different degrees of fluorination. The results demonstrate that fluorination plays a crucial role in peptide fibrillation and hydrogel formation. Molecular simulations provide insights into the role of electrostatically driven intra-chain and inter-chain interactions modulated by side chain fluorination in the self-organization of peptides.
Article
Chemistry, Multidisciplinary
Steffen M. Weidner, Andreas Meyer, Saber Chatti, Hans R. Kricheldorf
Summary: The study showed that annealing at different temperatures significantly influences the crystalline structure and molecular weight of cyclic polylactides, with high temperatures causing thermal degradation and partial conversion of cyclic chains into linear chains.
Article
Polymer Science
Yuanzhang Jiang, Xuyi Wang, Yanting Han, Dakai Gong, Yingchun Gu, Lin Tan
Summary: In this study, FeCl3 and poly(acrylic acid) (PAA) were doped into waterborne polyurethanes (WPUs) to create multifunctional materials with self-healing and antimicrobial properties. WPU/Fe/PAA-5.5, containing 5.5 wt % PAA, exhibited excellent mechanical properties, strong self-healing capabilities, and an impressive antimicrobial rate of over 90%. These supramolecular films were also highly recyclable through hot-pressing.
Article
Polymer Science
Longyu Tian, Min Wang, Guangming Liao, Baoliang Liu, Sujuan Zhang, Yucheng Sun, Zhen Meng, Jintao Zhang, Zaijun Lu
Summary: Two kinds of benzoxazine monomers were synthesized and used to prepare polybenzoxazine anion exchange membranes (AEMs) with quaternary ammonium functionalization. The LQPBZ AEM exhibited better ion conductivity and alkaline stability.
Article
Polymer Science
Claire A. Lemarchand
Summary: This study investigates the shock behavior of three different polymers through molecular dynamics simulations. The results reveal specificities in the shock behavior of polymers, including deviations from the linear relation between shock velocity and particle velocity, as well as differences in shear stress relaxation behind the shock front. It is found that the deviation of the Hugoniot locus is related to the change in the relative contribution of bonding and non-bonding potential energies, while polymers with higher glass transition temperatures exhibit slower shear stress relaxation.
Article
Polymer Science
Zengquan Liu, Xiaochun Yin, He Zhang, Shuo Gao, Qinglin Kuang, Yanhong Feng
Summary: A powder solid-state extension (PSSE) technology was proposed to address the high melt viscosity issue of UHMWPE. By uniaxial extension and sintering in the solid state, a highly self-reinforced material was prepared. X-ray diffraction and scattering techniques were used to study the structural evolution during the PSSE process, and a solid-phase induced transformation model was established.
Article
Polymer Science
Zhike Li, Anyu Luo, Rui Zhou, Xin Li, Haiyan Li
Summary: A novel high temperature resistance IL@SiO2 nanocapsules were successfully prepared and their friction and wear properties in PA6 composites were studied. The addition of IL@SiO2 nanocapsules reduced the friction coefficient and wear rate without affecting the mechanical properties of PA6. The synergy between the IL core and SiO2 wall in the nanocapsules improved the self-lubricating performance of the PA6 composites.
Article
Polymer Science
Xin Liu, Xuhong Guo, Qi Liao
Summary: In this study, an algorithm for accurately estimating viscosity is developed using molecular dynamics simulations and the Green-Kubo formula. This algorithm can be applied to complex systems with long correlations, such as macromolecular and biological simulation systems.
Article
Polymer Science
Hao Pu, Yun-Lei Hou, Jing -Zhou Chen, Dong -Lin Zhao
Summary: The use of modified graphene improves the interfacial adherence of carbon fibers to epoxy resin, resulting in enhanced interfacial and bending properties of CF and matrix in CF/EP composites, as well as increased interlaminar shear strength and flexural strength.
