Multifunctional Metal-organic Frameworks Research Articles

A novel treatment modality for rheumatoid arthritis: Inflammation-targeted multifunctional metal-organic frameworks with synergistic phototherapy and chemotherapy

Rheumatoid arthritis (RA) is an autoimmune inflammatory disease with complex pathogenesis. Single chemotherapy struggles to eliminate the disease permanently and reduce the pain owing to drug resistance and inadequate delivery to target cells. This study developed hyaluronic acid (HA)-modified and methotrexate (MTX)-load metal-organic frameworks (denoted as FT-HA-MTX NPs), combining photothermal therapy (PTT), photodynamic therapy (PDT), and chemotherapy to inhibit the progression of RA. In vitro experiments proved that the obtained NPs exhibited good biocompatibility and commendable photothermal conversion efficiency of 36.3 %. Additionally, they promoted ∙OH and O2 production via the Fenton reaction, which dramatically alleviated hypoxia and enhanced ROS generation, and induced substantial mortality in activated RAW 264.7 cells, with cell viability of 31.72 %. Cellular uptake and in vivo imaging confirmed that the modification of HA enabled the NPs to specifically target activated macrophage, ensured prolonged retention of NPs in inflamed synovial tissues, and reduced systemic toxicity. In vivo, after FT-HA-MTX NPs treatment with laser irradiation, the levels of TNF-α and IL-1β in the synovial tissue were reduced by approximately 50 % compared to those in the inflamed synovium, demonstrating a significant enhancement in the anti-inflammatory effect (p < 0.001). In conclusion, FT-HA-MTX NPs are promising inflammation-targeted multifunctional nanoparticles that combine PTT, PDT, and chemotherapy, thereby significantly inhibiting the progression of RA while reducing systemic toxicity.

A Multimode Optical Sensor for Selective and Sensitive Detection of Harmful Heavy Metal Cr(VI) in Fresh Water and Sea Water.

Water pollution originating from heavy metals has shown great impacts on the ecological environment and human health due to their extremely low biodegradability. Hexavalent chromium Cr(VI), as one harmful heavy metal with strong oxidation, high biological permeability, and high carcinogenicity, is becoming an increasingly serious threat to human health. Therefore, conveniently but accurately, monitoring the Cr(VI) level in water to maintain its normal level and ensuring the stability of the ecosystem and human health become very valuable. However, most of these heavy metal sensors reported are turn-off type single-emission sensors. In this work, a ratiometric fluorescence/colorimetry/smartphone triple-mode turn-on optical sensor for Cr(VI) was developed based on a multifunctional metal-organic framework platform. The detection limits for these three mutual verification modes were only 1.28, 4.89, and 68.4 nM, respectively. Additionally, the color changes of the detection system under sunlight can also be observed directly by the naked eye. The accuracy and practicability of this multimode sensor were further proved by the detection of Cr(VI) in actual water and seawater samples, and the recovery rate ranged from 97.308 to 104.041%.

Recycling waste plastic to construct ultra-stable and multifunctional metal-organic framework for fast efficient dye adsorption and acetone vapor detection

Plastic pollution and water pollution are currently two major environmental problems. Exploring a strategy that can convert waste plastics into high value-added functional materials will be an effective solution to relieve above issues. Herein, we realized that the waste plastic of polyethylene terephthalate (PET) was converted into ultra-stable and multifunctional 3D pillared-layer Eu-based metal-organic framework (MOF) material (labelled as Eu-PET) through one-pot solvothermal method. The effects of reaction conditions on the waste plastic PET upcycling were explored in detail. The Eu-PET exhibits excellent Congo red (CR; Concentration: 1 g/L) adsorption capacity of 2312 mg/g in 2 hours at nature pH (2988.11 mg/g at pH = 4). Moreover, the influence parameters containing dye concentration, adsorbent dosage, pH, temperature and simulated dye wastewater were studied. The adsorption mechanism was explained by pseudo-second order and Langmuir models, revealing the adsorption of CR on Eu-PET was mainly defined by electrostatic interaction, hydrogen bonding interaction and π-π interaction. Furthermore, Eu-PET as fluorescent sensor, a portable Eu-PET fluorescent film was developed. Experiments have shown that a noticeable fluorescent quenching response occurred within 10 seconds contact to acetone vapor, and the theoretically detectable limit (LOD) was as low as 0.048% (v/v), and Eu-PET/acetone system was static quenching. Finally, Eu-PET has excellent water, acid-base and thermal stability, and recyclability over 7 cycles of CR adsorption and acetone detection. This work opens an avenue for the green recycling/utilization of plastic waste, providing meaningful insights into the effective processing of dyes wastewater and fluorescence sensing of volatile organic compounds.

