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In this work, small angle neutron scattering (SANS) data of branched polyethyleneimine (bPEI)/TEMPO-oxidized and ultrasonicated cellulose nanofiber (TOUS-CNF) xerogels, namely cellulose nano-sponges (CNSs), at different hydration level (h) and cross-linker amount, were analyzed through a combined approach involving generalized (2DCOS) and perturbation-correlation moving window (PCMW2D) two-dimensional correlation spectroscopy. The aim was to get novel insights into the sequence of structural changes experienced by the xerogel moieties upon hydration, based on the assessment of the cross-correlations existing at different length scales retrieved by the synchronous (SCMs) and asynchronous (ACMs) 2DCOS and PCMW2D correlation maps calculated upon variation in the chosen perturbation variable. It is worth noting that the application of 2DCOS and PCMW2D on SANS data enabled the identification of structural transitions that are not readily apparent from conventional SANS analysis, highlighting the sensitivity of this method in detecting structural dynamics as well as any minor changes in the polymer arrangement at both low and high spatial scales.
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http://dx.doi.org/10.1016/j.saa.2025.126776 | DOI Listing |
Int J Biol Macromol
September 2025
Elettra-Sincrotrone Trieste S. C. p. A., Science Park, Trieste I-34149, Italy.
G-quadruplexes are highly polymorphic noncanonical secondary structures of nucleic acids that play important biological roles. Understanding their unfolding mechanisms is essential for elucidating their stability and interactions. In this study, we investigated the thermal unfolding pathways of four biologically relevant G-quadruplex-forming DNA sequences using ultraviolet resonance Raman (UVRR) spectroscopy combined with advanced spectral analysis techniques.
View Article and Find Full Text PDFSpectrochim Acta A Mol Biomol Spectrosc
January 2026
Department of Mathematical and Computer Sciences, Physical Sciences and Earth Sciences, University of Messina, Viale Ferdinando Stagno D'Alcontres 31, 98166 Messina, Italy. Electronic address:
In this work, small angle neutron scattering (SANS) data of branched polyethyleneimine (bPEI)/TEMPO-oxidized and ultrasonicated cellulose nanofiber (TOUS-CNF) xerogels, namely cellulose nano-sponges (CNSs), at different hydration level (h) and cross-linker amount, were analyzed through a combined approach involving generalized (2DCOS) and perturbation-correlation moving window (PCMW2D) two-dimensional correlation spectroscopy. The aim was to get novel insights into the sequence of structural changes experienced by the xerogel moieties upon hydration, based on the assessment of the cross-correlations existing at different length scales retrieved by the synchronous (SCMs) and asynchronous (ACMs) 2DCOS and PCMW2D correlation maps calculated upon variation in the chosen perturbation variable. It is worth noting that the application of 2DCOS and PCMW2D on SANS data enabled the identification of structural transitions that are not readily apparent from conventional SANS analysis, highlighting the sensitivity of this method in detecting structural dynamics as well as any minor changes in the polymer arrangement at both low and high spatial scales.
View Article and Find Full Text PDFTalanta
April 2024
The Education Ministry Key Lab of Resource Chemistry, Shanghai Key Laboratory of Rare Earth Functional Materials, Shanghai Municipal Education Committee Key Laboratory of Molecular Imaging Probes and Sensors, and Department of Chemistry, Shanghai Normal University, Shanghai, 200234, PR China. Electr
The chemical composition and structure of the stratum corneum (SC) play a crucial role in the skin barrier function. Therefore, accurately determining the SC thickness and studying the changes in lipid and keratin structure and distribution within it are key aspects of skin barrier research. Currently, there are limited analytical tools and data analysis methods available for real-time and online studies of SC composition and structural changes.
View Article and Find Full Text PDFSpectrochim Acta A Mol Biomol Spectrosc
September 2023
Rutgers Center for Emergent Materials and Department of Physics and astronomy, Rutgers University, Piscataway, NJ 08854, USA.
Two-dimensional correlation spectroscopy (2D-COS) and perturbation-correlation moving window two-dimensional correlation spectroscopy (PCMW2D) analysis are performed on the temperature-dependent Raman spectra of hexagonal LuMnO single crystal. Under the resonance with the on-site Mn d-d transitions, the correlation between the phonons which are relate to the vibration of Mn ions' bonds and spin-excitation peaks suggest a strong spin-phonon coupling in LuMnO. The PCMW2D results clearly show that the significant change in phonons and spin-excitation peaks occurs around the Néel temperature and the spin reorientation transition.
View Article and Find Full Text PDFSpectrochim Acta A Mol Biomol Spectrosc
September 2022
College of Chemistry, Beijing University of Chemical Technology, Beijing 100029, China; Analysis & Test Center, Beijing University of Chemical Technology, Beijing 100029, China. Electronic address:
Effects of montmorillonite (MMT) on the crystallization behavior of poly(L-lactic acid) (PLLA) were investigated by variable-temperature FTIR spectroscopy. The variations of carbonyl band (1800-1720 cm) of different PLLA/MMT nanocomposites were focused due to its strong intensity and the involved abundant structure information. Difference spectrometry was used to evaluate the structural variations of PLLA after introducing MMT, and perturbation correlation moving window two-dimensional analysis (PCMW2D) split the temperature range into two sub-regions, i.
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