Search Results (450)

Metal–Organic Frameworks (MOFs) have emerged as advanced porous crystalline materials due to their highly ordered structures, ultra-high surface areas, fine-tunable pore sizes, and massive chemical diversity. These features, arising from the coordination between an almost unlimited number of metal ions/clusters and organic linkers, have resulted in significant interest in MOFs for applications in gas storage, catalysis, sensing, energy, and biomedicine. Beyond their stand-alone properties and applications, recent research has increasingly explored the integration of MOFs with other substrates, particularly electrodes, polymeric thin films, and glass surfaces, to create synergistic effects that enhance material performance and broaden application potential. Coating MOFs onto these substrates can yield significant benefits, including, but not limited to, improved sensitivity and selectivity in electrochemical sensors, enhanced mechanical and separation properties in membranes, and multifunctional coatings for optical and environmental applications. This review provides a comprehensive and up-to-date summary of recent advances (primarily from the past 3–5 years) in MOF coating techniques, including layer-by-layer assembly, in situ growth, and electrochemical deposition. This is followed by a discussion of the representative applications arising from MOF-substrate coating and an outline of key challenges and future directions in this rapidly evolving field. This article aims to serve as a focused reference point for researchers interested in both fundamental strategies and applied developments in MOF surface coatings. Full article

Monkeypox virus (MPXV) has caused 148,892 confirmed cases and 341 deaths from 137 countries worldwide, as reported by the World Health Organization (WHO), highlighting the urgent need for effective vaccines to prevent the spread of MPXV. Traditional vaccine development is low-throughput, expensive, time consuming, and susceptible to reversion to virulence. Alternatively, a reverse vaccinology approach offers a rapid, efficient, and safer alternative for MPXV vaccine design. Here, MPXV proteins associated with viral infection were analyzed for immunogenic epitopes to design multi-epitope vaccines based on B-cell, CD4+, and CD8+ epitopes. Epitopes were selected based on allergenicity, antigenicity, and toxicity parameters. The prioritized epitopes were then combined via peptide linkers and N-terminally fused to various protein adjuvants, including PADRE, beta-defensin 3, 50S ribosomal protein L7/12, RS-09, and the cholera toxin B subunit (CTB). All vaccine constructs were computationally validated for physicochemical properties, antigenicity, allergenicity, safety, solubility, and structural stability. The three-dimensional structure of the selected construct was also predicted. Moreover, molecular docking and molecular dynamics (MD) simulations between the vaccine and the TLR-4 immune receptor demonstrated a strong and stable interaction. The vaccine construct was codon-optimized for high expression in the E. coli and was finally cloned in silico into the pET21a (+) vector. Collectively, these results could represent innovative tools for vaccine formulation against MPXV and be transformative for other infectious diseases. Full article

Plastic waste and water pollution demand circular economy-driven innovations. This review examines metal–organic framework (MOF) synthesis from polyethylene terephthalate (PET) waste for wastewater treatment. Depolymerized PET yields terephthalic acid and ethylene glycol—essential MOF precursors. We evaluate the following: (1) PET depolymerization (hydrolysis, glycolysis, ammonolysis) for monomer recovery efficiency; (2) MOF synthesis (solvothermal, microwave, mechanochemical) using PET-derived linkers; (3) performance in adsorbing heavy metals, dyes, and emerging contaminants. PET-based MOFs match or exceed commercial adsorbents in pollutant removal while lowering costs. Their tunable porosity and surface chemistry enhance selectivity and capacity. By converting waste plastics into functional materials, this strategy tackles dual challenges: diverting PET from landfills and purifying water. The review underscores the environmental and economic benefits of waste-sourced MOFs, proposing scalable routes for sustainable water remediation aligned with zero-waste goals. Full article

Metal–organic frameworks (MOFs) are a novel type of porous crystalline materials assembled from metal ions and organic linkers. Their derivatives can inherit characteristics such as high specific surface area, tunable porosity, and unique topological structures, which make MOF-derived metal oxides ideal catalysts for the selective catalytic reduction (SCR) of NO_x. This review focuses on the synthetic strategies of MOF-derived metal oxides and the latest progress of oxides derived from various typical MOFs materials (including MILs, ZIFs, UiO, BTC series, MOF-74, MOF-5, and Prussian blue analogs, etc.) in the catalytic reduction in NO_x, and analyzes the mechanisms for the enhanced catalytic performance. In addition, the challenges and prospects of MOF derivatives in catalytic applications are discussed. It is hoped that this review will help researchers understand the latest research progress of MOF-derived metal oxide materials in the catalytic removal of NO_x pollution. Full article

