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
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)
Article
Polymer Science
Doug Lyu, Ying Lu, Yong-feng Men
Summary: SAXS technique is a significant method for determining the micro-structures of polymeric materials due to its statistical average and nondestructive detecting feature. By interacting with electrons in samples, X-rays form a specific interference pattern and produce a Fourier transformation of electron density distribution, with intensity rather than amplitude recorded due to detection limitations. This technique can provide information on structures and properties of the sample, but model fittings are necessary for obtaining exact structural information.
ACTA POLYMERICA SINICA
(2021)
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
Polymer Science
Sascha A. Wilhelm, Michail Maricanov, Volker Brandt, Frank Katzenberg, Joerg C. Tiller
Summary: Amphiphilic polymer conetworks (APCNs) combine two incompatible properties within one material by featuring two interconnected independently swelling nanophases. Two novel APCN families have been synthesized using hydrophilic and hydrophobic polymers, respectively, and have demonstrated the ability to swell in orthogonal solvents without changing their nanostructure.
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
Chemistry, Physical
Keishi Akada, Soichiro Okubo, Tatsuya Yamada, Kazuya Tokuda, Koji Yamaguchi, Shigeaki Uemura, Takamasa Onoki, Syogo Tejima, Motoyoshi Kobayashi, Jun-ichi Fujita
Summary: A shear thickening fluid, known as shake-gel, made of colloidal dispersions of silica nanoparticles and polyethylene oxide polymers, has shown promise in shock absorption applications. Small-angle X-ray scattering and ultra-small-angle X-ray scattering techniques were used to study the gelation mechanism and revealed the formation of aligned floc structures. This research provides insights for the advanced design of shake-gel materials.
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
(2023)
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
Engineering, Multidisciplinary
Kazunori Ushimaru, Takuma Nakamura, Shoto Fukuoka, Kanae Takahashi, Keita Sakakibara, Maito Koga, Ryota Watanabe, Tomotake Morita, Tokuma Fukuoka
Summary: A lignosulfonate-derived thermoplastic was successfully synthesized through a grafting reaction with a polyethylene glycol derivative. The resulting grafted polymer, LS-g-PEG, exhibited improved thermo-moldability and mechanical properties compared to pure LS and an LS/phenylPEG blend. Small-angle X-ray scattering analysis revealed a nano-scale homogeneous lamellar structure in LS-g-PEG, while the LS/PEG blend showed phase separation. The nano-scale structure of LS-g-PEG contributed to its macroscopic homogeneity, leading to enhanced thermo-moldability and mechanical properties.
COMPOSITES PART B-ENGINEERING
(2023)
Article
Polymer Science
Tao Liao, Xintong Zhao, Xiao Yang, Phil Coates, Ben Whiteside, David Barker, Glen Thompson, Yuqing Lai, Zhiyong Jiang, Yongfeng Men
Summary: The study utilized a customized micro-injection molding apparatus and synchrotron radiation to investigate the structural evolution of high-density polyethylene during injection molding, revealing a two-step behavior in the growth of kebab crystals and the significance for predicting structural formation and modulating morphology of final products.
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
Mechanics
P. Olley, T. Gough, R. Spares, P. D. Coates
Summary: This study develops a 3D simulation to compare the Hierarchical Multi-Mode Molecular Stress Function (HMMSF) model with experimental data, showing a good agreement between the model and the data. An improved boundary condition method is proposed to enhance the match with experimental results. In addition, the parameter setting of the constitutive model is assessed.
JOURNAL OF NON-NEWTONIAN FLUID MECHANICS
(2022)
Article
Chemistry, Physical
Bana Shriky, Najet Mahmoudi, Adrian Kelly, Mohammad Isreb, Tim Gough
Summary: Understanding the structure-property relationships of drug delivery system (DDS) components is crucial for development and prediction of their performance. This study investigates the effects of introducing polyethylene oxide (PEO) homopolymers into Pluronic injectable smart hydrogel formulations and evaluates the gelation process and interactions between the components. The findings provide insights into the drug release mechanism from the DDS.
