9,505 results on '"SMALL-angle scattering"'
Search Results
2. Biliquid oil-in-water nanofoams and spontaneous emulsification obtained with a surfactant resistant to curvature changes
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Denk, Patrick, Reigl, Selina, Rödig, Bastian, Sztucki, Michael, Prévost, Sylvain, Zemb, Thomas, and Kunz, Werner
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- 2025
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3. Spontaneous formation of small and ultrasmall unilamellar vesicles in mixtures of drug surfactant and phospholipid: Effect of chemical structure of phospholipid tails on vesicle size
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Forooqi Motlaq, Vahid, Gedda, Lars, Edwards, Katarina, Doutch, James, and Bergström, L. Magnus
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- 2025
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4. Polyelectrolyte-protein synergism: pH-responsive polyelectrolyte/insulin complexes as versatile carriers for targeted protein and drug delivery
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Murmiliuk, Anastasiia, Iwase, Hiroki, Kang, Jia-Jhen, Mohanakumar, Shilpa, Appavou, Marie-Sousai, Wood, Kathleen, Almásy, László, Len, Adél, Schwärzer, Kuno, Allgaier, Jürgen, Dulle, Martin, Gensch, Thomas, Förster, Beate, Ito, Kanae, Nakagawa, Hiroshi, Wiegand, Simone, Förster, Stephan, and Radulescu, Aurel
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- 2024
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5. Heterogeneous dynamics in aging phosphate-based geopolymer.
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Viani, Alberto, Bernasconi, Davide, Zárybnická, Lucie, Zontone, Federico, Pavese, Alessandro, and Dallari, Francesco
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LIGHT beating spectroscopy , *SMALL-angle scattering , *DYNAMIC viscosity , *POLYMER networks , *HETEROGENEITY , *X-rays - Abstract
The time-evolution of dynamics as well as microstructure and mechanical response of phosphate-based geopolymers was probed using x-ray photon correlation spectroscopy and rheological tests. The analyzed relaxation processes in the freshly prepared geopolymer mixes evidenced a q-independent mode of the autocorrelation function, ascribed to density fluctuations of the already established molecular network, undergoing reconfiguration without significant mass transport. Upon curing, the detected motions are localized and depict a system evolving toward structural arrest dominated by slower hyperdiffusive dynamics, characterized by a compressed exponential regime, pointing to a structural relaxation process subjected to internal stresses, in a context of marked dynamical and structural heterogeneity. The system ages through a "densification" process producing declining small angle scattered intensity, as two finely intermixed gel-like reaction products, namely, one hydrated aluminophosphate and one hydrated silica, form a percolated network possessing surface fractal scaling of progressively shorter average correlation length. In this scenario, the nominal Al/P molar ratio of the mix, being an index of network-forming ability, is positively correlated with the dynamic viscosity and the overall kinetics, whereas the contrary occurs for the fraction of water. [ABSTRACT FROM AUTHOR]
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- 2025
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6. Methods to maximize detector count rates on small-angle neutron scattering diffractometers at reactor sources: I. Optimizing wavelength selection
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Barker, J.G. and Cook, J.C.
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- 2024
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7. Detecting underscreening and generalized Kirkwood transitions in aqueous electrolytes.
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Dinpajooh, Mohammadhasan, Biasin, Elisa, Nienhuis, Emily T., Mergelsberg, Sebastian T., Benmore, Chris J., Schenter, Gregory K., Fulton, John L., Kathmann, Shawn M., and Mundy, Christopher J.
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AQUEOUS electrolytes , *ELECTROLYTE solutions , *SMALL-angle scattering , *IONIC strength , *ELECTROLYTES - Abstract
We establish the connection between the measured small angle x-ray scattering signal and the charge–charge correlations underlying Kirkwood transitions (KTs) in 1:1, 2:1, and 3:1 aqueous electrolytes. These measurements allow us to obtain underscreening lengths for bulk electrolytes independently verified by theory and simulations. Furthermore, we generalize the concept of KTs beyond those theoretically predicted for 1:1 electrolytes, which involves the inverse screening length, a0, and the inverse periodicity length, Q0. Above the KTs, we find a universal scaling of a 0 ∝ c − ζ / 3 and Q0 ∝ c1/3 for the studied electrolyte solutions, where ζ is the ionic strength factor. [ABSTRACT FROM AUTHOR]
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- 2024
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8. Uncertainty quantification on small angle x-ray scattering measurement using Bayesian deep learning.
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Yang, Hairui, Wu, Zhaolong, Zhang, Kezhong, Wang, Dawei, and Yu, Hong
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MARKOV chain Monte Carlo , *SMALL-angle scattering , *DEEP learning , *INVERSE problems , *MANUFACTURING processes - Abstract
Small angle x-ray scattering (SAXS) is a widely recognized solution for measuring complex nanostructures. With the increasing demand for accurately assessing structural characteristics and optimizing manufacturing processes, uncertainty quantification in SAXS inverse problems has become a critical issue. However, traditional methods face challenges such as slow computation speed and inaccurate estimation of multidimensional parameters. To overcome these issues, we propose an uncertainty quantification approach suitable for SAXS measurement that approximates the posterior using Bayesian deep learning. The effectiveness and reliability of our method are illustrated by assessing structural parameters of synthetic 2D Si grating samples. The uncertainty quantification takes only about 2.3 s, thousands of times faster than the conventional Markov Chain Monte Carlo (MCMC) methods. Also, our method has superior repeatability for parameter measurement compared to the MCMC approaches. It provides the potential of efficient and reliable SAXS measurement in increasingly intricate semiconductor manufacturing. [ABSTRACT FROM AUTHOR]
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- 2024
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9. Heterogeneous microstructure of γ-irradiated pre-oxidized PAN fiber revealed by microfocus SR-SAXS reconstruction and molecular simulation.
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Li, Tianyu, Shao, Ruiqi, Shi, Haiting, Liu, Shengkai, Tian, Feng, Zeng, Jianrong, Xu, Zhiwei, and Bian, Fenggang
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POLYACRYLONITRILES , *SMALL-angle scattering , *SYNCHROTRON radiation , *MANUFACTURING processes , *SURFACE structure - Abstract
The microstructure plays a crucial role in the manufacturing and application of polyacrylonitrile fibers, which serve as precursors for carbon fibers. Synchrotron radiation small angle x-ray scattering (SR-SAXS) is a non-destructive and precise technique for analyzing fiber structures. This study employed one-dimensional SR-SAXS mapping to extract key structural parameters such as periodicity, lamellae thickness, and the extent of amorphous regions, as well as the directional orientation in γ-irradiated, pre-oxidized polyacrylonitrile fibers. The analysis revealed a three-layered structure comprising a surface skin, a transitional layer, and a central core. Notably, the lamellar thickness exhibits a "U"-shaped distribution, while the long-period structures, amorphous regions, and orientational properties demonstrate a "wave-like" pattern. Within this structure, the skin exhibits a higher level of orientation, with the orientation decreasing progressively from the skin toward the core layer. The structure of the layered crystal was further corroborated by the morphological analysis. In addition, molecular simulations were performed to propose the mechanisms underlying the formation of this layered structure. This comprehensive investigation using SR-SAXS and one-dimensional mapping provides detailed insights into the microstructural and morphological characteristics of polyacrylonitrile fibers, which can inform future advancements in material processing and refinement techniques for the production of advanced fibers. [ABSTRACT FROM AUTHOR]
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- 2024
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10. Complex profile metrology via physical symmetry enhanced small angle x-ray scattering.
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Wang, Dawei, Liang, Hongtao, Yang, Hairui, and Yu, Hong
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SMALL-angle scattering , *X-ray scattering , *SMALL-angle X-ray scattering , *METROLOGY , *SYMMETRY , *SEMICONDUCTOR devices , *INVERSE problems - Abstract
Small angle x-ray scattering (SAXS) stands out as a promising solution in semiconductor metrology. The critical issue of SAXS metrology is to solve the SAXS inverse problem. With the increasing complexity of semiconductor devices, traditional strategies will face problems such as long iteration time and multiple solutions. To address these challenges, we develop a physical symmetry enhanced method to speed up the solution of the SAXS inverse problem for complex nanostructures. We incorporate the physical symmetry into a deep learning model, and a combined loss function is proposed to determine the correct structure in each step of training, which can continuously correct errors and make the model converge faster. The results show that the proposed method achieves high accuracy in determining the critical structural parameters of the complex profile gratings. Compared to traditional strategies, our method performs better in accuracy and does not require time-consuming iterations during reconstruction. The physical symmetry enhanced method provides a feasible way for achieving real-time reconstruction of complex profile nanostructures and is expected to promote the development of SAXS metrology. [ABSTRACT FROM AUTHOR]
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- 2024
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11. Effect of film formation in polypropylene graphene metacomposite.
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Ramasamy, Radha Perumal, Aswal, Vinod Kumar, and Rafailovich, Miriam
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SMALL-angle scattering , *POLYPROPYLENE films , *ELECTRIC conductivity , *PERMITTIVITY , *DIELECTRIC loss - Abstract
In this research the effect of incorporation of graphene to polypropylene and the application of heat and pressure to the nanocomposite is studied using dielectric spectroscopy technique and small angle neutron scattering (SANS). Both pellets and films of the polypropylene graphene nanocomposites were made. Graphene was used as it has high electrical conductivity. It is observed that the dielectric constant, dielectric loss, and conductivity are different for the pellets and the films. Negative dielectric constant behavior is observed for both films and pellets. Fractals are observed in both the pellets and films. This research could benefit battery technology and microelectronics. [ABSTRACT FROM AUTHOR]
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- 2025
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12. Lyotropic liquid crystal phases of monoolein in protic ionic liquids.
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Paporakis, Stefan, Brown, Stuart J., Darmanin, Connie, Seibt, Susanne, Adams, Patrick, Hassett, Michael, Martin, Andrew V., and Greaves, Tamar L.