Solar Gas-Phase CO2 Hydrogenation by Multifunctional UiO-66 Photocatalysts.

Solar-assisted CO2 conversion into fuels and chemical products involves a range of technologies aimed at driving industrial decarbonization methods. In this work, we report on the development of a series of multifunctional metal-organic frameworks (MOFs) based on nitro- or amino-functionalized UiO-66(M) (M: Zr or Zr/Ti) supported RuOx NPs as photocatalysts, having different energy band level diagrams, for CO2 hydrogenation under simulated concentrated sunlight irradiation. RuOx(1 wt %; 2.2 ± 0.9 nm)@UiO-66(Zr/Ti)-NO2 was found to be a reusable photocatalyst, to be selective for CO2 methanation (5.03 mmol g-1 after 22 h;, apparent quantum yield at 350, 400, and 600 nm of 1.67, 0.25, and 0.01%, respectively), and to show about 3-6 times activity compared with previous investigations. The photocatalysts were characterized by advanced spectroscopic techniques like femto- and nanosecond transient absorption, spin electron resonance, and photoluminescence spectroscopies together with (photo)electrochemical measurements. The photocatalytic CO2 methanation mechanism was assessed by operando FTIR spectroscopy. The results indicate that the most active photocatalyst operates under a dual photochemical and photothermal mechanism. This investigation shows the potential of multifunctional MOFs as photocatalysts for solar-driven CO2 recycling.

Dual-Track Multifunctional Bimetallic Metal-Organic Frameworks for Antibiotic Enrichment and Detection.

The improper use and overuse of antibiotics have led to significant burdens and detrimental effects on the environment, food supply, and human health. Herein, a magnetic solid-phase extraction program and an optical immunosensor based on bimetallic Ce/Zr-UiO 66 for the detection of antibiotics are developed. A magnetic Fe3O4@SiO2@Ce/Zr-UiO 66 metal-organic framework (MOF) is prepared to extract and enrich chloramphenicol from fish, wastewater, and urine samples, and a horseradish peroxidase (HRP)-Ce/Zr-UiO 66@bovine serum protein-chloramphenicol probe is used for the sensitive detection of chloramphenicol based on the dual-effect catalysis of Ce and HRP. In this manner, the application of Ce/Zr-UiO 66 in integrating sample pretreatment and antibiotic detection is systematically investigated and the associated mechanisms are explored. It is concluded that Ce/Zr-UiO 66 is a versatile dual-track material exhibiting high enrichment efficiency (6.37mg g-1) and high sensitivity (limit of detection of 51.3 pg mL-1) for chloramphenicol detection and serving as a multifunctional MOF for safeguarding public health and hygiene.

Multifunctional Metal-Organic Frameworks as Catalysts for Tandem Reactions.

Owing to well-defined structure as well as easy synthesis and modification, metal-organic frameworks (MOFs) have emerged as promising catalysts for tandem reactions. In this article, we aim to summarize the development of multifunctional MOFs, including mixed metal MOFs, MOFs that are synergistically catalyzed by metal nodes and organic linkers, MOFs loaded with metal nanoparticles, etc, as heterogenous catalysts for tandem reactions over the past five years. This concept briefly discusses on present challenges, future trends, and prospects of multifunctional MOFs catalysts in tandem reactions.

One-step in situ preparation of Zr(Ti)-MOFs on titanium alloys at a low temperature of 80°C and atmospheric pressure

Preparing metal-organic frameworks (MOFs) film in situ on the surface of the Ti-6Al-4V (TC4) titanium alloy is challenging owing to the dense and stable surface TiO2 passive film. In this study, titanium-doped zirconium-based MOFs (Zr(Ti)-MOFs) film was constructed in situ on the TC4 alloy in one step at a low temperature and atmospheric pressure, with ZrCl4 as the source of Zr metal ions. ZrCl4 attacked and dissolved the TiO2 film to form Zr-O-Ti bonds on the surface of TC4 to provide nucleation sites for further reactions. At the same time, Zr4+ and dissolved Ti4+ combined in solution to form Ti containing Zr-O cluster nodes, which aggregated and grafted to the Zr-O-Ti bonds on the substrate surface, and reacted with organic ligands (terephthalic acid) to form Zr(Ti)-MOFs film. The Ti4+ dissolved from the TC4 participate in the Zr-MOFs formation, thereby changing the high temperature and high-pressure conditions required for the traditional preparation of Zr-MOFs (UiO-66). The in situ preparation of Zr(Ti)-MOFs on TC4 was achieved at 80 °C under atmospheric pressure conditions. This study elucidated the growth mechanism of Zr(Ti)-MOFs on the TC4 surface, providing a reference for the design and In-situ preparation of multifunctional MOFs on the TC4 titanium alloy.