A novel metal–organic framework based on zinc ions, designated as Zn-URJC-12, has been synthesized and applied for the first time in the cycloaddition reaction between carbon dioxide and epoxides. This MOF is constructed from two different organic linkers: 5-aminoisophthalic acid and 4,4′-biphenyldicarboxylic acid. The framework features –NH₂ functional groups coordinated to Zn(II) centers, as confirmed by single-crystal X-ray diffraction analysis. Zn-URJC-12 demonstrates exceptional chemical stability in polar organic solvents, such as methanol, while maintaining thermal stability up to 250 °C. The material exhibits high catalytic efficiency in the cycloaddition of CO₂ with epoxides, achieving yields of 100% and 76% for propylene oxide and allyl glycidyl ether, respectively. Additionally, Zn-URJC-12 maintains its structural integrity and catalytic performance during five successive reaction cycles. These findings underscore Zn-URJC-12 as a promising heterogeneous catalyst for the valorization of CO₂ into cyclic carbonates. Full article

The title compound, 4-(4-formyl-3,5-dimethoxyphenoxy)butyric acid (BAL), is an important “handle” for solid-phase synthesis of peptides and related compounds. Reported here is an X-ray single crystal structural analysis of BAL. The molecule is almost entirely flat, and the crystal is held together by π-stacking and hydrogen bonding. Full article

Infectious laryngotracheitis (ILT) is a severe upper respiratory disease highly contagious in chickens that causes a huge economic impact on the poultry industry all over the world. The current study aimed to design a multi-epitope-based vaccine candidate using envelope glycoprotein B and glycoprotein D of the ILT virus using an immune informatics approach. The glycoproteins B and D are crucial for attachment as well as entry of ILT virus inside the cell, which makes them a potential option for designing vaccine candidates. The prediction of epitopes, viz. helper T lymphocyte, cytotoxic T lymphocyte and interferon-gamma producing epitopes, was performed and high-scoring predicted epitopes were joined in an organized manner using suitable linkers to design the final vaccine candidate. The avian beta-defensin 1 was included as an adjuvant in the amino-terminal of the vaccine design that possesses antimicrobial activity and histidine residues at the carboxy-terminal for the purpose of purification. The final vaccine candidate was evaluated for its physicochemical characteristics, solubility, antigenicity, stability, and allergenicity and validated for its modeling. Molecular docking, binding affinity, and interacting residues between the vaccine candidate and immune receptors, viz. TLR 3, MHC Class I and Class II were assessed. Further, to assess the immune response profile generated by the final vaccine design, an insilico immune simulation study was also performed. The findings of this study revealed that the final vaccine candidate was antigenic, nonallergenic, stable, interacted with immune receptors, and able to produce antibodies as well as cellular immune responses against ILTV infection. Full article

Psychostimulants such as methamphetamine (Meth) induce high dopamine (DA) levels in the brain, which can modify immune cells expressing DA receptors. This is relevant in conditions of infection with the human immunodeficiency virus (HIV), overlapping with substance use. However, the effects of DA on HIV latency phenotypes are largely unknown. We used single-cell methods and gene network computational analysis to understand these relationships, using the U1 latent promonocyte model to identify signatures of latency and its reversal in the context of DA exposure. Our findings point to mechanisms by which high DA levels in the brains of substance users may impact HIV transcription and neuroinflammation. Our data indicate that latency is maintained along with the expression of histone linkers and components of chromatin organization, with increased metabolic pathways that may lead to pathways in neurodegeneration. DA exposure decreased latency signature genes, histone linkers, and protein-containing complex organization components, unleashing inflammatory pathways and HIV gene transcription. Overall, this work suggests that DA can induce latency reversal through mechanisms that can be harnessed to drive cells. The proposed methods developed here in cell lines can be used to identify latency signatures in other HIV infection systems. Full article