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LYOTROPIC liquid crystals , *LIQUID crystal states , *MONOOLEIN , *IONIC liquids , *SMALL-angle scattering , *PEPTIDE amphiphiles , *MICROSCOPY - Abstract
Monoolein-based liquid crystal phases are established media that are researched for various biological applications, including drug delivery. While water is the most common solvent for self-assembly, some ionic liquids (ILs) can support lipidic self-assembly. However, currently, there is limited knowledge of IL-lipid phase behavior in ILs. In this study, the lyotropic liquid crystal phase behavior of monoolein was investigated in six protic ILs known to support amphiphile self-assembly, namely ethylammonium nitrate, ethanolammonium nitrate, ethylammonium formate, ethanolammonium formate, ethylammonium acetate, and ethanolammonium acetate. These ILs were selected to identify specific ion effects on monoolein self-assembly, specifically increasing the alkyl chain length of the cation or anion, the presence of a hydroxyl group in the cation, and varying the anion. The lyotropic liquid crystal phases with 20–80 wt. % of monoolein were characterized over a temperature range from 25 to 65 °C using synchrotron small angle x-ray scattering and cross-polarized optical microscopy. These results were used to construct partial phase diagrams of monoolein in each of the six protic ILs, with inverse hexagonal, bicontinuous cubic, and lamellar phases observed. Protic ILs containing the ethylammonium cation led to monoolein forming lamellar and bicontinuous cubic phases, while those containing the ethanolammonium cation formed inverse hexagonal and bicontinuous cubic phases. Protic ILs containing formate and acetate anions favored bicontinuous cubic phases across a broader range of protic IL concentrations than those containing the nitrate anion. [ABSTRACT FROM AUTHOR]
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- 2024
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13. Dense random packing of disks with a power-law size distribution in thermodynamic limit.
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Cherny, Alexander Yu., Anitas, Eugen M., Vladimirov, Artem A., and Osipov, Vladimir A.
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POWER law (Mathematics) , *SMALL-angle scattering , *MOMENTUM transfer , *MULTIFRACTALS , *FACTOR structure , *EXPONENTS - Abstract
The correlation properties of a random system of densely packed disks, obeying a power-law size distribution, are analyzed in reciprocal space in the thermodynamic limit. This limit assumes that the total number of disks increases infinitely, while the mean density of the disk centers and the range of the size distribution are kept constant. We investigate the structure factor dependence on momentum transfer across various number of disks and extrapolate these findings to the thermodynamic limit. The fractal power-law decay of the structure factor is recovered in reciprocal space within the fractal range, which corresponds to the range of the size distribution in real space. The fractal exponent coincides with the exponent of the power-law size distribution as was shown previously by the authors of the work of Cherny et al. [J. Chem. Phys. 158(4), 044114 (2023)]. The dependence of the structure factor on density is examined. As is found, the power-law exponent remains unchanged but the fractal range shrinks when the packing fraction decreases. Additionally, the finite-size effects are studied at extremely low momenta of the order of the inverse system size. We show that the structure factor is parabolic in this region and calculate the prefactor analytically. The obtained results reveal fractal-like properties of the packing and can be used to analyze small-angle scattering from such systems. [ABSTRACT FROM AUTHOR]
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- 2024
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14. The "gut" corona at the surface of nanoparticles is dependent on exposure to bile salts and phospholipids.
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Kihara, Shinji, Aljabbari, Anas, Bērziņš, Kārlis, Krog, Lasse S., Mota-Santiago, Pablo, Terry, Ann, Kirby, Nigel, Whitten, Andrew E., and Boyd, Ben J.
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LIQUID chromatography-mass spectrometry , *CYTOSKELETAL proteins , *SMALL-angle scattering , *BILE salts , *PROTEIN structure - Abstract
[Display omitted] The formation of a biomolecular corona on nanoparticle surfaces significantly influences their biological behaviour, particularly in drug delivery applications. Despite the prevalence of ingestion of particles (e.g , during oral drug delivery), our understanding of corona formation within the gastrointestinal (GI) tract remains limited, especially for non-protein components. The hypothesis of this work is that the exposure of nanoparticles to bile components will form a "corona" structure and protein corona will represent proteomes different from the original bile fluid. Two major aspects of biomolecular corona formed in GI fluid (hereby termed "gut corona), which ultimately dictate the fate of particle-based carriers, include the composition and the surface structure of nanoparticle-corona complex. The structure and composition of the biomolecular corona formed on model SiO 2 nanoparticles within simulated and extracted bile fluids were determined using small-angle scattering, quantification assays, and liquid chromatography with tandem mass spectrometry (LC-MS/MS) techniques. The formation of raspberry-like structures was identified, with bile micelles adopting ellipsoidal shapes around the nanoparticles, as opposed to a surface covered with a uniform corona (i.e. , core–shell structure). Assay quantification and proteomics experiments revealed a notable increase in the ratio of protein to bile salt within the corona compared to the original bile fluid. The composition of the proteome differed between the bovine bile and the protein corona with only 34 proteins associated with the nanoparticles from the top 100 identified in bovine bile. Despite the differences in protein types identified between bovine bile and gut corona, the proportions of protein between different functional classes, such as enzymes and structural proteins, show little variation. This work elucidates the intricate interactions between nanoparticles and gut molecules, offering insights crucial for designing nanoparticle formulations for optimized oral drug delivery and understanding nanoparticle behaviour within the GI tract. [ABSTRACT FROM AUTHOR]
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- 2025
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15. Easy reversible clustering of gold nanoparticles via pH-Induced assembly of PVP-b-PAA copolymer.
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Yon, Marjorie, Lonetti, Barbara, Gineste, Stéphane, Perez, Javier, Goudouneche, Dominique, Weingarten, Laurent, Marty, Jean-Daniel, and Ciuculescu-Pradines, Diana
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SCANNING transmission electron microscopy , *QUARTZ crystal microbalances , *SMALL-angle scattering , *FIELD emission , *GOLD nanoparticles - Abstract
[Display omitted] The growing demand of novel hybrid organic/inorganic systems with exciting properties has contributed to an increasing need for simplifying production strategies. Here, we report a simple method to obtain controlled three-dimensional hybrid architectures, in particular hybrid supracolloids (hSC), formed by gold nanoparticles and a double hydrophilic block copolymer, specifically the poly(acrylic acid)- block -poly(N -vinyl-2-pyrrolidone) (PAA- b -PVP), directly in aqueous medium. The ubiquitous pH-sensitive poly(acrylic acid) (PAA) block initiates the assembly through pH changes, while the poly(N -vinyl-2-pyrrolidone) block assures the close affinity with the AuNPs. We demonstrate that the formation of hybrid supracolloids (hSC) is the result of the synergetic behavior of the two specific polymeric blocks. Additionally, the entire process shows spontaneous and fast switchability. The nanostructured copolymer behaves like a highly swollen hydrogel and displays a disordered internal structure. The driving force for the association of the copolymer chains is induced by the synergetic effects of the decrease in solubility of the poly(acrylic acid) block and the formation of inter and intra chains hydrogen bonds. These were demonstrated by using small angle X-ray scattering (SAXS), quartz crystal microbalance with dissipation monitoring (QCM-D) and scanning transmission electron microscopy coupled with energy-dispersive X-ray spectroscopy (STEM-EDX). In turn, the AuNPs are randomly spread all over the polymeric matrix, as demonstrated by field emission gun – scanning electron microscopy (FEG-SEM). A correlation analysis reveals the hSC density depends mostly on the initial concentration of AuNPs. These results can inspire the fabrication of more complex structures with multicomponent composition. [ABSTRACT FROM AUTHOR]
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- 2025
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16. Potential of the Nano-Encapsulation of Antioxidant Molecules in Wound Healing Applications: An Innovative Strategy to Enhance the Bio-Profile.
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Hallan, Supandeep Singh, Ferrara, Francesca, Cortesi, Rita, and Sguizzato, Maddalena
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DRUG delivery systems , *SMALL-angle scattering , *DRUG carriers , *SKIN absorption , *WOUND healing , *SKIN permeability - Abstract
Naturally available antioxidants offer remarkable medicinal applications in wound healing. However, the encapsulation of these phytoactive moieties into suitable nano-scale drug delivery systems has always been challenging due to their inherent characteristics, such as low molecular weight, poor aqueous solubility, and inadequate skin permeability. Here, we provide a systematic review focusing on the major obstacles hindering the development of various lipid and polymer-based drug transporters to carry these cargos to the targeted site. Additionally, this review covers the possibility of combining the effects of a polymer and a lipid within one system, which could increase the skin permeability threshold. Moreover, the lack of suitable physical characterization techniques and the challenges associated with scaling up the progression of these nano-carriers limit their utility in biomedical applications. In this context, consistent progressive approaches for addressing these shortcomings are introduced, and their prospects are discussed in detail. [ABSTRACT FROM AUTHOR]
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- 2025
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17. 适用于同步辐射小角X射线散射的高压溶液装置及其应用.
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刘广峰, 李怡雯, 张建桥, 宋攀奇, and 李娜
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X-ray scattering ,PROTEIN folding ,HYDROSTATIC pressure ,FOOD science ,SMALL-angle scattering - Abstract
Copyright of Chinese Journal of High Pressure Physics is the property of Chinese Journal of High Pressure Physics Editorial Office and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
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- 2025
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18. Probing the relevance of synergistic lipid membrane disruption to the eye irritation of binary mixed nonionic surfactants.