Bifunctional two-dimensional copper-organic framework for high catalytic performance on cycloaddition of CO2 with epoxides and deacetalization-Knoevenagel condensation

Due to the larger external surface areas and more accessible active sites, two-dimensional (2D) metal-organic frameworks (MOFs) have aroused great interest in the catalytic field. Herein, the exquisite combination of Cu2+ and designed flexible tetracarboxylic acid of 1,1′-(1,3-phenylenebis(methylene))bis(1H-benzo[d]imidazole-5,6-dicarboxylic acid) (H4PBDA) under the solvothermal condition offers a highly robust 2D network of [Cu(H2PBDA)(H2O)]n (NUC-130), which are interlaced via hydrogen-bonding interactions to form a 3D skeleton. After removing associated solvent molecules by activation, NUC-130a is a scarcely reported Lewis acid/Brönsted acid mediated host framework, which can serve as a promising multifunctional catalyst due to the plentiful active sites including exposed penta-coordinated Cu2+ ions, Brønsted acidic sites of -COOH, and Lewis basic sites of Nbenzimidazole atoms and C=O groups. Performed experiments confirmed that NUC-130a had the high catalytic performance on the cycloaddition of CO2 with a series of epoxide derivatives under solvent-free mild conditions. Furthermore, for deacetalization-Knoevenagel condensation based on acid-base catalysis, NUC-130a also shows excellent catalytic activity, which should be ascribed to that dimethyl acetal can be more effectively hydrolyzed by free -COOH group into formyl group than simple Lewis acidic metal sites. Hence, this work not only provides a type of promising catalyst for efficient chemical fixation of CO2 and deacetalization-Knoevenagel condensation, but also opens up an avenue to creating multifunctional MOFs with integrating multiple active sites and larger external surface areas.

Tumor cells are under siege from all sides: Tumor Cell-Mimic Metal−Organic framework nanoparticles triggering Cuproptosis/Ferroptosis/Apoptosis for Chemo-Chemodynamic-Photothermal-Immunological synergistic antitumor therapy

Combination therapy harnessing multiple cell death mechanisms has emerged as a promising approach for cancer treatment. However, the optimization of therapeutic synergies when integrating different modalities remained a challenge. In response, we have developed a multifunctional copper (Cu)-based metal–organic framework (MOF) nanoparticle loaded with mitoxantrone (MTO) and axitinib (AXB) incorporating tumor cell membrane (termed as M/A@MOF@CM) for synergistic cuproptosis/ferroptosis/apoptosis anticancer therapy. M/A@MOF@CM exhibited a diverse range of therapeutic activities, such as chemotherapy, photothermal therapy (PTT), and chemodynamic therapy (CDT), thereby enhancing immunogenic cell death (ICD) for potential immunotherapy. As a consequence, the comprehensive approach led to a substantial 86.45 % inhibition in primary tumor and a noteworthy 65.61 % suppression in distant tumors. This work constructs a multifunctional MOF nanoparticle, achieving “tumor cells are under siege from all sides”, which potentially ushers in a new era in the realm of MOF-based synergistic cancer therapy platforms.

Applications of multifunctional metal–organic frameworks in perovskite photovoltaics: roles, advantages and prospects

Recent progress of applications of multifunctional MOFs in achieving efficient, durable and eco-friendly perovskite photovoltaics is systematically reviewed, and the profound prospects of MOFs inadvancing development of optoelectronics are outlined.