Recently, the emerging class of hydroxamate-based metal–organic frameworks (MOFs) has demonstrated significant structural diversity and chemical robustness, both essential for potential applications. Combining the favorable hard–hard Bi-O interactions and chelating chemistry of hydroxamate groups, a rigid and symmetrical three-dimensional bismuth-hydroxamate metal–organic framework was successfully prepared via solvothermal synthesis and structurally elucidated via X-ray crystallography. The MOF, namely SUM-91 (SUM = Sichuan University Materials), features one-dimensional Bi-oxo secondary building blocks (SBUs), which are bridged by chelating 1,4-benzenedihydroxamate linkers. With the demonstrated permanent porosity and molecular sieving effect (CO₂ vs. N₂), SUM-91 was also found to be stable under harsh chemical conditions (aqueous solutions with pH = 2–12 and various organic solvents). As the structural robustness of SUM-91 could be attributed to the finetuning of the coordinative sphere of Bi centers, this work shed light on the further development of (ultra-)microporous materials with high stability and selective adsorption properties. Full article

The efficient separation of light hydrocarbons, particularly alkanes from their isomers (C₅–C₆), represents a significant and energy-intensive challenge for the petrochemical industry. Metal-Organic Frameworks (MOFs) offer promising solutions due to their exceptional porosity, surface area, and, crucially, their structural and chemical tunability. This study employs advanced computational methods, including Grand Canonical Monte Carlo (GCMC) simulations and Molecular Dynamics (MD), to systematically investigate the adsorption and separation of pentane isomers (n-pentane, isopentane, and neopentane) in the UiO-66 MOF family. Specifically, the impact of organic linker functionalization with -H (parent), -NH₂, -CH₃, and -COOH groups on adsorption isotherms, isosteric heats, and competitive behavior in mixtures is evaluated. The analysis provides a molecular-level view of host-guest and guest-guest interactions, elucidating the recognition and selectivity mechanisms governing the separation of these C5 isomers and the potential for engineering MOF materials for this application. Full article

Metal–organic frameworks (MOFs), formed by the self-assembly of metal ions/clusters and organic linkers, have attracted considerable attention due to their well-exposed active sites, exceptionally high porosity, and diversified pore architectures. MOF-derived materials obtained through high-temperature pyrolysis or composite structural design not only inherit the porous framework advantages of their precursors but also demonstrate significantly enhanced electrical conductivity and structural stability via the formation of carbon-based frameworks and in situ transformation of metallic species. However, conventional MOF-derived materials struggle to address persistent technical challenges in contemporary energy storage systems, particularly those requiring ultralong cycling stability and ultrahigh-rate capability under practical operating conditions. The integration of MXene, characterized by its abundant surface functional groups (-O, -OH, -F) and exceptional electrical conductivity, with MOF-derived materials presents a viable strategy to address these challenges. Multidimensional nanocomposites constructed through in situ growth and self-assembly techniques synergistically integrate MXene’s conductive network scaffolding effect with the structural tunability of MOF-derived frameworks. This unique architecture enables the following: (i) enhanced exposure of electroactive sites, (ii) optimized ion diffusion kinetics, (iii) mechanical integrity maintenance, collectively boosting the applicability of MXene/MOF hybrids in advanced energy storage systems. This review summarizes the synthesis methods, energy storage performance, and applications of multidimensional nanostructured MXene/MOF-derived composites. Finally, it discusses the opportunities and challenges for MXene/MOF-derived composites in future energy storage applications. Full article

Over the last nine decades, 2,2′:6′,2″-terpyridine (terpy) derivatives and their transition d-metal complexes have been extensively explored due to their unique and widely tuned optical, electrochemical, and biological properties. Terpyridyl transition metal complexes occupy a prominent position among functional molecular materials for applications in optoelectronics, life science, catalysis, and photocatalysis, as well as they have played a key role in determining structure–property relationships. This review summarizes the developments of amine-functionalized R-C₆H₄-terpy systems and their d-metal complexes, largely concentrating on their photophysical and electrochemical properties. Functionalization of the terpy core with the electron-rich group, attached to the central pyridine ring of the terpy backbone via the phenylene linker, gives rise to organic push–pull systems showing the photoinduced charge flow process from the peripheral donor substituent to the terpy acceptor. The introduction of amine-functionalized R-C₆H₄-terpy systems into the coordination sphere of a d-metal ion offers an additional way for controlling the photophysics of these systems, in agreement with the formation of the excited state of intraligand charge transfer (ILCT) nature. Within this review, a detailed discussion has been presented for R-C₆H₄-terpys modified with acyclic and cyclic amine groups and their Cr(III), Mn(I), Re(I), Fe(II), Ru(II), Os(II), Pt(II), and Zn(II) coordination compounds. Full article