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Wei, Feng, Qi, Hao, Li, Bin, Cai, Rongsheng, Liao, Mingrui, Li, Peixun, Zhan, Xiaozhi, Zhu, Tao, Xu, Hai, Hu, Xuzhi, Lu, Jian Ren, and Zhou, Feng
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NONIONIC surfactants , *SMALL-angle scattering , *CHEMICAL structure , *CELL membranes , *NEUTRON measurement - Abstract
[Display omitted] Nonionic surfactant aerosols play a crucial role in many industries, but they can cause acute irritation to users' eyes during spraying. This cytotoxic process is associated with corneal cell necrosis causing cell membrane disruption. Industrial grade surfactants are typically polydisperse mixtures described by their nominal chemical structure but how the polydispersity affects their interactions with cell membrane, remains largely unexplored. A better understanding could benefit product formulations to maximise their efficiency whilst minimising their toxicity to the users. In this study, poly - oxyethylene glycol monododecyl ethers (C 12 E 4 , C 12 E 23) were used to form ideal binary surfactant mixtures. The cytotoxicities of mono and polydispersed surfactants towards human corneal epithelial cells were examined, followed by a series of biophysical characterisations of interactions between surfactants and model cell membranes. Notably, to probe the journey of individual C 12 E 4 and C 12 E 23 surfactant molecules across the cell membrane from a binary surfactant mixture, "two-colour" neutron reflection measurements were achieved via Hydrogen/Deuterium substitution. The relative distributions of C 12 E 4 and C 12 E 23 across cell membranes and their nanostructural conformations revealed a synergistic membrane-lytic ability initiated by surfactant mixing, with the more hydrophobic C 12 E 4 exhibiting stronger membrane binding potency than the hydrophilic C 12 E 23. The exact molar ratio of C 12 E 4 against C 12 E 23 in the mixture determined how the mixed surfactant interacted with the cell membrane, and how the process directly impacted cytotoxicity and eye irritation. Thus, the cytotoxicity of polydisperse surfactants is not the same as monodisperse surfactant of the same average structure. This work provides a useful basis for the assessment of surfactant mixing by balancing their efficiency and toxicity. [ABSTRACT FROM AUTHOR]
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- 2025
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19. Effect of macromolecular structure modification of kapok fibers by silane treatment on mechanical properties of their reinforced composites.
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Das, Ramyaranjan, Dash, Chinmayee, Upreti, Divyansh, Patro, T. Umasankar, Altomare, Angela, and Bisoyi, Dillip Kumar
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SILANE coupling agents ,SMALL-angle scattering ,FOURIER transform infrared spectroscopy ,POLYMER structure ,IMPACT strength - Abstract
The present study investigates the usability of lignocellulosic kapok fibers as a reinforcement for lightweight composites. Kapok fibers are modified by dewaxing followed by a silane coupling agent at different concentrations. The crystallographic structure and the alignment of silane linkage polymer chains on fiber structure are examined using X‐ray Diffraction (XRD). The linkage of chemical bonds (SiOC And SiOSi) between the polymer structure of the fiber and silane coupling agent is confirmed from FTIR spectroscopy. Additionally, the small angle X‐ray scattering (SAXS) study is done considering kapok fiber as a nonideal two‐phase system and the study investigates the modification occurring within the macromolecular structure of the kapok fiber. Following the grafting of silanes onto the fiber, silane‐modified kapok fiber‐reinforced epoxy composites are fabricated using the hand lay‐up technique. The chemical treatments on the fiber, enhanced flexural, tensile and impact strength of the composites by 132%, 102%, and 146% respectively. [ABSTRACT FROM AUTHOR]
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- 2025
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20. Advancing oil-water separation: Design and efficiency of amphiphilic hyperbranched demulsifiers.
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Yan, Shu, Jiang, Pengfei, Zhang, Xinghong, Dai, Yitong, Sun, Bin, Guo, Yongsheng, and Fang, Wenjun
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SMALL-angle scattering , *DEMULSIFICATION , *ADSORPTION kinetics , *PETROLEUM , *CONFOCAL microscopy , *POLYETHYLENEIMINE , *PARTICLE dynamics - Abstract
[Display omitted] • Coarse-grained models of oil-water systems with amphiphilic macromolecule (CHPEI) are developed by dissipative particle dynamics simulation. • CHPEI exhibits various adsorption configurations at phase interface, including lamellar, seaweed-like, and even jellyfish-like structures. • CHPEI maintains demulsification efficiency exceeding 96.7 % under high acid-alkali-salt environments or even after being recycled four times. • Integrating mesoscopic DPD simulations with macroscopic experiments validates the design and effectiveness of advanced demulsifiers. Hypothesis: An innovative strategy for designing high-performance demulsifiers is proposed. It hypothesizes that integrating mesoscopic molecular simulations with macroscopic physicochemical experiments can enhance the understanding and effectiveness of demulsifiers. Specifically, it is suggested that amphiphilic hyperbranched polyethyleneimine (CHPEI) could act as an efficient demulsifier in oil–water systems, with its performance influenced by its adsorption behaviors at the oil–water interface and its ability to disrupt asphaltene-resin aggregates. Experiments: Several coarse-grained models of oil–water systems, with CHPEI, are constructed using dissipative particle dynamics (DPD) simulation. Following the insights gained from the simulations, a series of CHPEI-based demulsifiers are designed and synthesized. Demulsification experiments are conducted on both simulated and crude oil emulsions, with the process monitored using laser scanning confocal microscopy. Additionally, adsorption kinetics and small angle X-ray scattering are employed to reveal the inherent structural characteristics of CHPEI demulsifiers. Findings: CHPEI demonstrates over 96.7 % demulsification efficiency in high acid-alkali-salt systems and maintains its performance even after multiple reuse cycles. The simulations and macroscopic experiments collectively elucidate that the effectiveness of a demulsifier is largely dependent on its molecular weight and the balance of hydrophilic and hydrophobic groups. These factors are crucial in providing sufficient interfacial active functional groups while avoiding adsorption sites for other surfactants. Collaborative efforts between DPD simulation and macroscopic measurements deepen the understanding of how demulsifiers can improve oil–water separation efficiency in emulsion treatment. [ABSTRACT FROM AUTHOR]
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- 2025
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21. Lipidic drug delivery systems are responsive to the human microbiome.
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Caukwell, Jonathan, Assenza, Salvatore, Hassan, Karl A., Neilan, Brett A., Clulow, Andrew J., Salvati Manni, Livia, and Fong, Wye-Khay
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DRUG delivery systems , *SMALL-angle scattering , *HUMAN microbiota , *MEMBRANE lipids , *MONOOLEIN - Abstract
[Display omitted] In vitro and in vivo tests for therapeutic agents are typically conducted in sterile environments, but many target areas for drug delivery are home to thousands of microbial species. Here, we examine the behaviour of lipidic nanomaterials after exposure to representative strains of four bacterial species found in the gastrointestinal tract and skin. Small angle X-ray scattering measurements show that the nanostructure of monoolein cubic and inverse hexagonal phases are transformed, respectively, into inverse hexagonal and inverse micellar cubic phases upon exposure to a strain of live Staphylococcus aureus often present on skin and mucosa. Further investigation demonstrates that enzymatic hydrolysis and cell membrane lipid transfer are both likely responsible for this effect. The structural responses to S. aureus are rapid and significantly reduce the rate of drug release from monoolein-based nanomaterials. These findings are the first to demonstrate how a key species in the live human microbiome can trigger changes in the structure and drug release properties of lipidic nanomaterials. The effect appears to be strain specific, varies from patient to patient and body region to body region, and is anticipated to affect the bioapplication of monoglyceride-based formulations. [ABSTRACT FROM AUTHOR]
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- 2025
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22. Influence of critical micelle concentration of choline-based long chain fatty acid soaps on their antibacterial activity against Methicillin resistant Staphylococcus aureus.
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Arellano, Helena, Swebocki, Tomasz, Le Coeur, Clémence, Prevost, Sylvain, Abdallah, Marwan, Nardello-Rataj, Veronique, and Fameau, Anne-Laure
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CRITICAL micelle concentration , *SMALL-angle scattering , *SURFACE tension measurement , *FATTY acids , *TREATMENT effectiveness , *METHICILLIN-resistant staphylococcus aureus - Abstract
[Display omitted] Antimicrobial resistance (AMR) is a pressing global health concern. ESKAPEE pathogens, such as Methicillin-resistant Staphylococcus aureus (MRSA) are notable of concern in healthcare settings due to their resistance to critical antibiotics. To combat AMR, the development of alternatives such as bacterial membrane-active agents is crucial. Fatty acids (FAs) have emerged as a sustainable, antibiotic-free solution with inherent antibacterial activity. However, long chain saturated fatty acids (LCFAs) sodium soaps exhibit poorly antibacterial properties in comparison to short chain FAs, believed to be linked to limited solubility in aqueous media. We employed choline as a chaotropic organic counter-ion to enhance the solubility of LCFAs and investigated their antibacterial effects against MRSA. The optimal medium conditions for micelle formation for LCFAs was first investigated. Then, we determined the critical micelle concentration (CMC), micellar morphology, and aggregation number through surface tension measurements and small angle neutron scattering experiments. Antimicrobial activity was assessed using minimum bactericidal concentration (MBC) assays and time-kill experiments. We have identified conditions where LCFAs are effective against MRSA for the first time, providing valuable insights for developing new antibacterial agents to fight AMR. LCFAs need to be used above their Krafft temperatures and CMC to exhibit antibacterial efficacy. [ABSTRACT FROM AUTHOR]
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- 2025
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23. Application of scanning small-angle X-ray scattering in the identification of sheet formation techniques in historical papers: Application of scanning Small-Angle X-ray...
