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Although metal-organic frameworks (MOFs) have widely demonstrated their convenient performances as drug-delivery systems, there is still work to do to fully understand the drug incorporation/delivery processes from these materials. In this work, a combined experimental and computational investigation of the main structural and physicochemical parameters driving drug adsorption/desorption kinetics was carried out. Two model drugs (aspirin and ibuprofen) and three water-stable, biocompatible MOFs (MIL-100(Fe), UiO-66(Zr), and MIL-127(Fe)) have been selected to obtain a variety of drug-matrix couples with different structural and physicochemical characteristics. This study evidenced that the drug-loading and drug-delivery processes are mainly governed by structural parameters (accessibility of the framework and drug volume) as well as the MOF/drug hydrophobic/hydrophilic balance. As a result, the delivery of the drug under simulated cutaneous conditions (aqueous media at 37 °C) demonstrated that these systems fulfill the requirements to be used as topical drug-delivery systems, such as released payload between 1 and 7 days. These results highlight the importance of the rational selection of MOFs, evidencing the effect of geometrical and chemical parameters of both the MOF and the drug on the drug adsorption and release.
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http://dx.doi.org/10.1021/acsomega.8b00185 | DOI Listing |
Dalton Trans
September 2025
Department of Chemistry and Protein Research Center for Bio-Industry, Hankuk University of Foreign Studies, Yongin 17035, Republic of Korea.
The nanoscale environment within the void spaces of metal-organic frameworks (MOFs) can significantly influence the photoredox catalytic activity of encapsulated visible-light photoredox catalysts (PCs). To compare two isostructural PC@In-MOF systems, three cationic Ru(II) polypyridine complexes were successfully encapsulated within the mesoscale channels of the anionic framework of InTATB (HTATB = 4,4',4''--triazine-2,4,6-triyltribenzoic acid), which features a doubly interpenetrated framework structure. This encapsulation yielded three heterogenized visible-light PCs, RuL@InTATB, where L = 2,2'-bipyridine (bpy), 1,10-phenanthroline (phen), or 2,2'-bipyrazine (bpz).
View Article and Find Full Text PDFAdv Sci (Weinh)
September 2025
School of Chemistry and Chemical Engineering, Yangzhou University, Yangzhou, Jiangsu, 225009, P. R. China.
Lithium-sulfur batteries (LSBs) hold great potential as next-generation energy storage systems due to their high theoretical energy density and relatively low cost. However, their practical application is hindered by issues such as the shuttle phenomenon caused by soluble lithium polysulfides (LiPSs), slow redox reaction rates, and unsatisfactory cycling stability. In this study, novel conjugated metal-organic frameworks, MM″(HHTP) (M, M″ = Ni, Co, Cu) is reported, as a functional coating on polypropylene (PP) separators.
View Article and Find Full Text PDFJ Phys Chem Lett
September 2025
School of Mathematics and Computer Science, Gannan Normal University, Ganzhou, 341000, China.
This study integrates machine learning (ML) and density functional theory (DFT) to systematically investigate the oxygen electrocatalytic activity of two-dimensional (2D) TM(HXBHYB) (HX/YB = HIB (hexaaminobenzene), HHB (hexahydroxybenzene), HTB (hexathiolbenzene), and HSB (hexaselenolbenzene)) metal-organic frameworks (MOFs). By coupling transition metals (TM) with the above ligands, stable 2D TM(HXBHYB)@MOF systems were constructed. The Random Forest Regression (RFR) model outperformed the others, revealing the intrinsic relationship between the physicochemical properties of 2D TM(HXBHYB)@MOF and their ORR/OER overpotentials.
View Article and Find Full Text PDFSmall Methods
September 2025
Institute of Geriatrics (Shanghai University), Affiliated Nantong Hospital of Shanghai University (The Sixth People's Hospital of Nantong) and School of Life Science, Shanghai University, Nantong, 226011, China.
Timely blood resupply is a clinical strategy to treat myocardial infarction, which unavoidably causes myocardial ischemia-reperfusion injury. With disturbed electrical conduction and oxidative stress in infarcted myocardium, injured heart experiences a negative ventricle remodeling process, and finally leads to heart failure. Nitric oxide (NO) is a short-lived signaling molecule regulating cardiovascular homeostasis, while vasodilation of systemic vasculature is accompanied by its exogenous supplementation.
View Article and Find Full Text PDFNanoscale
September 2025
Department of Chemical and Biomolecular Engineering, National University of Singapore, 117576, Singapore.
Separation of xylene isomers, serving as indispensable feedstock in the petrochemical industry, is important but significantly challenging due to their similar physicochemical properties. With readily tunable network structures and chemical functionalities, metal-organic frameworks (MOFs) are promising for separation and many other potential applications. Here, we computationally design 150 lanthanide-based MOFs with one-dimensional triangular nanopores by varying metal compositions.
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