Search Results (563)

Magnesium hydride (MgH₂) is a promising solid-state hydrogen storage material owing to its high hydrogen capacity and low cost, yet its practical application is limited by sluggish kinetics, high operating temperatures, and poor cycling stability. Among various catalytic approaches, Fe-based catalysts have emerged as attractive candidates due to their abundance, compositional tunability, and effective promotion of hydrogen sorption reactions in MgH₂ systems. This review critically summarizes recent progress in Fe-based catalysts for MgH₂ hydrogen storage, encompassing elemental Fe, iron oxides, Fe-based alloys, and advanced composite catalysts with nanostructured and multicomponent architectures. Mechanistic insights into catalytic enhancement are discussed, with particular emphasis on interfacial electron transfer, catalytic phase evolution, hydrogen diffusion pathways, and synergistic effects between Fe-containing species and MgH₂, supported by experimental and theoretical studies. In addition to catalytic activity, key stability challenges—including catalyst agglomeration, phase segregation, interfacial degradation, and performance decay during cycling—are analyzed in relation to structural evolution and kinetic–thermodynamic trade-offs. Finally, a roadmap for the scalable design of Fe-based catalysts is proposed, highlighting rational catalyst selection, interface engineering, and compatibility with large-scale synthesis. This review aims to bridge fundamental mechanisms with practical design considerations for developing durable and high-performance MgH₂-based hydrogen storage materials. Full article

With the advancement of industrial systems toward greater complexity and higher asset value, unexpected equipment failures now risk severe production interruptions, substantial economic costs, and critical safety hazards. Conventional maintenance strategies, which are primarily reactive or schedule-based, have proven inadequate in preventing unplanned downtime, underscoring a pressing demand for more intelligent monitoring solutions. In this context, intelligent spectral detection has arisen as a transformative methodology to bridge this gap. This review explores the integration of spectroscopic techniques with machine learning for equipment defect diagnosis and prognosis, with a particular focus on applications such as hydrogen leak detection and transformer oil aging assessment. Key aging indicators derived from spectral data are systematically evaluated to establish a robust basis for condition monitoring. The paper also identifies prevailing challenges in the field, including spectral data scarcity, limited model interpretability, and poor generalization across different operational scenarios. Future research directions emphasize the construction of large-scale, annotated spectral databases, the development of multimodal data fusion frameworks, and the optimization of lightweight algorithms for practical, real-time deployment. Ultimately, this work aims to provide a clear roadmap for implementing predictive maintenance paradigms, thereby contributing to safer, more reliable, and more efficient industrial operations. Full article

Composite materials are increasingly required to operate in cryogenic environments, including liquid hydrogen and oxygen storage, deep-space structures, and polar infrastructures, where long-term strength, toughness, and reliability are essential. This review provides a unique contribution by systematically integrating recent advances in understanding cryogenic behaviour into a unified multi-scale framework. This framework synthesises four critical and interconnected aspects: constituent response, composite performance, enhancement mechanisms, and modelling strategies. At the constituent level, fibres retain stiffness, polymer matrices stiffen but embrittle, and nanoparticles offer tunable thermal and mechanical functions, which collectively define the system-level performance where thermal expansion mismatch, matrix embrittlement, and interfacial degradation dominate failure. The review further details toughening strategies achieved through nano-addition, hybrid fibre architectures, and thin-ply laminates. Modelling strategies, from molecular dynamics to multiscale finite element analysis, are discussed as predictive tools that link these scales, supported by the critical need for in situ experimental validation. The primary objective of this synthesis is to establish a coherent perspective that bridges fundamental material behaviour to structural reliability. Despite these advances, remaining challenges include consistent property characterisation at low temperature, physics-informed interface and damage models, and standardised testing protocols. Future progress will depend on integrated frameworks linking high-fidelity data, cross-scale modelling, and validation to enable safe deployment of next-generation cryogenic composites. Full article

Catalytic coacervates, or droplet reactors, represent a forefront research area in chemistry and materials science. Despite advancements in this field, challenges persist in achieving liquid–liquid phase separation (LLPS) droplet compartmentalization and site-specific reactant recruitment/localization for reaction catalysis, similar to those within biological systems. Herein, we describe the catalytic coacervates for aqueous photo-RAFT in dilution, focusing on the site-specific recruitment/localization of ionized monomer with the aid of macromolecular crowding and confinement. Cooperative hydrogen-bonded interpolymer complexation (IPC) of imidazolium-copolymers initiates the ion-cluster formation. Further hierarchical inter-cluster complexation (ICC) leads to the LLPS droplet compartmentalization into charged dense-phase and neutral dilute-phase compartments. Site-specific recruitment and localization of the oppositely charged monomer into dense-phase compartments are achieved by salt-bridging molecular recognition. “Substantial DMA-dilution” (that is, macromolecular crowding) results in sustainable dense-phase catalytic sites within dilute-phase crowding surroundings, enabling reaction catalysis in dilution (<2% w/w monomer) to 97% conversion in 12 min. These findings underscore the key roles of macromolecular crowding and confinement in the tailorable LLPS droplet compartmentalization and also the site-specific reactant recruitment/localization essential for enzyme reaction catalysis, and provide practical guidelines for creating catalytic coacervates towards lifelike reaction functions. Full article