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
(2022)
Article
Polymer Science
Thomas J. Neal, Robert D. Bradley, Martin W. Murray, Neal S. J. Williams, Simon N. Emmett, Anthony J. Ryan, Sebastian G. Spain, Oleksandr O. Mykhaylyk
Summary: A combination of statistical and triblock copolymer properties is explored to produce stable aqueous polymer dispersions suitable for film formation. Through the synthesis of a series of triblock copolymers and controlling the hydrophilicity of the stabilizer block, the structural characteristics of the copolymers in dissolved, dispersed, and solid states were investigated. Small-angle X-ray scattering and atomic force microscopy revealed different morphologies of the copolymers in solvent and water, which were closely related to the mechanical properties of the cast films.
Article
Chemistry, Applied
Madison A. A. Oehler, Douglas G. G. Hayes, Doris H. H. D'Souza, Manjula Senanayake, Viswanathan Gurumoorthy, Sai Venkatesh Pingali, Hugh M. M. O'Neill, Wim Bras, Volker S. S. Urban
Summary: The study demonstrates that the antimicrobial peptide melittin can be solubilized in an active form in bicontinuous microemulsions. Melittin interacts with the surfactant and affects the structure of the microemulsion. Incorporating melittin enhances the antimicrobial activity of the microemulsion against bacteria.
JOURNAL OF SURFACTANTS AND DETERGENTS
(2023)
Review
Polymer Science
Courtney J. Thompson, Nick Ainger, Pierre Starck, Oleksandr O. Mykhaylyk, Anthony J. Ryan
Summary: The components of a shampoo formulation, including surfactant, deposition polymer, structuring polymer, and viscosity modifiers, play important roles and their interactions influence each other's functions. This review provides a detailed discussion on the fundamental functions of these components and the mechanisms by which they perform their roles. It also examines how these components could hinder or facilitate processes through interaction.
MACROMOLECULAR CHEMISTRY AND PHYSICS
(2023)
Biographical-Item
Materials Science, Composites
Anthony J. Ryan, Phil Coates
PLASTICS RUBBER AND COMPOSITES
(2023)
Article
Chemistry, Multidisciplinary
Daniel T. W. Toolan, Michael P. Weir, Rachel C. Kilbride, John E. Anthony, Neil C. Greenham, Richard H. Friend, Akshay Rao, Oleksandr O. Mykhaylyk, Richard A. L. Jones, Anthony J. Ryan
Summary: Controlling the dispersion of inorganic quantum dots (QDs) in organic semiconductor (OSC) nanocomposite films is crucial for optoelectronic devices. In this study, small changes to the OSC host molecule were found to significantly affect QD dispersibility within the host matrix. While it is common to modify QD surface chemistry to improve dispersibility, blending two different OSCs was shown to be an alternative route for optimizing QD dispersibility, resulting in a fully mixed OSC matrix phase.
Article
Polymer Science
Mingqiu Hu, Xindi Li, William T. Heller, Wim Bras, Javid Rzayev, Thomas P. Russell
Summary: In this study, grazing-incidence small-angle neutron scattering (GISANS) was used to investigate the depth-dependent orientation of self-assembled morphologies of block copolymers. The orientation of the microphase-separated structure differed at the polymer-air and polymer-substrate interfaces, as revealed by GISANS. The conversion of a hydrophobic-hydrophobic block copolymer to a hydrophilic-hydrophobic block copolymer significantly increased the segmental interaction parameter and caused microphase separation of the copolymers.
Article
Polymer Science
Zhan Chen, Christian Steinmetz, Mingqiu Hu, E. Bryan Coughlin, Hanyu Wang, William T. Heller, Wim Bras, Thomas P. Russell
Summary: The study demonstrates that star block copolymers (s-BCPs) can accumulate at the interface between two immiscible homopolymers and promote adhesion. The molecular weight and number of s-BCPs at the interface affect the width and morphology of the interface. Lower molecular weight s-BCPs generate wider interfaces, while higher molecular weight s-BCPs inhibit phase separation. Additionally, s-BCPs are more efficient in promoting adhesion compared to linear block copolymers.