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Grzelec, Małgorzata, Haas, Sylvio, and Helman-Ważny, Agnieszka
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SMALL-angle scattering , *FIBER orientation , *PAPERMAKING , *HISTORICAL analysis , *SYNCHROTRONS - Abstract
Among writing substrates produced historically in different regions of the world, paper is one of the most complex materials. Its complexity results not only from a variety of highly processed ingredients, which can be used in its production, but also from a variety of methods in which these materials are combined to form the fibrillar network referred to as paper. While material identification methods are well established in the analysis of historical papers, the identification of manufacturing technologies is still an under-researched topic, that requires the development of appropriate methods and measurement protocols. This paper reports on the results of a research project aimed at the application of synchrotron scanning small angle X-ray scattering (SAXS) method in the characterization of paper structure, with emphasis on the assessment of fibrillar orientation as a marker characteristic for different, historical papermaking technologies. The main objective of this study consists of the development of a measurement protocol involving the SAXS technique complemented by other analytical methods in the characterization of the fibrous paper structure. [ABSTRACT FROM AUTHOR]
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- 2025
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24. Role of Stretching-induced Crystallization on Mesoscale Morphology Transition of UHMWPE during Hot Stretching.
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Huang, Kai, Mo, Jia-Jia, Shi, Wen-Jing, Wang, Shi-Tong, Shi, Hong-Hui, Shao, Chun-Guang, Liu, Chun-Tai, and Chang, Bao-Bao
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SMALL-angle scattering , *CRYSTAL orientation , *X-ray scattering , *MOLECULAR weights , *CRYSTALLINITY - Abstract
In this work, a morphology transition mode is revealed in ultra-high molecular weight polyethylene (UHMWPE) when stretching at 120 °C: moving from the slightly deformed region to the necked region, the morphology transfers from small spherulites to a mixture of transcrystalline and enlarged spherulites, and finally to pure transcrystalline; meanwhile, the lamellae making up the transcrystalline or spherulite were fragmented into smaller ones; spatial scan by wide-angle X-ray scattering (WAXS) and small angle X-ray scattering (SAXS) revealed that the crystallinity is increased from 25.3% to 30.1% and the crystal orientation was enhanced greatly, but the lamellae orientation was quite weak. The rise of enlarged spherulites or a mixture of transcrystalline and spherulites can also be found in UHMWPE stretched at 140 and 148 °C, whereas absent in UHMWPE stretched at 30 °C. In situ WAXS/SAXS measurements suggest that during stretching at 30 °C, the crystallinity is reduced drastically, and a few voids are formed as the size increases from 50 nm to 210 nm; during stretching at 120 °C, the crystallinity is reduced only slightly, and the kinking of lamellae occurs at large Hencky strain; during stretching at 140 and 148 °C, an increase in crystallinity with stretching strain can be found, and the lamellae are also kinked. Taking the microstructure and morphology transition into consideration, a mesoscale morphology transition mode is proposed, in the stretching-induced crystallization the fragmented lamellae can be rearranged into new supra-structures such as spherulite or transcrystalline during hot stretching. [ABSTRACT FROM AUTHOR]
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- 2025
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25. 缠绕张力对 T800 级碳纤维力学性能转化率 的影响.
- Author
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吴俊勇, 顾轶卓, 杨中甲, 刘新宇, 曾慧, 王绍凯, and 李敏
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CARBON fiber testing ,SMALL-angle scattering ,CARBON fibers ,EPOXY resins ,FAILURE mode & effects analysis - Abstract
Copyright of Acta Materiae Compositae Sinica is the property of Acta Materiea Compositae Sinica Editorial Department and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
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- 2025
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26. Multiscale X-ray scattering elucidates activation and deactivation of oxide-derived copper electrocatalysts for CO2 reduction.
- Author
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de Ruiter, J., Benning, V. R. M., Yang, S., den Hartigh, B. J., Wang, H., Prins, P. T., Dorresteijn, J. M., Janssens, J. C. L., Manna, G., Petukhov, A. V., Weckhuysen, B. M., Rabouw, F. T., and van der Stam, W.
- Subjects
PHYSICAL & theoretical chemistry ,SMALL-angle scattering ,CARBON dioxide reduction ,PHASE transitions ,ELECTROLYTIC reduction - Abstract
Electrochemical reduction of carbon dioxide (CO
2 ) into sustainable fuels and base chemicals requires precise control over and understanding of activity, selectivity and stability descriptors of the electrocatalyst under operation. Identification of the active phase under working conditions, but also deactivation factors after prolonged operation, are of the utmost importance to further improve electrocatalysts for electrochemical CO2 conversion. Here, we present a multiscale in situ investigation of activation and deactivation pathways of oxide-derived copper electrocatalysts under CO2 reduction conditions. Using well-defined Cu2 O octahedra and cubes, in situ X-ray scattering experiments track morphological changes at small scattering angles and phase transformations at wide angles, with millisecond to second time resolution and ensemble-scale statistics. We find that undercoordinated active sites promote CO2 reduction products directly after Cu2 O to Cu activation, whereas less active planar surface sites evolve over time. These multiscale insights highlight the dynamic and intimate relationship between electrocatalyst structure, surface-adsorbed molecules, and catalytic performance, and our in situ X-ray scattering methodology serves as an additional tool to elucidate the factors that govern electrocatalyst (de)stabilization. The development of robust materials for electrochemical CO2 conversion requires identification of the activation and deactivation phase after prolonged operation. Here, the authors present a multiscale in situ X-ray scattering methodology to probe the life and death of copper oxide electrocatalysts. [ABSTRACT FROM AUTHOR]- Published
- 2025
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27. Small-angle scattering interferometry with neutron orbital angular momentum states.
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Sarenac, Dusan, Henderson, Melissa E., Ekinci, Huseyin, Clark, Charles W., Cory, David G., DeBeer-Schmitt, Lisa, Huber, Michael G., Lailey, Owen, White, Jonathan S., Zhernenkov, Kirill, and Pushin, Dmitry A.
- Subjects
SMALL-angle neutron scattering ,ANGULAR momentum (Mechanics) ,SMALL-angle scattering ,PHYSICAL sciences ,DEGREES of freedom - Abstract
Methods to prepare and characterize neutron helical waves carrying orbital angular momentum (OAM) were recently demonstrated at small-angle neutron scattering (SANS) facilities. These methods enable access to the neutron orbital degree of freedom which provides new avenues of exploration in fundamental science experiments as well as in material characterization applications. However, it remains a challenge to recover phase profiles from SANS measurements. We introduce and demonstrate a novel neutron interferometry technique for extracting phase information that is typically lost in SANS measurements. An array of reference beams, with complementary structured phase profiles, are put into a coherent superposition with the array of object beams, thereby manifesting the phase information in the far-field intensity profile. We demonstrate this by resolving petal-structure signatures of helical wave interference for the first time: an implementation of the long-sought recovery of phase information from small-angle scattering measurements. Introduction of structured neutron waves carrying orbital angular momentum (OAM) in small-angle neutron scattering experiments provides novel approaches to the characterisation of material properties. Here the authors demonstrate the retrieval of phase information in far-field intensity profiles by means of an interferometric technique using helical neutron waves. [ABSTRACT FROM AUTHOR]
- Published
- 2024
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28. Two mixed-valent cerium oxo clusters: synthesis, structure, and self-assembly.
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Gao, Yuan, Zhang, Yang, Han, Zhe, Wang, Chunhui, Zhang, Lei, and Qiu, Jie
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X-ray photoelectron spectra , *SMALL-angle scattering , *OXIDATION states , *CERIUM , *PROTON transfer reactions - Abstract
Studies on cerium oxo clusters (CeOCs) are not only significant for understanding the redox and hydrolysis behaviors of Ce(III/IV) ions but also crucial for the rational synthesis of novel clusters and nanoceria with specific Ce(III)/Ce(IV) ratios. Here, two sets of reactions were conducted using cerium nitrate and H2O2-oxidized cerium nitrate, resulting in the formation of two distinct mixed-valent CeOCs [CeIII4CeIV10O14(OH)2(PhCO2)22(DMF)6] (Ce14) and [CeIII2CeIV22O28(OH)8(PhCO2)30(DMF)4] (Ce24C). These two clusters exhibit different structures and Ce(III)/Ce(IV) ratios, demonstrating the critical role of cerium oxidation states and the occurrence of redox reactions in cluster formation. Ce14 is the first tetradecanuclear CeOC with a novel structure, whereas Ce24C differed in its Ce(III)/Ce(IV) ratio, protonation levels of O atoms, and ligands from previously reported 24-nuclear CeOCs. Furthermore, various techniques were employed to investigate the formation process of these two clusters. X-ray photoelectron spectra (XPS) revealed that the white precipitates formed during the preparation of Ce14 contain Ce(III) ions, while the reddish-brown precipitates formed during the preparation of Ce24C contain a mixture of Ce(III) and Ce(IV) ions. These two precipitations were individually dissolved in N,N-Dimethylformamide (DMF). The evolution of solution color and ultraviolet-visible (UV-Vis) spectra over time revealed the gradual oxidation of partial Ce(III) ions by oxygen in the solution of the white precipitation. As Ce(IV) ions increased in this solution, time-resolved small angle X-ray scattering (SAXS) data demonstrated the self-assembly of the Ce14 clusters after 4 days. In contrast, SAXS data and UV-Vis spectra revealed the rapid assembly of Ce24C clusters within 2 h due to the initial coexistence of Ce(IV) and Ce(III) ions in the DMF solution of the reddish-brown precipitation. The continued reduction of partial Ce(IV) ions in this solution does not affect Ce24C clusters' formation and stability. Our studies expand the family of CeOCs and enhance our understanding of the effects of cerium's oxidation states on cluster formation. [ABSTRACT FROM AUTHOR]
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- 2024
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29. Near‐Infinite‐Chain Polymers with Ge=Ge Double Bonds.
