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| http://dx.doi.org/10.1002/cbic.200900451 | DOI Listing |
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A mechanistic insight into whey protein isolate (WPI) fibrillation driven by divalent cations.
Food Chem
January 2025
Department of Food Science and Technology, Faculty of Agriculture, Ferdowsi University of Mashhad, Azadi Sq., Mashhad, Khorasan Razavi P.O. Box 9177948944, Iran. Electronic address:
Protein fibrillation complex mechanisms led to an emerging trend in research for years. The mechanisms behind whey protein isolate (WPI) fibrillation driven by divalent cations remained still a matter of speculation. All cations (Ca, Fe, Mg, and Zn) enhanced the microenvironment polarity through π-π stacking, and the amide I and II shifts confirmed the fibrillation.
View Article and Find Full Text PDFssDNA Capture Dynamics by Graphene Nanopores: The Role of Electrophoresis and Electro-osmotic Flow.
J Phys Chem Lett
January 2025
School of Chemical Engineering and Light Industry, Guangdong University of Technology, Guangzhou 510006, People's Republic of China.
Efficient capture of single-stranded DNA (ssDNA) is crucial for high-throughput sequencing, which influences the speed and accuracy of genetic analysis. Electrophoresis (EP) and electro-osmotic flow (EOF) have a significant impact on the translocation behavior of ssDNA through the nanopore. Experimentally, dynamically tracking these two effects remains challenging, and conventional numerical methods also struggle to capture their dynamic properties in the presence of DNA.
View Article and Find Full Text PDFPerformance Tuning of Polarizable Gaussian Multipole Model in Molecular Dynamics Simulations.
J Chem Theory Comput
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Chemical and Materials Physics Graduate Program, Departments of Molecular Biology and Biochemistry, Chemical and Biomolecular Engineering, Materials Science and Engineering, and Biomedical Engineering, University of California, Irvine, Irvine, California 92697, United States.
Molecular dynamics (MD) simulations are essential for understanding molecular phenomena at the atomic level, with their accuracy largely dependent on both the employed force field and sampling. Polarizable force fields, which incorporate atomic polarization effects, represent a significant advancement in simulation technology. The polarizable Gaussian multipole (pGM) model has been noted for its accurate reproduction of ab initio electrostatic interactions.
View Article and Find Full Text PDFEnhancing the structural and optoelectronic properties of carboxymethyl cellulose sodium filled with ZnO/GO and CuO/GO nanocomposites for antimicrobial packaging applications.
Sci Rep
December 2024
Spectroscopy Department, National Research Centre, 33 El-Bohouth St., Dokki, Giza, 12622, Egypt.
One of the biggest challenges in food packaging is the creation of sustainable and eco-friendly packaging materials to shield foods from ultraviolet (UV) photochemical damage and to preserve the distinctive physical, chemical, and biological characteristics of foods throughout the supply chain. Accordingly, this study focuses on enhancing the UV shielding properties and biological activity of carboxylmethyl cellulose sodium (CMC) through modifications using zinc oxide (ZnO), copper oxide (CuO), and graphene oxide (GO) using the solution casting technique. The hybrid nanocomposites were characterized by fourier-transform infrared (FTIR) spectrophotometer, ultraviolet-visible (UV-Vis) spectrophotometer, scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDX), and x-ray diffraction (XRD).
View Article and Find Full Text PDFBinding of -[Ru(phen)(3,4Apy)] to Model Lipid Membranes: Implications for New Tools in the Development of Antiamyloid Drugs.
Langmuir
December 2024
Department of Chemistry, Federal University of São Carlos, CP 676, CEP, São Carlos, São Paulo 13565-905, Brazil.
This study explores the interactions of the -[Ru(phen)(Apy)] complex (RuApy, phen = 1,10-phenanthroline, Apy = 3,4-aminopyridine) with model lipid membranes to explain the role this complex plays in mitigating Aβ toxicity in PC12 neuronal cells. Fluorescence quenching, surface pressure isotherms in Langmuir monolayers, and infrared reflection-absorption analyses revealed that the positively charged RuApy interacts with the phosphate headgroups of monolayers, indirectly affecting ester carbonyl groups through hydrogen bonding with the amino group of the pyridine ligand of RuApy. These results offer a scenario for the protective effect of RuApy against Aβ toxicity in neuronal cells in which these interactions shield the electrostatic interactions of Aβ with lipid membranes, preserving membrane integrity and mitigating the deleterious influence of Aβ.
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