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Impact of choline choride and sugar natural deep eutectic solvents on structure and functionality of treebean (Parkia timoriana) seed protein.
Sci Rep
January 2025
Department of Food Engineering and Technology, Tezpur University, Tezpur, India.
This study explores the impact of natural deep eutectic solvents (NADES) on the structure and functionality of treebean (Parkia timoriana) seed protein, a novel approach to enhancing protein stability and functionality for sustainable bioprocessing. The research aims to evaluate the dynamic interactions between protein and choline chloride-sugar-based NADES, focusing on their effects on thermal properties, emulsification behaviour, and rheological characteristics. NADES were formulated using different sugars, and protein-NADES dispersions were analysed for their physicochemical and functional properties.
View Article and Find Full Text PDFComparative study of degree, neighborhood and reverse degree based indices for drugs used in lung cancer treatment through QSPR analysis.
Sci Rep
January 2025
Department of Pharmacology and Toxicology, College of Pharmacy, King Saud University, 11461, Riyadh, Saudi Arabia.
Quantitative structure-property relationship (QSPR) modeling has emerged as a pivotal tool in the field of medicinal chemistry and drug design, offering a predictive framework for understanding the correlation between chemical structure and physicochemical properties. Topological indices are mathematical descriptors derived from the molecular graphs that capture structural features and connectivity, playing a crucial role in QSPR analysis by quantitatively relating chemical structures to their physicochemical properties and biological activities. Lung cancer is characterized by its aggressive nature and late-stage diagnosis, often limiting treatment options and significantly impacting patient survival rates.
View Article and Find Full Text PDFfragSMILES as a chemical string notation for advanced fragment and chirality representation.
Commun Chem
January 2025
Dipartimento di Farmacia-Scienze del Farmaco, Università degli Studi di Bari Aldo Moro, Bari, Italy.
Generative models have revolutionized de novo drug design, allowing to produce molecules on-demand with desired physicochemical and pharmacological properties. String based molecular representations, such as SMILES (Simplified Molecular Input Line Entry System) and SELFIES (Self-Referencing Embedded Strings), have played a pivotal role in the success of generative approaches, thanks to their capacity to encode atom- and bond- information and ease-of-generation. However, such 'atom-level' string representations could have certain limitations, in terms of capturing information on chirality, and synthetic accessibility of the corresponding designs.
View Article and Find Full Text PDFInteractions between PEI and biological polyanions and the ability of glycosaminoglycans in destabilizing PEI/peGFP-C3 polyplexes for genetic material release.
Int J Biol Macromol
January 2025
Univ Rennes, CNRS, ISCR (Institut des Sciences Chimiques de Rennes), UMR 6226, F-35000 Rennes, France. Electronic address:
The lack of understanding of polyplexes stability and their dissociation mechanisms, allowing the release of DNA, is currently a major limitation in non-viral gene delivery. One proposed mechanism for DNA-based polyplexes dissociation is based on the electrostatic interactions between polycations and biological polyanions, such as glycosaminoglycans (GAGs). This work aimed at investigating whether GAGs such as heparin, chondroitin sulphate and hyaluronic acid promote the dissociation of PEI/DNA polyplexes.
View Article and Find Full Text PDFSteam washing for MSWI-FA treatment.
Waste Manag
January 2025
Earth Sciences Department, University of Turin 10125 Turin, Italy.
This study investigates steam washing (SW) as an innovative pretreatment for municipal solid waste incineration fly ash (MSWI-FA) dechlorination, useful for a more effective stabilization in cementitious matrix. By using a detailed analytical approach (XRPD, XRF, ICP-MS, IRMS, SEM) and geochemical modeling, great focus is dedicated on pollutant leaching reduction and changes in ash physicochemical characteristics as a function of exposure time. The research demonstrates that SW removes up to 70 % cadmium, 17 % zinc, and 10 % lead, primarily by dissolving the soluble and carbonate/hydroxide fractions and promoting the reprecipitation and adsorption of heavy metals into more stable compounds.
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