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Thömmes, Anna‐Lena, Büttner, Thomas, Morgenstern, Bernd, Janka, Oliver, Kickelbick, Guido, Niebuur, Bart‐Jan, Kraus, Tobias, Gallei, Markus, and Scheschkewitz, David
- Subjects
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DEGREE of polymerization , *SMALL-angle scattering , *DOUBLE bonds , *NUCLEAR magnetic resonance spectroscopy , *HEAVY elements - Abstract
Despite considerable interest in heteroatom‐containing conjugated polymers, there are only few examples with heavier p‐block elements in the conjugation path. The recently reported heavier acyclic diene metathesis (HADMET) allowed for the synthesis of a polymer containing Ge=Ge double bonds—albeit insoluble and with limited degree of polymerization. By incorporation of long alkyl chains, we now obtained soluble representatives, which exhibit degrees of polymerization near infinity according to diffusion‐ordered NMR spectroscopy (DOSY) and dynamic light scattering (DLS). UV/Vis and NMR data confirm the presence of σ,π‐conjugation across the silylene‐phenylene linkers between the Ge=Ge double bonds. Favorable intermolecular dispersion interactions lead to ladder‐like cylindrical assemblies as confirmed by X‐ray diffraction (XRD), small angle X‐ray scattering (SAXS) and DLS. AFM and TEM images of deposited thin films reveal lamellar ordering of extended polymer bundles. [ABSTRACT FROM AUTHOR]
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- 2024
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30. Molecular Design and Alignment for Ambipolar SCLC Mobility in Self‐Assembled Columnar Discogens.
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De, Joydip, De, Ritobrata, Bala, Indu, Gupta, Santosh Prasad, Yadav, Rahul Singh, Pandey, Upendra Kumar, and Pal, Santanu Kumar
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DISCOTIC liquid crystals , *SMALL-angle scattering , *SPACE charge , *MOLECULAR orientation , *GRAZING incidence , *ORGANIC semiconductors - Abstract
The future of next‐generation electronics relies on low‐cost organic semiconductors that are tailored to simultaneously provide all requisite optoelectronic properties, focusing greatly on ambipolar charge‐transport and solution processability. In this regard, room‐temperature discotic liquid crystals (DLCs) are potential candidates, where quasi‐1D self‐assembly affords a charge‐transport channel along their columnar axis. This work shows a molecular design strategy by utilizing anthraquinone as the primary motif, surrounded by ester functionalized tri‐alkoxy phenyl units to develop room‐temperature DLCs (
1.1–1.3 ). Here, the polar ester functionality stabilizes the columnar mesophase over a wide range through the involvement of dipole‐dipole interaction along with theπ–π stacking. Throughout the entire mesophase transition, reported compounds1.1–1.3 exhibit a highly ordered 2D columnar oblique (Colob) self‐assembly. Space charge limited current (SCLC) experiments reveal balanced ambipolar charge transport, with the maximum hole and electron mobilities of 5.04 and 4.93 cm2 V−1 s−1, respectively. From the conoscopic results, their propensity to align in a highly homeotropic fashion is demonstrated. It is further justified by the azimuthal plot corresponding to the (11) peak of grazing incidence small angle X‐ray scattering (GISAXS), denoting the crucial role of the design and alignment for efficient movement of charge carriers in the material. [ABSTRACT FROM AUTHOR]- Published
- 2024
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31. Structural and functional studies of the EGF20-27 region reveal new features of the human Notch receptor important for optimal activation.
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Bo, Zhihan, Rowntree, Thomas, Johnson, Steven, Nurmahdi, Hilman, Suckling, Richard J., Hill, Johan, Korona, Boguslawa, Weisshuhn, Philip C., Sheppard, Devon, Meng, Yao, Liang, Shaoyan, Lowe, Edward D., Lea, Susan M., Redfield, Christina, and Handford, Penny A.
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SMALL-angle scattering , *DROSOPHILA , *MUTAGENESIS , *PHENOTYPES , *CRYSTALLOGRAPHY - Abstract
The Notch receptor is activated by the Delta/Serrate/Lag-2 (DSL) family of ligands. The organization of the extracellular signaling complex is unknown, although structures of Notch/ligand complexes comprising the ligand-binding region (LBR), and negative regulatory region (NRR) region, have been solved. Here, we investigate the human Notch-1 epidermal growth factor-like (EGF) 20-27 region, located between the LBR and NRR, and incorporating the Abruptex (Ax) region, associated with distinctive Drosophila phenotypes. Our analyses, using crystallography, NMR and small angle X-ray scattering (SAXS), support a rigid, elongated organization for EGF20-27 with the EGF20-21 linkage showing Ca2+-dependent flexibility. In functional assays, Notch-1 variants containing Ax substitutions result in reduced ligand-dependent trans -activation. When cis -JAG1 was expressed, Notch activity differences between WT and Ca2+-binding Ax variants were less marked than seen in the trans -activation assays alone, consistent with disruption of cis -inhibition. These data indicate the importance of Ca2+-stabilized structure and suggest the balance of cis - and trans -interactions explains the effects of Drosophila Ax mutations. [Display omitted] • hN-1 EGF20-27 is mainly rigid and elongated with high Ca2+ affinity in most domains • EGF21 has a weaker affinity for Ca2+ so the EGF20-21 interface may vary in rigidity • EGF24-25 Ca2+-binding site mutagenesis reduces trans -activation and cis -inhibition • This indicates the functional importance of the Ca2+-stabilized structure The structure of the Notch ectodomain remains unsolved. Bo et al. identify an elongated Ca2+-dependent structure for EGF 20–27 which includes the Abruptex (Ax) region. Loss of Ca2+-dependent structure within this region leads to reduced trans -activation and cis -inhibition, indicating a role for rigidity in optimizing generation of the Notch signal. [ABSTRACT FROM AUTHOR]
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- 2024
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32. Unveiling the Mechanics Behind Polyimide's Friction-Greening Phenomenon.
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Li, Zhipeng, Ma, Dawei, Li, Haowen, Zhao, Baojie, Huang, Yinglong, and Li, Yanbo
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ENERGY levels (Quantum mechanics) , *SMALL-angle scattering , *THRESHOLD voltage , *PHOTOLUMINESCENCE , *DIELECTRICS - Abstract
Polyimide (PI) has been widely used as a flexible substrate in the OLED display industry to achieve folding and other functions. However, it has unintended side effects, such as friction-greening, a green screen phenomenon caused by friction after prolonged usage. This is related to drifting TFT characteristics caused by charge accumulating in the PI in combination with the high efficiency of green pixels. In this study, the mechanism of the influence of PI structure on friction-greening was investigated. Increasing the process temperature from 350 °C to 470 °C, the chain segment structure within the PI became more regularized. Thus, the material had higher conductivity and shallower trap energy levels, which was confirmed by X-ray small angle scattering, dielectric, photoluminescence, and other methods. Under prolonged discharge conditions, less charge accumulated within PI, thus effectively mitigating the threshold voltage drift of the thin-film transistor (TFT). These results will contribute to the further optimization of the process and the development of PI materials. [ABSTRACT FROM AUTHOR]
- Published
- 2024
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33. Application prospect of synchrotron radiation SAXS in time-resolved study of dust explosion.
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Liu, Jiahao, Wu, Haijuan, Li, Wenmin, Yang, Longlong, Sun, Yingfeng, Qin, Qingfeng, Li, Zhihong, Shi, Lei, Zhao, Yixin, Cao, Xiong, Li, Dongfeng, and Chen, Jiangang
- Subjects
- *
DUST explosions , *SMALL-angle X-ray scattering , *WORK-related injuries , *PARTICLE dynamics , *SMALL-angle scattering - Abstract
Dust explosions are common and highly hazardous industrial accidents that occur rapidly and involve complex changes in particle structure. Traditional experimental methods struggle to capture the time-resolved information of the explosion process, limiting the in-depth study of its dynamic mechanisms. Synchrotron radiation small-angle x-ray scattering (SAXS) offers a novel method to study the microscopic dynamics of dust particles during explosions. Utilizing high-flux x-rays from synchrotron facilities, coupled with fast detectors and specialized explosive chambers, SAXS provides high temporal and spatial resolution alongside nondestructive detection capabilities. It is expected to obtain information on particle morphology changes during dust explosions. This contribution first introduces the basic characteristics and hazards of dust explosions, reviews the current research status and challenges, and then expounds on the basic principles and advantages of synchrotron radiation SAXS. Finally, the potential of this method in real-time monitoring of dust explosion characteristics and enhancing understanding of explosion mechanisms was explored. [ABSTRACT FROM AUTHOR]
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- 2024
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34. Microgels with controlled network topologies by photocrosslinking-assisted continuous precipitation polymerization.
- Author
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Walkowiak, Jacek J., Litzen, Inga, Michalska-Walkowiak, Joanna, Förster, Beate, Stouten, Jules, Bernaerts, Katrien V., Demco, Dan E., and Pich, Andrij
- Subjects
- *
SMALL-angle scattering , *ATOMIC force microscopy , *MICROGELS , *LIGHT scattering , *RF values (Chromatography) - Abstract
[Display omitted] In this study, we present a new synthesis methodology based on photo-crosslinking-assisted continuous precipitation polymerization which allows controlling the distribution of crosslinks in microgels. In our approach we substituted conventional crosslinking agent by a comonomer carrying photo-crosslinkable 4-oxocyclopent-2-en-1-yl group. Microgel size, morphology, distribution of crosslinks and packing density of the polymer chains are studied as a function of retention time (Rt) in the flow reactor. Dynamic and static light scattering (DLS and SLS) as well as small angle X-ray scattering (SAXS) proved an excellent level of control over the distribution of crosslinks in microgels during the polymerization process. These results were confirmed by atomic force microscopy (AFM), indicating a difference in microgel stiffness and arrangement of the polymer network as resulting from increased Rt. [ABSTRACT FROM AUTHOR]
- Published
- 2024
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35. Enhancing glucose oxidation: exploring 3D Pt nanowire frameworks for electrochemical studies.