Nanoporous {Co3}-Organic framework for efficiently seperating gases and catalyzing cycloaddition of epoxides with CO2 and Knoevenagel condensation

Enhancing the catalysis of metal–organic frameworks (MOFs) by regulating inherent Lewis acid-base sites to realize the efficient seperation and chemical fixation of inert carbon dioxide (CO2) is crucial but challenging. Herein, the solvothermal self-assembly of Co2+, 5′-(4-carboxy-2-nitrophenyl)-2,2′,2′',4′,6′-pentanitro-[1,1′:3′,1′'-terphenyl]-4,4′'-dicarboxylic acid (H3TNBTB) and 4′-phenyl-4,2′:6′,4′'-terpyridine (PTP) generated a highly robust cobalt-organic framework of {[Co3(TNBTB)2(PTP)]·7DMF·6H2O}n (NUC-82). In NUC-82, the tri-core clusters of {Co3} with linear shape are bridged by TNBTB3– to form two-dimensional structure in ac plane, which is further linked by PTP to generate a three-dimensional framework with two kinds of solvent-accessible channels: rhombic-like (ca. 11.57 × 10.76 Å) along a axis and rectangular-like (ca. 7.32 × 11.56 Å) along b axis. Furthermore, it is worth emphasizing that the confined pore environments are characterized by plentiful Lewis acid-base sites of tricobalt clusters, grafted nitro groups and free pyridinyl, high specific surface area and solvent-free nano-caged windows. Activated NUC-82a owns the ultra-high ethylene (C2H2) separation performance over the mixture of C2H2/CH4 and CO2/CH4 with the selectivity of 223.1 and 44.7. Thanks to the great Lewis-acid sites as well as the large pore volume, activated NUC-82a displays the high catalytic performace on the cycloaddition of CO2 with epoxides under wield condtions such as amibient pressure. Furthermore, because of the rich Lewis base sites, NUC-82a can efficiently catalyze Knoevenagel condensation of aldehydes and malononitrile. In the above organic reactions, NUC-82a not only shows the high catalytic activity, but also exhibits the high selectivity, satifactory recyclability and easy-to-separate heterogeneity, confirming that NUC-82a is a promising catalyst. Hence, this work provides in-depth insight into the construction of multifunctional MOFs by modifying the traditional ligands with as many Lewis acid-base active sites as possible.

Antibacterial, anti-inflammatory, rapid hemostasis, and accelerated repair by multifunctional metal–organic frameworks fibrous scaffolds for diabetic wounds

Excessive inflammation, bacterial infection, persistent bleeding, and wound exudate accumulation are common in diabetic wounds, impeding cell proliferation and disturbing tissue remodeling, making it difficult for diabetic wounds to heal. The rapid hemostasis and reduction of bacterial infection, as well as the excessive infiltration of inflammatory factors, serve as key strategies for diabetic wound healing. In this study, Taxifolin (TAX) was loaded onto cyclodextrin metal–organic frameworks (CD-MOFs), which were subsequently loaded into polycaprolactone (PCL) scaffolds via electrostatic spinning to construct multifunctional electrospun fibrous membranes (EFMs) with antimicrobial, anti-inflammatory, hemostatic, and wound exudate-absorbent properties. The resulting EFMs exhibited a hydrophilic surface, which facilitated wound adhesion and enhanced its hemostatic properties. By aggregating the wound exudate and triggering a cascade release of TAX, bacterial infection in the wound was reduced, decreasing the expression of inflammatory factors. This also promoted collagen deposition, vascular regeneration, and myofibroblast contraction and migration and facilitated the remodeling and repair of the wound tissue. These results demonstrated that designed fibrous scaffolds could effectively accelerate the repair process of diabetic mice, providing a new strategy for the treatment of diabetic wounds.

Multifunctional metal–organic frameworks nanoengineered laser-induced graphene for health electronics

Laser-induced graphene (LIG) has great application potential in flexible electronics. Incorporating other functional nanomaterials into LIG is an important way to improve its performance. However, there are few studies on in-situ modification of LIG morphology by nanomaterials to improve its performance. Herein, to modify the morphology of LIG films, NiCo-metal–organic frameworks (NiCo-MOFs) were added to the LIG precursors to participate in the carbonization forming process of LIG films for the first time, and the NiCo nanoporous carbon (NiCo-NPC)/LIG films with cauliflower-like surface microstructure were obtained. Since the formation process of LIG is affected by the carbonization of NiCo-MOFs, the NiCo-NPC/LIG film has a fluffier porous structure and rougher surface morphology than that of the LIG film. Therefore, the NiCo-NPC/LIG-based flexible piezoresistive sensor exhibits an ultra-high sensitivity of 226 kPa−1 in 0–45 kPa, which is 54 % higher than that of the LIG-based sensor. Meanwhile, the NiCo-NPC/LIG film exhibits an electromagnetic interference (EMI) shielding effectiveness of 171 dB/mm in the band of 8.2–12.4 GHz, which is 104 % higher than that of the corresponding LIG film. In addition, the NiCo-NPC/LIG-based Joule heater exhibits fast response and good flexibility. The experimental results indicate that using MOFs additives to modify the morphology of LIG in situ can effectively improve LIG performance, which provides a new way for developing high-performance LIG-based composite films.