Article
Polymer Science
Quan H. Tran, Eliza K. Neidhart, Sergei S. Sheiko, Wim Bras, Frank A. Leibfarth
Summary: Chemical upcycling of plastic waste into high-value ionomers has been achieved through amidyl radical-mediated C-H functionalization, enabling the incorporation of ionizable functionality onto various polyolefin substrates. The resulting materials exhibit enhanced melt strength and tensile toughness, contributing to a more sustainable plastic economy.
Article
Polymer Science
Derek B. Dwyer, Evan R. Glaser, Christopher A. Klug, Sara Isbill, Jong K. Keum, Wim Bras, Jennifer L. Niedziela, Andrew J. Miskowiec
Summary: This study investigates the fluorescence spectra of BPF epoxy resin and identifies two emission peaks, one from the BPF epoxy monomer and the other from an aggregate structure. The aggregate structure is determined to be an H-aggregate based on experimental and theoretical calculations. Thermal exposure causes changes in the aggregate structure, allowing the fluorescence signal to serve as an indicator of polymer network rearrangement.
Article
Materials Science, Multidisciplinary
Derek B. B. Dwyer, Sara Isbill, Zachary E. E. Brubaker, Jong K. K. Keum, Wim Bras, Jennifer L. L. Niedziela
Summary: Thermal exposure permanently alters the polymer network structure of epoxy thermosets, including the hardener-to-hardener molecular distance, π-π stacking of aromatic rings, and carbon-carbon distance in the polymer. Density functional theory and wide-angle X-ray scattering provide insights into the nature of the network structure. These structural changes can be detected using Fourier transform infrared spectroscopy and Raman spectroscopy, with the hardener-to-hardener distance exhibiting the largest variations at the aromatic and ether frequencies.
ACS APPLIED POLYMER MATERIALS
(2023)
Article
Nanoscience & Nanotechnology
Hadi Rahmaninejad, Andrew J. Parnell, Wei-Liang Chen, Nilay Duzen, Thomas Sexton, Gary Dunderdale, John F. Ankner, Wim Bras, Christopher K. Ober, Anthony J. Ryan, Rana Ashkar
Summary: This study investigates the gating response of nanochannels to variations in solution pH and ionic strength using selective sidewall functionalization with a polyelectrolyte brush. The conformational and structural changes of the brush layer within the channels are characterized using specular and off-specular neutron reflectometry. The results demonstrate that the brush state collapses under basic pH, representing an open gate, and expands upon decreasing pH and salt concentration, representing a partially closed gate.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Materials Science, Multidisciplinary
Xiao Hu, Runan Zhang, Alan M. Wemyss, Mohamed A. Elbanna, Ellen L. Heeley, Mustafa Arafa, Chris Bowen, Shifeng Wang, Xueyu Geng, Chaoying Wan
Summary: In this study, various nucleophile reagents were introduced into brominated poly(isobutylene-co-isoprene) rubber, forming ionic aggregates as physical crosslinks. These ionic aggregates improved the mechanical and self-healing properties of the elastomers, leading to enhanced energy conversion efficiencies.
MATERIALS ADVANCES
(2022)
Article
Chemistry, Multidisciplinary
Xiaomin Tang, Changhao Liu, Jong Keum, Jihua Chen, Brent E Dial, Yangyang Wang, Wan-Yu Tsai, Wim Bras, Tomonori Saito, Christopher C. Bowland, X. Chelsea Chen
Summary: This study evaluates the effects of three commercial ethylene copolymer compatibilizers on the recycling of PET and HDPE, and discovers a method to predict the location of compatibilizer molecules. This knowledge is significant for improving the recycling efficiency of plastic waste.
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.