- Author
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Zaman, Tamseel, Akbar, Samina, White, Joshua S., and Nandhakumar, Iris
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OXIDATION of glucose , *SMALL-angle scattering , *TRANSMISSION electron microscopy , *CYCLIC voltammetry , *ELECTRON scattering - Abstract
Here, we report the use of highly reproducible free-standing 3D Pt nanowire frameworks (3D Pt NFs) to investigate the electrochemical oxidation of glucose. To create this unique Pt NFs, we utilize a lipidic bicontinuous cubic phase as a template. The resulting Pt NFs exhibits a unique 3D single diamond morphology with Fd3m symmetry. This intricate structure provides a large surface area and high electrocatalytic efficiency, making it more sensitive to glucose detection. Small Angle X-ray Scattering and Transmission electron microscopy investigations provided valuable insights into the nanoarchitecture of 3D Pt NFs. It highlights the interconnected nature of the nanowires and showcases the potential for optimized electrochemical performance. Very high current densities are registered for the glucose oxidation reactions at 3D Pt NFs during cyclic voltammetry investigations. This knowledge aids in the design and development of advanced electrocatalytic systems, fuel cells, biosensors, and other devices that leverage the unique characteristics of the 3D Pt framework. This study explores 3D Pt NFs for electrochemical glucose oxidation. Using a phytantriol template with two non-intersecting aqueous channels (A), Pt is electrodeposited in one channel (B), resulting in the formation of 3D Pt NFs after template washing (C). This approach demonstrates the potential for efficient glucose oxidation in the structured nanowire frameworks. [ABSTRACT FROM AUTHOR]
- Published
- 2024
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36. The smearing function for a multi‐slit very small angle neutron scattering instrument.
- Author
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Han, Zehua, Ma, Changli, Zhu, Hong, Cui, Tengfei, Zuo, Taisen, and Cheng, He
- Subjects
- *
SMALL-angle scattering , *NEUTRON scattering , *NEUTRON sources , *SMALL-angle neutron scattering , *NEUTRONS , *POLYSTYRENE - Abstract
Besides traditional pinhole geometry, the multi‐slit very small angle neutron scattering instrument (MS‐VSANS) at the China Spallation Neutron Source also utilizes a multi‐slit collimation system to focus neutrons. Using the special focusing structures, the minimum scattering vector magnitude (q) can reach 0.00028 Å−1. The special structures also lead to a significantly different smearing function. By comparing the results of theoretical calculations with experimental data, we have validated the feasibility of a smearing method based on a mature theory for slit smearing. We use the weight‐averaged intensity of neutron wavelength as a representative to evaluate the effect from a broad wavelength distribution, concentrating on the effect from the geometry of the multi‐slit structures and the detector. The consistency of the theoretical calculation of the smearing function with experimental VSANS scattering profiles for a series of polystyrene standards of different diameters proves the feasibility of the smearing method. This marks the inaugural use of real experimental data from an instrument employing a multi‐slit collimation system. [ABSTRACT FROM AUTHOR]
- Published
- 2024
- Full Text
- View/download PDF
37. X-ray scatterings to probe the structure and assembly of biomimetic membranes.
- Author
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Seth, Ajit, Kaushik, Devansh, and Ghosh, Sajal K.
- Subjects
- *
PHYSICAL & theoretical chemistry , *SMALL-angle scattering , *PHYSICAL sciences , *MATERIALS science , *BIOLOGICAL membranes - Abstract
Biomimetic membranes are the model membranes formed with a few chemical components, particularly with phospholipids that closely follow a biological membrane. There are multiple experimental techniques to probe the physio-chemical properties and structure of such systems. X-ray scattering techniques are the important ones as they are non-destructive in nature and can provide structural details about the assembly of molecules in the membrane at sub-nanometer length scale. In this review, major techniques, such as small angle X-ray scattering (SAXS), X-ray reflectivity (XRR), and grazing incidence X-ray diffraction (GIXD) have been discussed with a focus on the structural aspect of membranes. One of these techniques is chosen depending upon the model membranes that include the lipid monolayer at air–water interface, unilamellar vesicles (ULV), multilamellar vesicles (MLV), single- or multi-layer of membranes on a solid or a soft support. A few recent results have also been discussed that are obtained by utilizing the advanced synchrotron-based X-ray scattering techniques. Finally, a few challenges and future aspects in the research field have been presented. [ABSTRACT FROM AUTHOR]
- Published
- 2024
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38. Carbon particle size distributions in the detonation products of PBX 9502.
- Author
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Klein, Jeffrey M., Velizhanin, Kirill A., Dattelbaum, Dana, and Huber, Rachel
- Subjects
- *
SMALL-angle scattering , *PARTICLE size distribution , *AMORPHOUS carbon , *EQUATIONS of state , *EXPLOSIVES - Abstract
Time resolved small angle x-ray scattering measurements were used to monitor the carbon product formation in the gas gun driven detonation of PBX 9502. A transition from well-ordered carbon particles to amorphous low-density phases of solid carbon are observed in the gas gun driven detonation. During overdriven detonations only the amorphous carbon is observed. These measurements demonstrate the differences between electrical driven and gas gun driven detonations of high explosives. Careful characterization of the carbon products from PBX 9502 facilitates in the development of explosive equations of state and the ability to utilize carbon signatures of detonations as forensic tools. [ABSTRACT FROM AUTHOR]
- Published
- 2024
- Full Text
- View/download PDF
39. Simple Scattering: Lipid nanoparticle structural data repository
- Author
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Kim, Lee Joon, Shin, David, Leite, Wellington C, O’Neill, Hugh, Ruebel, Oliver, Tritt, Andrew, and Hura, Greg L
- Subjects
Medical Biotechnology ,Biomedical and Clinical Sciences ,Bioengineering ,Nanotechnology ,Generic health relevance ,lipid nanoparticles ,SAS ,small-angle scattering ,database ,vaccines ,structure-activity relationship ,web application ,Biochemistry and cell biology ,Medical biochemistry and metabolomics - Abstract
Lipid nanoparticles (LNPs) are being intensively researched and developed to leverage their ability to safely and effectively deliver therapeutics. To achieve optimal therapeutic delivery, a comprehensive understanding of the relationship between formulation, structure, and efficacy is critical. However, the vast chemical space involved in the production of LNPs and the resulting structural complexity make the structure to function relationship challenging to assess and predict. New components and formulation procedures, which provide new opportunities for the use of LNPs, would be best identified and optimized using high-throughput characterization methods. Recently, a high-throughput workflow, consisting of automated mixing, small-angle X-ray scattering (SAXS), and cellular assays, demonstrated a link between formulation, internal structure, and efficacy for a library of LNPs. As SAXS data can be rapidly collected, the stage is set for the collection of thousands of SAXS profiles from a myriad of LNP formulations. In addition, correlated LNP small-angle neutron scattering (SANS) datasets, where components are systematically deuterated for additional contrast inside, provide complementary structural information. The centralization of SAXS and SANS datasets from LNPs, with appropriate, standardized metadata describing formulation parameters, into a data repository will provide valuable guidance for the formulation of LNPs with desired properties. To this end, we introduce Simple Scattering, an easy-to-use, open data repository for storing and sharing groups of correlated scattering profiles obtained from LNP screening experiments. Here, we discuss the current state of the repository, including limitations and upcoming changes, and our vision towards future usage in developing our collective knowledge base of LNPs.
- Published
- 2024
40. Phytantriol phase behaviour in deep eutectic solvent-water mixtures.
- Author
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Bryant, Saffron J., Greaves, Tamar L., and Bryant, Gary
- Subjects
- *
CHOLINE chloride , *NONAQUEOUS solvents , *SMALL-angle scattering , *ETHYLENE glycol , *BETAINE , *MICROREACTORS - Abstract
[Display omitted] Deep eutectic solvents are highly tailorable non-aqueous solvents with potential applications ranging from energy catalysis to cryopreservation. Self-assembled lipid structures are already used in a variety of industries including cosmetics, drug delivery and as microreactors. However, most research into lipid self-assembly has been limited to aqueous solvents. This paper explores the self-assembly of a well-known lipid, phytantriol, in different deep eutectic solvents composed of choline chloride with urea, glycerol, or ethylene glycol, and one composed of betaine and glycerol. High-throughput small angle X-ray scattering was employed to examine self-assembly of this lipid in these deep eutectic solvents, and in mixtures with water from 25 to 66 °C. Choline chloride:urea and neat betain:glycerol supported complex phase formation including the Pn3m cubic phase, and an inverse hexagonal (H II) phase, while choline chloride:glycerol and choline chloride:ethylene glycol favoured amorphous or unstructured lipid assemblies. In all cases, water contents above 50 wt% favoured the formation of highly structured phases. These results demonstrate that deep eutectic solvents can support lipid assembly, but also that small changes to the solvent can lead to significant changes in lipid behaviour. This provides an avenue for solvent-controlled tailoring of lipid structures as well as a mechanism for targeted release of cargo, such as through simple addition of water to trigger a phase change. These results provide significant new insight into solvent-controlled lipid self-assembly with far-reaching applications. [ABSTRACT FROM AUTHOR]