Design, transport efficiency and structure-activity relationship of sulfonated poly (aryl ether ketone) proton exchange membrane based on multi-functional MOFs

In this paper, two kinds of metal-organic frameworks (MOFs) with proton conduction capability were successfully prepared and added into sulfonated poly (ether ketone sulfone) (C-SPAEKS) by organic-inorganic blending. Then two different series of proton exchange membranes (PEMs) were fabricated. The template used in MOFs was UiO-66-NH2 (UN), by introducing sulfonic acid groups and imidazole groups on the template, additional proton sources and proton transport sites were constructed. Such multifunctional MOFs contributed greatly to the proton transport efficiency and structure-activity relationship of C-SPAEKS. The sulfonic acid functionalized MOFs (USN), sulfonic-acid-imidazole bifunctional MOFs (IUSN) and composite PEMs were characterized by XRD, XPS, FT-IR, 1H NMR and SEM. The prepared PEMs all have excellent proton conductivity, in which the proton conductivity of C-SPAEKS/IUSN-3% could reach 0.234 S cm−1 (80 °C and 100% relative humidity). Nafion117 had a conductivity of 0.105 S cm−1 (80 °C and 100% relative humidity), so C-SPAEKS/IUSN-3% exhibited a great enhancement on proton conductivity. Moreover, the oxidation stability of C-SPAEKS/IUSN-3% membrane was 96.97%, which was 39.32% higher than that of C-SPAEKS. These results all indicated that the as-prepared MOFs have made great contribution to improving the comprehensive properties of the sulfonated poly (aryl ether ketone) proton exchange membrane.

Computational Discovery for Crafting Multi-Dimensional and Multi-Functional Metal–Organic Framework Composites

Computational Discovery for Crafting Multi-Dimensional and Multi-Functional Metal–Organic Framework Composites

A new 3D interpenetrating diamond-like MOF as a catalyst for enhanced degradation of antibiotics: Kinetics and mechanistic studies

In keeping with our current interest in pyridine-based multifunctional metal-organic frameworks (MOFs), we presented a Zn(II)-based MOF [Zn(HL) (bpe)] (1) by the employment of pyridine ligand and flexible aromatic carboxylic acid. The single-crystal X-ray diffraction analysis reveals that 1 shows 6-connected diamond net with a Schläfli symbol of (66). Furthermore, MOF1 was employed as a photocatalyst for the oxidation of hazardous antibiotic molecules viz. Nitrofurazone (NFZ), dimetridazole (DTZ), and oxytetracycline (OXY) in an aqueous medium, amongst which the MOF exhibited the best photocatalytic decomposition performance against NFZ with a degradation efficiency of 82.63%.The Hirshfeld surfaces analysis demonstrated that this synthesized MOFs contain various forms of intermolecular contacts (C⋯C, H⋯C, H⋯H, and O⋯H).

A multi-functionalized MOF with unique molecular-sized pockets for excellent lead(II) removal and selective separation of C3H8/CH4

Design and synthesis of metal-organic frameworks (MOFs) with functional pore environments are of critical significance for the development of the porous adsorbents to solve energy and environmental crises. Herein, we utilized the structural and coordinated characteristics of adenine (HAD) ligands to develop a multi-functional MOF material (JLU-MOF68) with unique molecular-sized pockets for gas separation and Pb2+ removal. Benefiting from the internal surface environment and the size of 4.6–5.9 Å of the molecular pockets, JLU-MOF68 exhibited ultrahigh C3H8/CH4 selectivity coupled with the relatively high adsorption capacity of C3H8. Both N sites and extraframework organic cations were conducive to the adsorption of Pb2+ through weak chemical coordination and ion exchange, respectively. The activated JLU-MOF68 showed not only an ultrahigh Pb2+ adsorption capacity of 805 mg g−1, but also exceptionally high Pb2+ removal efficiency under the condition of different pH and coexisting ions. Moreover, the adsorbent can be reused at least five times, and the removal efficiency remains almost constant after five cycles. Therefore, JLU-MOF68 had a wide potential application for the C3H8/CH4 selective separation and capture of Pb2+.

Stimuli-Responsive Design of Metal-Organic Frameworks for Cancer Theranostics: Current Challenges and Future Perspective.

