Magnetic UiO-66-NH₂ Core–Shell Nanohybrid as a Promising Carrier for Quercetin Targeted Delivery toward Human Breast Cancer Cells

In this study, a magnetic core–shell metal–organic framework (MOF) nanocomposite, Fe3O4-COOH@UiO-66-NH2, was synthesized for tumor-targeting drug delivery by incorporating carboxylate groups as functional groups onto ferrite nanoparticle surfaces, followed by fabrication of the UiO-66-NH2 shell using a facile self-assembly approach. The anticancer drug quercetin (QU) was loaded into the magnetic core–shell nanoparticles. The synthesized magnetic nanoparticles were comprehensively evaluated through multiple techniques, including FT-IR, PXRD, FE-SEM, TEM, EDX, BET, UV–vis, ZP, and VSM. Drug release investigations were conducted to investigate the release behavior of QU from the nanocomposite at two different pH values (7.4 and 5.4). The results revealed that QU@Fe3O4-COOH@UiO-66-NH2 exhibited a high loading capacity of 43.1% and pH-dependent release behavior, maintaining sustained release characteristics over a prolonged duration of 11 days. Furthermore, cytotoxicity assays using the human breast cancer cell line MDA-MB-231 and the normal cell line HEK-293 were performed to evaluate the cytotoxic effects of QU, UiO-66-NH2, Fe3O4-COOH, Fe3O4-COOH@UiO-66-NH2, and QU@Fe3O4-COOH@UiO-66-NH2. Treatment with QU@Fe3O4-COOH@UiO-66-NH2 substantially reduced the cell viability in cancerous MDA-MB-231 cells. Cellular uptake and cell death mechanisms were further investigated, demonstrating the internalization of QU@Fe3O4-COOH@UiO-66-NH2 by cancer cells and the induction of cancer cell death through the apoptosis pathway. These findings highlight the considerable potential of Fe3O4-COOH@UiO-66-NH2 as a targeted nanocarrier for the delivery of anticancer drugs

Smart Multifunctional UiO-66 Metal–Organic Framework Nanoparticles with Outstanding Drug-Loading/Release Potential for the Targeted Delivery of Quercetin

Herein, UiO-66 and its two functional analogs (with −NO2 and −NH2 functional groups) were synthesized, and their potential ability as pH stimulus nanocarriers of quercetin (QU), an anticancer agent, was studied. UiO-66 is a low-toxicity, biocompatible metal–organic framework with a large surface area and good stability, which can be prepared through a facile and inexpensive method. Before and after drug loading, various analyses were conducted to characterize the synthesized nanocarriers. Moreover, Monte Carlo simulations were performed to investigate their structures and interactions with quercetin. The most promising drug loading potential and prolonged drug release (over 25 days) were observed in QU@UiO-66-NO2 with 37% drug loading content, which was the best-tested sample that exhibited a higher release rate under acidic conditions (pH = 5) than that in normal cells (pH = 7.4). This behavior is known as pH-stimulus-controlled ability. The cell treatment with free QU, UiO-66-R, and QU@UiO-66-R (R = −H, −NO2, and −NH2) was performed, and an MTT assay was conducted on HEK-293 and MDA-MB-231 cells for the cytotoxicity study. Additionally, the kinetic modeling of drug release was investigated on the basis of the analysis of the drug release profiles

Synthesis and Application of MOF-808 Decorated with Folic Acid-Conjugated Chitosan as a Strong Nanocarrier for the Targeted Drug Delivery of Quercetin

Herein, MOF-808 (MOF = metal–organic framework) based on zirconium tricarboxylate was synthesized to investigate the influence of decorating groups of folic acid-conjugated chitosan (CS-FA) on drug-delivery efficiency. Quercetin (QU) was loaded on nondecorated MOF-808 and then decorated with a folic acid–chitosan conjugate. The properties and activities of modified MOF-808 were compared with unmodified MOF-808. QU@MOF-808@CS-FA exhibited favorable drug-release properties, high drug-loading capacity, efficient targeting capability, and pH-dependent release behavior, highlighting the critical role of organic modification. A variety of characterization techniques were used to characterize MOF nanoparticles, including Fourier transform infrared, powder X-ray diffraction, field-emission scanning electron microscopy, energy-dispersive X-ray, transmission electron microscopy, Brunauer–Emmett–Teller, ζ potential, and 1H NMR. Additionally, Monte Carlo simulation calculations were carried out to examine the interactions between the structures of MOF-808 and QU. An in vitro cytotoxicity test was conducted, and the results identified that QU@MOF-808@CS-FA demonstrated more superior therapeutics than QU@MOF-808 on FR-positive MCF7 cancerous cells. On the basis of the results, QU@MOF-808@CS-FA is a promising drug carrier by selective targeting and sustained release

MOF-801 as a Nanoporous Water-Based Carrier System for In Situ Encapsulation and Sustained Release of 5‑FU for Effective Cancer Therapy