- Published
- 2025
- Full Text
- View/download PDF
41. Maintaining hexagonal structures through interfacial positioning of crosslinkers for nanofiltration.
- Author
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Gu, Senlin, Campo, Liliana de, O'Dell, Luke A., Zhang, Liangliang, Zhang, Jiaqi, Knott, Robert, Zhang, Jizhen, Yang, Jing, Lynch, Peter A., Li, Yongjin, Gao, Weimin, Wang, Dong, Wang, Guang, and Kong, Lingxue
- Subjects
- *
LYOTROPIC liquid crystals , *SMALL-angle scattering , *NUCLEAR magnetic resonance , *GRAZING incidence , *NANOFILTRATION , *WATER filtration - Abstract
[Display omitted] • The interfacial positioning of crosslinkers assists in maintaining hexagonal structure. • Hydrophilic crosslinkers are positioned in the water pathways between the hexagonally packed cylinders. • Long chain crosslinkers enhance the connection between neighbouring cylinders and stabilize the hexagonal structure. • Improved retention of hexagonal structure effectively enhances water filtration performance. Optimizing interfacial positioning of crosslinkers within a reactive self-assembled hexagonal lyotropic liquid crystals (HLLC) system could assist in retaining the hexagonal structure during polymerization and thereby improving water filtration performances of the as-synthesized nanofiltration membranes. The positioning of the hydrophilic crosslinker, poly (ethylene glycol) diacrylate (PEGDA), within the reactive HLLC system was systematically investigated using 2H and 13C solid nuclear magnetic resonance (NMR) and small angle X-ray scattering (SAXS) techniques. The structural variation and water filtration performances of these HLLC systems with/without crosslinkers after polymerization were further studied using grazing incidence SAXS (GISAXS) and crossflow filtration tests, respectively. The hexagonal structure can be effectively retained in the reactive HLLC system when an optimal PEGDA content is introduced and distributed well in the water pathways between the hexagonally packed cylinders. The system will otherwise transit into a lamellar structure if no PEGDA introduced even with reactive head groups. Crosslinkers with longer molecular chains are more effective in connecting the neighbouring cylinders and stabilizing the hexagonal structure during polymerization. The well-retained and aligned HLLC system results in a defect-free active layer with highly continuous water pathways, which improves both permeability and ion rejection compared to the system without PEGDA. Understanding the interfacial positioning of crosslinkers allows for precise control of the hexagonal structure during polymerization via molecular design for fabricating effective nanofiltration membranes. [ABSTRACT FROM AUTHOR]
- Published
- 2025
- Full Text
- View/download PDF
42. Dynamic self-assembled meso-structures formed across a wide concentration range in aqueous solutions of propranolol hydrochloride.
- Author
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Yan, Yixuan, Shen, Yichun, Mahmoudi, Najet, Li, Peixun, Tellam, James, Campbell, Richard A., Barlow, David J., Edkins, Katharina, Leach, Andrew G., and Lawrence, M.Jayne
- Subjects
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COLLOIDS , *SMALL-angle scattering , *NUCLEAR magnetic resonance , *PROPRANOLOL , *AQUEOUS solutions - Abstract
[Display omitted] • Propranolol hydrochloride self-associates in aqueous solution. • A continuum of particle sizes is shown to exist across a wide concentration range. • MD studies show that molecules join and leave aggregates on a nanosecond timescale. • The aggregates are prolate ellipsoids with a polar shell and apolar core. • Formation of the aggregates is driven by π-π or CH-π interactions. Nanoscale characterisation of the self-associated species formed by amphiphilic pharmaceuticals in aqueous solution carries relevance across their entire journey from development through to manufacture – relevant, therefore, not only as regards formulation of the drug products as medicines, but also potentially relevant to their bioavailability, activity, and clinical side effects. Such knowledge and understanding, however, can only be fully secured by applying a range of experimental and theoretical methodologies. Herein, we apply a synergistic combination of solubility, surface tension, SANS, NMR and UV spectroscopic studies, together with MD simulation and QM calculations, to investigate the meso -structures of propranolol hydrochloride aggregates in bulk aqueous solutions, at concentrations spanning 2.5 mM to > 200 mM. In addition, we explore the effects of adding NaCl to mimic the ionic strength of physiological fluids, and the differences between racemate and single enantiomer. There is a continuum of particle sizes shown to exist across the entire concentration range, with molecules joining and leaving on the nanosecond timescale, and with the distributions of aggregate sizes varying with drug and salt concentration. Given that propranolol is a highly prescribed (WHO essential) medicine, disfavouring aggregators from consideration in high-throughput screening for potential new drug candidates − as many have advocated − should thus be done cautiously. [ABSTRACT FROM AUTHOR]
- Published
- 2025
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43. Supramolecular dextran/polyamine phosphate nanocapsules with smart responsiveness for encapsulation of therapeutics.
- Author
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Steffè, Aharon, Milano, Francesca, Reyes, Santiago Giménez, Buco, Francesca, Leonetti, Riccardo, Roque-Diaz, Yessica, Zuffi, Sofia, Di Gianvincenzo, Paolo, Cortese, Angela Roberta, Ritacco, Hernan, Andreozzi, Patrizia, Ortore, Maria Grazia, Moya, Sergio E., and Marradi, Marco
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SMALL-angle scattering , *DIFFUSION measurements , *SUPRAMOLECULAR polymers , *THERAPEUTIC use of proteins , *POLYSACCHARIDES , *POLYAMINES , *DEXTRAN - Abstract
[Display omitted] • Dextran (DEX)-polyallylamine (PAH) assembles in phosphate buffer with different morphology depending on DEX loading. • PAH modified with one DEX chain per polyamine form glyconanocapsules with sizes around 100 nm. • PAH:DEX glyconanocapsules assemble and disassemble in response to external pH. • pH sensibility of glyconanocapsules can be used for protein entrapment and release. The polyallylamine hydrochloride (PAH) polymer is here functionalized with branched and biocompatible polysaccharide dextran (DEX) molecules. Covalent conjugation of DEX to PAH has been achieved through a straightforward reductive amination approach, allowing for a controlled number of DEX chains per PAH polymer (PAH:DEX n , n = 0.1, 0.5, 1, 2, 5, 10). When exposed to phosphate buffer, PAH:DEX n polymers form supramolecular assemblies. Physico chemical characteristics and pH responsiveness of the assemblies are correlated with the number of dextran chains per PAH molecule. Nanocapsules (NCs) are formed when PAH:DEX ratio is 1. Capsule formation is explained by the branched nature of DEX and steric consideration ruling the organization of polyamine chains in phosphate buffer. NCs and glyconanoparticles formed with n < 1 are responsive to pH changes, being disassembled at endosomal pH < 6 and reassembled when 6 < pH < 9. Dynamic light Scattering (DLS), ζ-potential measurements, cryo-Electron Microscopy and Small Angle X-ray Scattering (SAXS) provided key information about their structure, morphology, size, polydispersity, surface charge, and stability over time. Protein entrapment into the NCs and pH-dependent release is demonstrated with bovine serum albumin (BSA) as model protein by diffusion measurements in fluorescence correlation spectroscopy (FCS), following changes in BSA conformation before and after triggering NC disassembly by circular dichroism (CD), and comparing NCs SAXS fingerprints with and without BSA. Our results show novel assemblies based on polyamine phosphate interactions with capacity of loading large molecules through the formation of capsules, which may find applications in the endosomal delivery of therapeutic proteins and enzymes. [ABSTRACT FROM AUTHOR]
- Published
- 2025
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44. Structure and morphology of vesicular dispersions based on novel phosphatidyl glucose and phosphatidyl choline with different acyl chains.
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Barchan, Nikolina, Gilbert, Jennifer, Pal, Antara, Nylander, Tommy, and Adlercreutz, Patrick
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SMALL-angle scattering , *ACYL group , *TRANSMISSION electron microscopy , *COLLOIDAL stability , *PHOSPHOLIPIDS - Abstract
[Display omitted] Phospholipids are widely used in food and pharmacological formulations. However, these typically suffer from limitations such as low colloidal stability. Promising stability has been observed for vesicles based on phosphatidylglucose (P-Glu), but fundamental knowledge on this lipid is missing and those observations were made using P-Glu containing mixed acyl groups. The acyl groups are expected to influence the properties of phosphatidylglucose to a large extent. Using an enzyme-based method, P-Glu containing either palmitic (DPP-Glu), stearic (DSP-Glu) or oleic (DOP-Glu) acid were synthesized. The morphology of the lipid dispersions was studied using small angle x-ray scattering and cryogenic transmission electron microscopy and the data was modelled to extract bilayer structural parameters. Phosphatidylcholine lipids containing the same fatty acids were studied for comparison. All phosphatidylcholine lipids formed mainly multilamellar vesicles. DOP-Glu formed unilamellar vesicles (ULVs), while disc like objects were observed in the case of DPP-Glu and DSP-Glu formed predominantly bilayer stacks. In the 1:1 mixture of the DOPC and DOP-Glu, ULVs were formed. The bilayer thickness increased as follows: DOP-Glu < DPP-Glu < DSP-Glu and in the PC series the same trend was seen for the lamellar spacing. DSP-Glu had similar lamellar spacing as DSPC. [ABSTRACT FROM AUTHOR]
- Published
- 2025
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45. Structural and functional characterization of a histidylated liposome for mRNA delivery.
- Author
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Ngalle Loth, Albert, Maroquenne, Manon, Medjmedj, Ayoub, Coste, Franck, Bizien, Thomas, Pichon, Chantal, Logeart-Avramoglou, Delphine, and Perche, Federico
- Subjects
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SMALL-angle scattering , *NUCLEIC acids , *LIPOSOMES , *MESSENGER RNA , *CONFOCAL microscopy - Abstract
The development of lipid-based mRNA delivery systems has significantly facilitated recent advances in mRNA-based therapeutics. Liposomes, as the pioneering class of mRNA vectors, continue to lead in clinical trials. We previously developed a histidylated liposome that demonstrated efficient nucleic acid delivery. In this study, the liposome preparation process was optimized by freeze-drying followed by extrusion to homogenize size distribution and improve storage stability. A comprehensive characterization of these LYX liposomes was performed, including evaluation in cellular and murine animal models. LYX liposomes can be stored for up to one year at 4 °C, maintaining a stable size (150 ± 10 nm) and polydispersity index (0.10 ± 0.02), while preserving their transfection efficacy. They exhibit high encapsulation efficacy (∼95 %) and protect mRNA from RNase degradation. Lamellar organization was confirmed by Small Angle X-ray Scattering and CryoTEM, and intracellular trafficking was examined using confocal microscopy. LYX-mRNA lipoplexes can transfect both cell lines and primary cells, albeit with a lower transfection efficacy compared to the commercial Lipofectamine MessengerMAX™ vector. Our data suggest that this could be attributed to slower cell uptake and reduced endosomal escape of LYX. LYX liposomes effectively delivered mRNA encoding therapeutic BMP2 and BMP9 molecules, producing significant amounts of functional proteins that successfully induced BMP signaling. In addition, in vivo studies demonstrated the potential of LYX lipoplexes when incorporated into hydrogels and implanted subcutaneously in mice. These findings provided evidence that LYX liposomes are a promising platform for mRNA delivery, offering versatility for multiple applications. [Display omitted] [ABSTRACT FROM AUTHOR]
- Published
- 2025
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46. Stimulating β-Series Precipitation in Mg–Nd Alloys Via Microalloying: A Comparison of Electron Microscopy and Small-Angle Scattering Techniques.