Molecular imaging probes play a pivotal role in assaying molecular events in various physiological systems. In this study, we demonstrate a new genre of bioluminescent probes for imaging protein–protein interactions (PPIs) in mammalian cells, named the molecular association assay (MAA) probe. The MAA probe is designed to be as simple as a full-length marine luciferase fused to a protein of interest with a flexible linker. This simple fusion protein alone surprisingly works by recognizing a specific ligand, interacting with a counterpart protein of the PPI, and developing bioluminescence (BL) in mammalian cells. We made use of an artificial intelligence (AI) tool to simulate the binding modes and working mechanisms. Our AlphaFold-based analysis on the binding mode suggests that the hinge region of the MAA probe is flexible before ligand binding but becomes stiff after ligand binding and protein association. The sensorial properties of representative MAA probes, FRB-ALuc23 and FRB-R86SG, are characterized with respect to the quantitative feature, BL spectrum, and in vivo tumor imaging using xenografted mice. Our AI-based simulation of the working mechanisms reveals that the association of MAA probes with the other proteins works in a way to facilitate the substrate’s access to the active sites of the luciferase (ALuc23 or R86SG). We prove that the concept of MAA is generally applicable to other examples, such as the ALuc16- or R86SG-fused estrogen receptor ligand-binding domain (ER LBD). Considering the versatility of this conceptionally unique and distinctive molecular imaging probe compared to conventional ones, we are expecting the widespread application of these probes as a new imaging repertoire to determine PPIs in living organisms. Full article

DNA information storage holds tremendous potential due to its scalability, long lifespan, and environmental sustainability. The synthesis and reading of complex DNA data structures are of central importance. In this work, we propose new encoding schemes through novel synthesis methods of DNA and peptide nanostructures. Silicon nitride (SiN_x) solid-state nanopores (ssNPs) are employed as the detection platform to enable scalable and inexpensive reading. This approach is no longer constrained by the limitations of single-base sequencing technologies. Peptide nanostructures are introduced as a data medium via click-chemistry, expanding encoding sources. By integrating a photosensitive PC-linker, this approach endows the data chain with functionalities for encryption and data formatting, enhancing the security and organization of biological information storage. Our study presents a comprehensive framework for data management from data synthesis to post-processing, which includes encryption, decryption, and erasure functionalities. Full article

The development of drug carriers with efficient absorption and controlled delivery properties is crucial for advancing medical treatments. Metal–organic frameworks (MOFs) with tunable porosity and a large surface area represent a promising class of materials for this application. Among them, NUIG4 stands out as a biocompatible MOF that exhibits exceptionally high doxorubicin (Dox) absorption (1995 mg dox/g NUIG4) and pH-controlled release properties. In this study, we report the synthesis and characterisation of multivariate MOFs (MV-NUIG4), which are analogues of NUIG4 that maintain the same topology while incorporating different functional groups within their framework. Eight new MV-NUIG4 MOFs have been synthesised through in situ reactions of the corresponding 4-aminobenzoic acid derivative with 4-formylbenzoic acid. The compounds were thoroughly characterised using a range of techniques, including powder X-ray diffraction, infrared spectroscopy, ¹H-NMR, and single-crystal X-ray crystallography. The experimental ratio of the reagents and ligand precursors for the synthesis of MV-NUIG4 MOFs matched the ratio of the linkers in the final products. These structures incorporate additional functional groups, such as methyl and hydroxyl, in varying ratios. Computational modelling was used to provide further insight into the crystal structure of the MOFs, revealing a random distribution of the functional groups in the framework. The Dox absorption and release capacity of all analogues were studied, and the results revealed that all analogues displayed high drug absorption in the range of 1234–1995 mg Dox/g MOF. Furthermore, the absorption and release rates of the drug are modulated by the ratio of functional groups, providing a promising approach for controlling drug delivery properties in MOFs. Full article