Small-angle scattering is an increasingly common method for characterizing particle ensembles in a wide variety of sample types and for diverse areas of application. has been one of the most comprehensive and flexible curve-fitting programs for decades, with many specialized tools for various fields. Here, a selection of enhancements and additions to the program are presented that may be of great benefit to interested and advanced users alike: () further development of the technical basis of the program, such as new numerical algorithms currently in use, a continuous integration practice for automated building and packaging of the software, and upgrades on the plug-in system for easier adoption by third-party developers; () a selection of new form factors for anisotropic scattering patterns and updates to existing form factors to account for multiple scattering effects; () a new type of a very flexible distribution called metalog [Keelin (2016). , 243-277], and regularization techniques such as the expectation-maximization method [Dempster (1977). , , 1-22; Richardson (1972) , 55; Lucy (1974). , 745; Lucy (1994). , 983-994], which is compared with fits of analytical size distributions via the non-linear least-squares method; and () new structure factors, especially for ordered nano- and meso-scaled material systems, as well as the Ornstein-Zernike solver for numerical determination of particle interactions and the resulting structure factor when no analytical solution is available, with the aim of incorporating its effects into the small-angle scattering intensity model used for fitting with .

Download full-text PDF

Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9721323PMC
http://dx.doi.org/10.1107/S1600576722009037DOI Listing

Publication Analysis

Top Keywords

small-angle scattering
12
scattering patterns
8
form factors
8
scattering
5
updates fitting
4
fitting analytical
4
analytical expressions
4
expressions numerical
4
numerical models
4
models small-angle
4

Similar Publications

Structural Changes in Semi-Crystalline Ethylene-Based Ionomers During the Heating Process.

Polymers (Basel)

December 2024

Graduate School of Organic Materials Science, Yamagata University, 4-3-16 Jonan, Yonezawa 992-8510, Japan.

Article Synopsis
  • The study explored how different ionic groups in ethylene-based ionomers affect their behavior when heated, focusing on carboxylic acid groups neutralized by Zn and Na ions.
  • Differential scanning calorimetry (DSC) showed two endothermic peaks during heating, with the best melting enthalpy occurring at specific Na/Zn ratios, indicating optimal crystallite growth with both ions.
  • X-ray scattering techniques revealed temperature-dependent phase transitions of the crystals, and expansions of ionic aggregates were linked to the melting of polyethylene crystals, highlighting the relationship between ionic composition, microstructure, and thermal properties.
View Article and Find Full Text PDF

This work aimed to investigate the adsorption of organic compounds (4-nitroaniline and 4-chlorophenoxyacetic acid) on activated carbon in the presence of selected dyes (uranine and Acid Red 88) and surfactants (sodium dodecyl sulfate and hexadecyltrimethylammonium bromide). The adsorbent, i.e.

View Article and Find Full Text PDF

Real-time quantification of microfluidic hydrogel crosslinking via gas-phase electrophoresis.

J Colloid Interface Sci

January 2025

Department of Chemical Engineering, National Tsing Hua University, No. 101, Sec. 2, Kuang-Fu Rd. 300044 Hsinchu City, Taiwan, ROC. Electronic address:

This study presents a novel approach for the controlled synthesis and real-time characterization of crosslinked hyaluronic acid (HA) hydrogels utilizing a microfluidic platform coupled with hyphenated electrospray-differential mobility analysis (ES-DMA). By precisely controlling key synthesis parameters within the microfluidic environment, including pH, temperature, reaction time, and the molar ratio of HA to crosslinker (1,4-butanediol diglycidyl ether, BDDE), we successfully synthesized HA hydrogels with tailored size and properties. The integrated ES-DMA system provides rapid, in-line analysis of hydrogel particle size and distribution, enabling real-time monitoring and optimization of the synthesis process.

View Article and Find Full Text PDF

A series of tripodal (three-arm) lysine-based peptides were designed and synthesized and their self-assembly properties in aqueous solution and antimicrobial activity were investigated. We compare the behaviors of homochiral tripodal peptides (KKY)K and a homologue containing the bulky aromatic fluorenylmethoxycarbonyl (Fmoc) group Fmoc-(KKY)K, and heterochiral analogues containing k (d-Lys), (kkY)K and Fmoc-(kkY)K. The molecular conformation and self-assembly in aqueous solutions were probed using various spectroscopic techniques, along with small-angle X-ray scattering (SAXS) and cryogenic-transmission electron microscopy (cryo-TEM).

View Article and Find Full Text PDF

Introduction of non-DLVO forces by nonionic surfactants brings about fascinating changes in the phase behavior of silica nanosuspensions. We show here that alterations in the interaction and wetting properties of negatively charged silica nanoparticles (Ludox® LS) in the presence of polyethylene oxide-polypropylene oxide-polyethylene oxide-based triblock copolymers called Pluronics lead to the formation of stable o/w Pickering emulsions and interparticle attraction-induced thermoresponsive liquid-liquid phase separations. The results make interesting comparisons with those reported for Ludox® TM nanosuspensions comprising larger silica nanoparticles.

View Article and Find Full Text PDF

Want AI Summaries of new PubMed Abstracts delivered to your In-box?

Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!