Scientific fraternity revealed the potential of stimuli-responsive nanotherapeutics for cancer treatment that aids in tackling the major restrictions of traditionally reported drug delivery systems. Among stimuli-responsive inorganic nanomaterials, metal-organic frameworks (MOFs) have transpired as unique porous materials displaying resilient structures and diverse applications in cancer theranostics. Mainly, it demonstrates tailorable porosity, versatile chemical configuration, tunable size and shape, and feasible surface functionalization, etc. The present review provides insights into the design of stimuli-responsive multifunctional MOFs for targeted drug delivery and bioimaging for effective cancer therapy. Initially, the concept of cancer, traditional cancer treatment, background of MOFs, and approaches for MOFs synthesis have been discussed. After this, applications of stimuli-responsive multifunctional MOFs-assisted nanostructures that include pH, light, ions, temperature, magnetic, redox, ATP, and others for targeted drug delivery and bioimaging in cancer have been thoroughly discussed. As an outcome, the designed multifunctional MOFs showed an alteration in properties due to the exogenous and endogenous stimuli that are beneficial for drug release and bioimaging. The several reported types of stimuli-responsive surface-modified MOFs revealed good biocompatibility to normal cells, promising drug loading capability, target-specific delivery of anticancer drugs into cancerous cells, etc. Despite substantial progress in this field, certain crucial issues need to be addressed to reap the clinical benefits of multifunctional MOFs. Specifically, the toxicological compatibility and biodegradability of the building blocks of MOFs demand a thorough evaluation. Moreover, the investigation of sustainable and greener synthesis methods is of the utmost importance. Also, the low flexibility, off-target accumulation, and compromised pharmacokinetic profile of stimuli-responsive MOFs have attracted keen attention. In conclusion, the surface-modified nanosized design of inorganic diverse stimuli-sensitive MOFs demonstrated great potential for targeted drug delivery and bioimaging in different kinds of cancers. In the future, the preference for stimuli-triggered MOFs will open a new frontier for cancer theranostic applications.

MnO2 Decorated Metal-Organic Framework-Based Hydrogel Relieving Tumor Hypoxia for Enhanced Photodynamic Therapy.

Photodynamic therapy (PDT) has emerged as a promising cancer treatment modality; however, its therapeutic efficacy is greatly limited by tumor hypoxia. In this study, a metal-organic framework (MOF)-based hydrogel (MOF Gel) system that synergistically combines PDT with the supply of oxygen is designed. Porphyrin-based Zr-MOF nanoparticles are synthesized as the photosensitizer. MnO2 is decorated onto the surface of the MOF, which can effectively convert H₂O₂ into oxygen. Simultaneously, the incorporation of MnO2 -decorated MOF (MnP NPs) into a chitosan hydrogel (MnP Gel) serves to enhance its stability and retention at the tumor site. The results show that this integrated approach significantly improves tumor inhibition efficiency by relieving tumor hypoxia and enhancing PDT. Overall, the findings underscore the potential for employing nano-MOF-based hydrogel systems as promising agents for cancer therapy, thus advancing the application of multifunctional MOFs in cancer treatment.

Robust Zn(II)-Organic Framework for High Catalytic Activity on Cycloaddition of CO2 with Epoxides and Reversible Iodine Uptake

Increasingly serious natural disasters caused by excessive CO2 emission have given birth to a series of carbon-neutral technologies, among which the chemical transformation of CO2 catalyzed by metal–organic framework (MOF)-based catalysts has become a focus. Herein, the self-assembly of zinc(II) cation and designed flexible multifunctional ligand of 1,3-di(5,6-dicarboxylbenzimidazol-1-ylmethyl)benzene (H4DDBB) generated a highly robust microporous material of {[Zn(H2DDBB)]·2NMP}n (NUC-69) with 1D rectangle open channels (10.0 × 7.6 Å2). Because the inner wall of voids is densely functionalized by free −COOH groups, Nimidazole atoms, and tetra-coordinated open metal sites, activated NUC-69a exhibits high catalytic performance on the cycloaddition reactions of CO2 with epoxides under mild conditions with high turnover number and turnover frequency. In addition, NUC-69a can be used as an efficient iodine adsorbent with a maximum adsorption capacity of 0.94 g/g (4.26 I2 molecules per formulation unit) and 1.28 g/g (5.81 I2 molecules per formulation unit) in hexane solution and the volatilization phase. Hence, this work provides a productive insight into the design of multifunctional microporous MOFs by enhancing the types of active sites, which makes the developed materials a broader application prospect.