- Author
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Meier, Janet M., Miao, Jiashi, DeBeer-Schmitt, Lisa, Ilavsky, Jan, and Luo, Alan A.
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SCANNING transmission electron microscopy ,PRECIPITATION (Chemistry) ,SMALL-angle scattering ,HEAT treatment ,X-ray scattering - Abstract
The Mg–Nd alloy system is of particular interest in the development of high-strength, lightweight structural alloys due to the formation of strengthening metastable Mg–Nd β-series precipitates during heat treatment. The strengthening is primarily provided by a combination of the β‴ and β
1 precipitation. It is therefore important to understand how the precipitation behavior can be enhanced by other common alloying elements. In this work, the effects of 0.2 wt pct Zn and Ca on β-series precipitation were studied. Small-angle/ultra-small-angle X-ray scattering (SAXS/USAXS) techniques in combination with scanning transmission electron microscopy (STEM) were used to study the evolution of precipitation microstructure. It is found that the Zn additions refine the precipitates, leading to an increase in hardness with aging at 200 °C. On the other hand, the Ca additions result in an acceleration in the formation of larger β1 precipitates and chains which provides less strengthening. The β1 chains are surrounded by precipitate-free zones (PFZs) that further contribute to the decreases in hardness observed in the over-aged condition. This paper demonstrated that SAXS/USAXS provides a powerful tool for an in situ study of the early stages of precipitation in the Mg–Nd-based alloys. [ABSTRACT FROM AUTHOR]- Published
- 2025
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47. Investigating the missing-wedge problem in small-angle X-ray scattering tensor tomography across real and reciprocal space
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Leonard C. Nielsen, Torne Tänzer, Irene Rodriguez-Fernandez, Paul Erhart, and Marianne Liebi
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tensor tomography ,small-angle scattering ,nanostructure ,missing wedge problem ,optimization ,Nuclear and particle physics. Atomic energy. Radioactivity ,QC770-798 ,Crystallography ,QD901-999 - Abstract
Small-angle-scattering tensor tomography is a technique for studying anisotropic nanostructures of millimetre-sized samples in a volume-resolved manner. It requires the acquisition of data through repeated tomographic rotations about an axis which is subjected to a series of tilts. The tilt that can be achieved with a typical setup is geometrically constrained, which leads to limits in the set of directions from which the different parts of the reciprocal space map can be probed. Here, we characterize the impact of this limitation on reconstructions in terms of the missing wedge problem of tomography, by treating the problem of tensor tomography as the reconstruction of a three-dimensional field of functions on the unit sphere, represented by a grid of Gaussian radial basis functions. We then devise an acquisition scheme to obtain complete data by remounting the sample, which we apply to a sample of human trabecular bone. Performing tensor tomographic reconstructions of limited data sets as well as the complete data set, we further investigate and validate the missing wedge problem by investigating reconstruction errors due to data incompleteness across both real and reciprocal space. Finally, we carry out an analysis of orientations and derived scalar quantities, to quantify the impact of this missing wedge problem on a typical tensor tomographic analysis. We conclude that the effects of data incompleteness are consistent with the predicted impact of the missing wedge problem, and that the impact on tensor tomographic analysis is appreciable but limited, especially if precautions are taken. In particular, there is only limited impact on the means and relative anisotropies of the reconstructed reciprocal space maps.
- Published
- 2024
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48. Underlying Roles of Polyol Additives in Promoting CO2 Capture in PEI/Silica Adsorbents.
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Moon, Hyun June, Carrillo, Jan‐Michael Y., Song, MinGyu, Rim, Guanhe, Heller, William T., Leisen, Johannes, Proaño, Laura, Short, Gabriel N., Banerjee, Sayan, Sumpter, Bobby G., and Jones, Christopher W.
- Subjects
CARBON sequestration ,SMALL-angle scattering ,DESORPTION kinetics ,NEUTRON scattering ,ETHYLENE glycol - Abstract
Solid‐supported amines having low molecular weight branched poly(ethylenimine) (PEI) physically impregnated into porous solid supports are promising adsorbents for CO2 capture. Co‐impregnating short‐chain poly(ethylene glycol) (PEG) together with PEI alters the performance of the adsorbent, delivering improved amine efficiency (AE, mol CO2 sorbed/mol N) and faster CO2 uptake rates. To uncover the physical basis for this improved gas capture performance, we probe the distribution and mobility of the polymers in the pores via small angle neutron scattering (SANS), solid‐state NMR, and molecular dynamic (MD) simulation studies. SANS and MD simulations reveal that PEG displaces wall‐bound PEI, making amines more accessible for CO2 sorption. Solid‐state NMR and MD simulation suggest intercalation of PEG into PEI domains, separating PEI domains and reducing amine‐amine interactions, providing potential PEG‐rich and amine‐poor interfacial domains that bind CO2 weakly via physisorption while providing facile pathways for CO2 diffusion. Contrary to a prior literature hypothesis, no evidence is obtained for PEG facilitating PEI mobility in solid supports. Instead, the data suggest that PEG chains coordinate to PEI, forming larger bodies with reduced mobility compared to PEI alone. We also demonstrate promising CO2 uptake and desorption kinetics at varied temperatures, facilitated by favorable amine distribution. [ABSTRACT FROM AUTHOR]
- Published
- 2024
- Full Text
- View/download PDF
49. Polytrauma impairs fracture healing accompanied by increased persistence of innate inflammatory stimuli and reduced adaptive response.
- Author
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Saiz, Augustine Mark, Rahmati, Maryam, Gresham, Robert Charles Henry, Baldini, Tony Daniel, Burgan, Jane, Lee, Mark A., Osipov, Benjamin, Christiansen, Blaine A., Khassawna, Thaqif El, Wieland, D. C. Florian, Marinho, André Lopes, Blanchet, Clement, Czachor, Molly, Working, Zachary M., Bahney, Chelsea S., and Leach, J. Kent
- Subjects
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FRACTURE healing , *SMALL-angle scattering , *FEMORAL fractures , *STAINS & staining (Microscopy) , *BONE regeneration - Abstract
The field of bone regeneration has primarily focused on investigating fracture healing and nonunion in isolated musculoskeletal injuries. Compared to isolated fractures, which frequently heal well, fractures in patients with multiple bodily injuries (polytrauma) may exhibit impaired healing. While some papers have reported the overall cytokine response to polytrauma conditions, significant gaps in our understanding remain in how fractures heal differently in polytrauma patients. We aimed to characterize fracture healing and the temporal local and systemic immune responses to polytrauma in a murine model of polytrauma composed of a femur fracture combined with isolated chest trauma. We collected serum, bone marrow from the uninjured limb, femur fracture tissue, and lung tissue over 3 weeks to study the local and systemic immune responses and cytokine expression after injury. Immune cell distribution was assessed by flow cytometry. Fracture healing was characterized using microcomputed tomography (microCT), histological staining, immunohistochemistry, mechanical testing, and small angle X‐ray scattering. We detected more innate immune cells in the polytrauma group, both locally at the fracture site and systemically, compared to other groups. The percentage of B and T cells was dramatically reduced in the polytrauma group 6 h after injury and remained low throughout the study duration. Fracture healing in the polytrauma group was impaired, evidenced by the formation of a poorly mineralized and dysregulated fracture callus. Our data confirm the early, dysregulated inflammatory state in polytrauma that correlates with disorganized and impaired fracture healing. [ABSTRACT FROM AUTHOR]
- Published
- 2024
- Full Text
- View/download PDF
50. Manipulating the hydrophilic / hydrophobic balance in novel cationic surfactants by ethoxylation: The impact on adsorption and self-assembly.
- Author
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Chen, Y, Petkov, JT, Ma, K, Li, P, R P Webster, J, Penfold, J, Thomas, RK, Allgaier, J, Dalgliesh, R, and Smith, G
- Subjects
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ANIONIC surfactants , *SMALL-angle scattering , *NEUTRON reflectivity , *NEUTRON scattering , *QUATERNARY ammonium salts , *SMALL-angle neutron scattering - Abstract
[Display omitted] Cationic surfactants have a wide range of applications, often associated with their affinity for a range of solid surfaces and their anti-microbial properties. Manipulating their adsorption and self-assembly properties is key to most applications, and this is commonly achieved through surfactant mixtures or manipulating their headgroup or alkyl chain structure. Achieving this through adjustments to their headgroup structure is less common in cationic surfactants than in anionic surfactants. Ethoxylation provides the ability to adjust the hydrophilic / hydrophobic balance, as extensively demonstrated in a range of anionic surfactants. This same approach has been applied here to a range of ethoxylated cationic surfactants in the form of the quaternary ammonium salts, and their tertiary nonionic equivalents before quaternisation. Their adsorption and self-assembly properties are investigated using predominantly the neutron scattering techniques of neutron reflectivity, NR, and small angle neutron scattering, SANS. The trends in the adsorption at the air–water interface and the self-assembly in aqueous solution demonstrate how the hydrophilic / hydrophobic balance can be adjusted by varying the degree of ethoxylation and the alkyl chain length, and illustrate the degree of interdependence of the different structural changes. The variation in the adsorption and the micelle structure shows how the surfactant conformation / packing changes as the degree of ethoxylation and alkyl chain length increases and how the introduction of charge induces further changes. [ABSTRACT FROM AUTHOR]
- Published
- 2024
- Full Text
- View/download PDF
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