Development of a novel colloidal system enhancing the dispersibility of tocopherol nanoparticles in a nanoscale nutraceutical delivery system

Yakoubi, Sana; Kobayashi, Isao; Uemura, Kunihiko; Horchani−Naifer, Karima; Tounsi, Moufida Saïdani; Nakajima, Mitsutoshi; Hiroko, Isoda; Neves, Marcos A.

doi:10.1016/j.colsurfa.2023.131348

Cited by 9 publications

(1 citation statement)

References 106 publications

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“…The hydrogen bonds web associated with water molecules distributed within superficial layer (at water–air interface) led to such a high value of surface tension (or liquid air interfacial tension) for pure water. On the other hand, a certain, non-negligible surface-active character of the macromolecular compounds in the studied aqueous HPC systems can cause a progressive decrease of surface tension with elevating polymer concentration [ 31 , 32 ]. Furthermore, the surface tension of P-20% is 2.16 mN/m lower than that of P-0 ( Figure 4 B displayed) because the sodium acetate in the foaming agent ionized hydrophilic acetate ion (CH 3 COO − ), further promoted the formation of hydrogen bonds with water and further enhanced the hydrophilicity [ 33 ].…”

Section: Resultsmentioning

confidence: 99%

Wettability of HPMC/PEG/CS Thermosensitive Porous Hydrogels

Ma,

Shi,

Zhang

et al. 2023

Gels

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Thermosensitive hydrogels have been receiving attention in the development of fire extinguishing agents due to their stimuli responsivity. Conventional hydrogels are limited by their slow response rate, and their wettability has not been studied systematically. In the present study, a concentrate of a thermosensitive porous system has been successfully synthesized by adding Na2CO3/CH3COOH as a foaming agent into the mixture of hydroxypropyl methylcellulose (HPMC)/polyethylene glycol (PEG)/chitosan (CS). The systems with different concentrations were obtained by diluting the concentrate with water. Thermosensitivity, surface tension and contact angle were characterized. In addition, spreadability, wettability and adhesivity were investigated systematically. Results showed that the systems with a concentration greater than 15 wt% exhibited outstanding performance of thermosensitivity and coagulability. A total of 20 wt% of the system has the best spreadability and wettability on the wood surface, most likely due to favorable contributions brought by both adequate viscosity and hydrophilicity. The adhesive force and surface-free energy of the pre-gel droplet that reached deposition on the wood surface decreased by 46.78% and 20.71%, respectively. The gel has a great capacity of water retention over a long period of time, which makes this porous gel the best system when it comes to its wettability and adhesiveness towards the chosen wood surface. The equilibrium surface tension decreased by 45.50% compared with water. HPMC/PEG/CS thermosensitive porous hydrogel with excellent wettability presented wide-ranging possibilities for the further development of fire suppression agents of fast phase-transition thermosensitive hydrogel.

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Section: Resultsmentioning

confidence: 99%

Wettability of HPMC/PEG/CS Thermosensitive Porous Hydrogels

Ma,

Shi,

Zhang

et al. 2023

Gels

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Synergistic integration of deep learning with protein docking in cardiovascular disease treatment strategies

Yakoubi

2024

IUBMB Life

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This research delves into the exploration of the potential of tocopherol‐based nanoemulsion as a therapeutic agent for cardiovascular diseases (CVD) through an in‐depth molecular docking analysis. The study focuses on elucidating the molecular interactions between tocopherol and seven key proteins (1O8a, 4YAY, 4DLI, 1HW9, 2YCW, 1BO9 and 1CX2) that play pivotal roles in CVD development. Through rigorous in silico docking investigations, assessment was conducted on the binding affinities, inhibitory potentials and interaction patterns of tocopherol with these target proteins. The findings revealed significant interactions, particularly with 4YAY, displaying a robust binding energy of −6.39 kcal/mol and a promising Ki value of 20.84 μM. Notable interactions were also observed with 1HW9, 4DLI, 2YCW and 1CX2, further indicating tocopherol's potential therapeutic relevance. In contrast, no interaction was observed with 1BO9. Furthermore, an examination of the common residues of 4YAY bound to tocopherol was carried out, highlighting key intermolecular hydrophobic bonds that contribute to the interaction's stability. Tocopherol complies with pharmacokinetics (Lipinski's and Veber's) rules for oral bioavailability and proves safety non‐toxic and non‐carcinogenic. Thus, deep learning‐based protein language models ESM1‐b and ProtT5 were leveraged for input encodings to predict interaction sites between the 4YAY protein and tocopherol. Hence, highly accurate predictions of these critical protein–ligand interactions were achieved. This study not only advances the understanding of these interactions but also highlights deep learning's immense potential in molecular biology and drug discovery. It underscores tocopherol's promise as a cardiovascular disease management candidate, shedding light on its molecular interactions and compatibility with biomolecule‐like characteristics.

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