Article
Polymer Science
Wei-Chung Ke, Jin-Wei Lin, Manohar Reddy Busireddy, Yueh-Hsing Lee, Jiun-Tai Chen, Chain-Shu Hsu
Summary: This study introduces a crosslinkable monomer, TAIC, to synthesize three crosslinked polyimide films, which exhibit improved thermal, mechanical, and dielectric properties. The introduction of TAIC enhances the tensile strength, reduces the dielectric constant and dielectric loss, and decreases the coefficient of thermal expansion of the polyimide films.
Article
Polymer Science
Alex Kwasi Kumi, Ruiling Fan, Ye Chen, Yumei Zhang
Summary: The difference in leaching of amylopectin from cellulose/amylopectin/1-butyl-3-methylimidazolium chloride ([Bmim][Cl]) blends during regeneration in water and aqueous ethanol has been studied. Molecular dynamics simulations showed that the dissolution and regeneration mechanisms of amylopectin in [Bmim][Cl] are similar to cellulose in ionic liquids. Water regeneration leads to weak electrostatic interactions, resulting in high leaching of amylopectin. In contrast, ethanol-water interactions enhance electrostatic interactions among amylopectin chains, limiting amylopectin leaching in aqueous ethanol.
Article
Polymer Science
Xi Zeng, Junwei Zhou, Junbiao Peng, Chunsheng Zhang, Danling Wang, Yihu Song, Qiang Zheng
Summary: This study utilizes an oligomer deep eutectic solvent (DES) based on polyethylene glycol to regulate the vulcanization kinetics of rubber. The results show that the DES can accelerate vulcanization at low temperatures without affecting the crosslinking density and Mullins effect.
Article
Polymer Science
Qianqian Yue, Yongfei Peng, Xingjian Liu, Aihua He, Huarong Nie
Summary: The addition of metal deactivators can effectively suppress the aging of TBIR, prolong its lifespan, and have no negative effects on its physical and processing properties. These research findings are of great importance for improving the stability and aging resistance of polymers.
Article
Polymer Science
J. Gomez-Caturla, J. Ivorra-Martinez, R. Tejada-Oliveros, V Moreno, D. Garcia-Garcia, R. Balart
Summary: This work focuses on the development of environmentally friendly PLA formulations by using different esters derived from geraniol as plasticizers. The results show that these esters have good compatibility with PLA, and they can effectively enhance the elongation and plasticity of PLA, reduce its glass transition temperature, and slightly improve its water absorption capabilities.
Article
Polymer Science
Dandan Li, Zhaohui Lu, Zhao Ke, Ke Xu, Fengna Dai, Youhai Yu, Guangtao Qian, Chunhai Chen
Summary: In this study, cross-linked PI aerogel membranes with low dielectric constant and high moisture resistance were prepared by co-polymerization and scraping coating technology. The incorporation of fluorinated blocks and benzimidazole ring structures resulted in novel PI aerogel membranes with fascinating dielectric properties and outstanding moisture resistance.
Article
Polymer Science
Zhaoyang Chu, Qing Zhang, Haihua Luo, Han Zhou, Fapei Zhang, Wei Chen, Wenhua Zhang
Summary: Multi-physical fields solution processing strategy is a universal and facile method for preparing various conjugated polymer films and high-performance devices. In this study, we employed a combined microfluidic flow and ultrasonication strategy (FU) for processing CP solutions, and found a pronounced synergetic effect in promoting the pre-ordering of chains in solution. The conformation order and anisotropy of the solution were revealed through various characterizations. A non-classical nucleation model for polymer crystallization in non-equilibrium solution processing was confirmed. The roles of microfluidic flow and ultrasonication in chain aggregation and crystallization were addressed through multi-physical simulations. Compared to pristine solutions, the FU strategy showed improved solution anisotropy and crystallization kinetics, resulting in higher crystallinity in films and increased mobilities in OFET devices. The FU processing strategy provides a universal approach for regulating chain conformation and aggregation in conjugated polymer solutions.