Nanoporous metal–organic frameworks (MOFs) have been gaining a reputation for their drug delivery applications. In the current work, MOF-801 was successfully prepared by a facile, cost-efficient, and environmentally friendly approach through the reaction of ZrCl4 and fumaric acid as organic linkers to deliver 5-fluorouracil (5-FU). The prepared nanostructure was fully characterized by a series of analytical techniques including Fourier transform infrared spectroscopy, powder X-ray diffraction, field-emission scanning electron microscopy, energy-dispersive X-ray spectroscopy, UV–vis spectroscopy, 1H NMR spectroscopy, thermogravimetric analysis, high-performance liquid chromatography, and Brunauer–Emmett–Teller analysis. MOF-801 could be used for the delivery of the anticancer drug 5-FU due to its high surface area, suitable pore size, and biocompatible ingredients. Based on in vitro loading and release studies, a high 5-FU loading capacity and pH-dependent drug release behavior were observed. Moreover, the interactions between the structure of MOFs and 5-FU were investigated through Monte Carlo simulation calculations. An in vitro cytotoxicity test was done, and the results indicated that 5-FU@MOF-801 was more potent than 5-FU on SW480 cancerous cells, indicating the highlighted role of this drug delivery system. Finally, the kinetics of drug release was investigated

Computational Simulation of CO₂/CH₄ Separation on a Three-Dimensional Cd-Based Metal–Organic Framework

Natural gas purification and biogas recovery require efficient separation of CO2 from CH4, as CH4 is increasingly being recognized as a promising substitute for petroleum due to its environmentally sustainable nature, abundance in natural resources, and economic benefits. In the present work, a 3D Cd-based metal–organic framework, [Cd2(DBrTPA)2(DMF)3] (MUT-11) 2,5-[dibromoterephthalic acid (DBrTPA) and dimethyl formamide (DMF)] was synthesized using a combination of different synthetic methods and fully characterized via several techniques. Additionally, a variety of organic solvents were employed to perform the solvent stability test. The MUT-11 structure was subjected to Grand Canonical Monte Carlo and molecular dynamics simulations to study the adsorption characteristics of CO2 and CH4 gases in both pure and binary states. The results acquired through the simulation-based analysis revealed that the adsorption of CO2 is dominant in all pressure and temperature conditions

Modulating Carbon Dioxide Storage by Facile Synthesis of Nanoporous Pillared-Layered Metal–Organic Framework with Different Synthetic Routes

A Zn­(II)-based paddle wheel pillared-layered metal–organic framework, [Zn2 (DBrTPA)2(DABCO)].(DMF)2 (MUT-4), containing 1,4-diazabicyclo[2.2.2]­octane (DABCO) and 2,5-dibromoterephthalic acid (DBrTPA) has been successfully synthesized with different synthetic methods, including solvothermal, sonochemical, and their mixing methods, some of which are energy-efficient, rapid, and room-temperature synthetic procedures. Structural characterization of MUT-4 with single-crystal X-ray crystallography showed that it crystallizes in the tetragonal I41/acd space group. MUT-4 has shown higher performance than known MOFs in the CO2 adsorption such as UiO-66, UiO-66-NH2, UiO-66-NO2, PCN-66, ZIF-68, UiO-67, bio-MOF-11, MIL-101, MOF-177, ZIF-8, and ZIF-82. It has shown even better CO2 adsorption performance in comparison to the previously reported DMOFs such as DMOF-1 and other DMOF analogues such as NO2-DMOF-1, NH2-DMOF-1, Br-DMOF-1, and Azo-DMOF-1. Furthermore, it has performed even better than modified known MOFs. Also, the carbon dioxide storage capacity of MUT-4 obtained using several different synthetic routes shows a significant difference. Thus, this study exhibited that CO2 gas adsorption of MUT-4 could be modulated by optimizing its synthetic methods

Computational Simulation of a Three-Dimensional Mg-based Metal–Organic Framework as Nanoporous Anticancer Drug Carrier

In this research, a 3D Mg-based metal–organic framework (MUT-8) with the formula [Mg5(DBrTPA)4(DMF)6(HCOO)2] [DBrTPA = 2,5-dibromoterephthalic acid] was prepared through a solvothermal reaction with and without ultrasonic radiation. Single-crystal X-ray crystallography was used to solve the crystal structure, and several techniques were employed to characterize the structure thoroughly. Moreover, an investigation was carried out to evaluate the solvent stability of MUT-8 across a range of organic solvents. Furthermore, computational simulations were employed to assess the drug-loading capabilities and the capacity of MUT-8. Based on Grand Canonical Monte Carlo simulations (GCMC), MUT-8 was determined to be an effective nanoporous drug carrier for the Quercetin anticancer drug, exhibiting significant uptake even at extremely low fugacity levels and achieving a saturation loading of 300 mg/mg

Computational Study of Two Three-Dimensional Co(II)-Based Metal–Organic Frameworks as Quercetin Anticancer Drug Carriers

Two three-dimentional Co-based metal–organic frameworks with the formulae of [Co3(2-BrTPA)3].(DMF)4 (MUT-6) and [Co5(DBrTPA)4(DMF)6(HCOO)2] (MUT-7) [2-BrTPA = 2-bromoterephthalic acid, DBrTPA = 2,5-dibromoterephthalic acid] were synthesized through various synthetic techniques. The structures were fully characterized using a series of techniques, and the crystal structures were solved using single-crystal X-ray crystallography. Furthermore, the solvent stability test was conducted in various organic solvents. Using grand canonical Monte Carlo simulations, MUT-7 was proven to be a good candidate as a drug carrier for the quercetin anticancer drug because it shows remarkable uptake starting to adsorb at very low fugacity values and reaching a saturation loading as high as 200 mg/g