Confectionery products, specifically jelly and gummy, require optimized structural, thermal, and nutritional properties for functionality and consumer acceptance. This study investigated the impact of furcellaran (FUR) and calcium L-threonate (Ca) on the physicochemical and the sensory properties of fish gelatin-based jelly (JFG). Furcellaran modestly enhanced gel strength and hardness, while its combination with calcium L-threonate produced synergistic improvements, with JFG-FUR-Ca achieving the highest gel strength (947.63 g) and hardness (78.14 N). Microstructural and intermolecular force analyses indicated that Ca²⁺ bridging between gelatin and furcellaran promoted ionic and hydrogen bonding, forming a dense and thermostable network. The combined incorporation of furcellaran and calcium L-threonate enhanced the rheological properties while preserving low syneresis. Sensory evaluation revealed minor reductions; however, overall acceptability was higher than 7. Calcium bioavailability after digestion through the gastrointestinal tract model remained high (70–80%), confirming effective calcium fortification. The synergistic incorporation of furcellaran and calcium L-threonate effectively improved the structural integrity, thermal stability, and calcium bioavailability of fish gelatin-based jelly, while maintaining acceptable sensory qualities, highlighting its potential as a functional calcium-fortified confectionery product. Full article

The exceptional catalytic efficiency of [FeFe]-hydrogenases has driven intense efforts to reproduce their structure and function in synthetic models. A key structural feature governing the behavior of synthetic H-cluster analogs lies in the identity of the bridging dithiolato ligands that link the iron centers. These ligands play a pivotal role in tuning the electron density of the metal core, thereby dictating the complex’s redox characteristics and catalytic reactivity. In this context, we herein describe the synthesis and application of ferrocenyl bithiophene-2,2′-yl thioketone (1) as a proligand for assembling biomimetic models of the [FeFe]-hydrogenase active site. The obtained complexes were thoroughly examined using a suite of analytical methods, including NMR and IR spectroscopy, elemental analysis, and a single-crystal X-ray diffraction, affording comprehensive structural and chemical characterization. Furthermore, their electrochemical behavior toward proton reduction and hydrogen evolution was evaluated via cyclic voltammetry, enabling direct comparison with structurally related analogs. Full article

Iridium pyridine diimine (PDI) complexes provide a versatile platform for highly reactive Ir–nitrido species with pronounced multiple-bond character, capable of activating H–H, C–H, Si–H, and even C–C bonds. Building on this chemistry, we extended our studies to a system with a terminal Ir–S bond, starting from our recently reported PDI–Ir–SH complex, which exhibits partial multiple-bond character. Upon addition of the 2,4,6-tri-tert-butylphenoxy radical, the corresponding phenol and a tentative Ir–S• radical intermediate are formed at ambient temperature. DFT and LNO-CCSD(T) calculations consistently reveal a low barrier for this process, with the spin density localized primarily on sulfur, accounting for subsequent S–S coupling reactions. Instead of the anticipated dimeric disulfido Ir–S₂–Ir complex formed along a least-motion pathway, a trisulfido Ir–S₃–Ir species was obtained, and characterized by NMR spectroscopy, X-ray crystallography and mass spectrometry. The formation mechanism of the trisulfido complex was further elucidated by DFT calculations. Remarkably, the sulfur-bridge formation is thermally reversible, regenerating the monomeric sulfanido Ir–SH complex. The origin of the hydrogen atom was investigated using H₂, D₂, and deuterated solvents. Full article

Pharmaceutical residues are increasingly emerging in global drinking water sources, posing serious ecological and public health challenges by altering the physicochemical balance of aquatic systems. Among available purification approaches, adsorption remains one of the most promising techniques due to its simplicity, cost-effectiveness, and efficiency. In this work, a ternary nanocomposite of Cu- and ZnO-decorated carboxylated graphene oxide (Cu/ZnO@CGO) was synthesized and utilized for highly efficient and ultrafast removal of the antidiabetic drug metformin from aqueous environments. The adsorption mechanism arises from a synergistic combination of surface complexation on Cu nanoparticles, cation–π and π–π electron donor–acceptor interactions with the CGO aromatic structure, and hydrogen bonding through the amino groups of metformin and the oxygen-rich functional moieties of ZnO and CGO. The nanocomposite was thoroughly characterized using FTIR, XPS, XRD, SEM, HRTEM, and TGA analyses, confirming its well-defined hybrid structure. Unlike conventional single-phase or binary systems, the Cu/ZnO@CGO nanocomposite demonstrated remarkable cooperative effects that enhanced its performance through the integration of metal–ligand coordination, π–π stacking, cation–π forces, and hydrogen bonding. These interactions contributed to an outstanding adsorption capacity of 232.56 mg·g⁻¹ and an exceptionally fast equilibrium time of only 25 min. Moreover, the material maintained excellent reusability, with merely a 4.1% decline in efficiency after five regeneration cycles, and achieved almost complete removal of metformin (99.7 ± 3.4%) from several real water samples, namely river, tap, and bottled water. The unique structural design of Cu/ZnO@CGO prevents CGO aggregation and facilitates efficient contaminant capture even at trace concentrations, establishing it as a highly competitive and sustainable adsorbent for pharmaceutical wastewater treatment. Overall, this study highlights a novel and rationally engineered nanocomposite whose synergistic surface chemistry bridges adsorption and detoxification, providing valuable insight into the next generation of multifunctional graphene-based materials for environmental remediation. Full article

MicroRNAs, pivotal regulators of gene expression and physiology, serve as reliable biomarkers for early cancer diagnosis and therapy. As one of the earliest discovered miRNAs in the human genome, miRNA-21 provides critical information for early cancer diagnosis, drug therapy, and prognosis. In this work, we harness CRISPR as a bridge to integrate target-induced self-priming hairpin isothermal amplification (SIAM) with terminal transferase (TdT) polymerization labeling, constructing a facile, straightforward electrochemical biosensor for sensitive miRNA-21 detection. Unlike conventional single-strand template-based exponential amplification (EXPAR), the SIAM hairpin undergoes target triggered intramolecular conformational change, initiating extension and strand displacement reactions that suppress nonspecific dimer formation and lower background current. Notably, the assay requires only a single probe, enabling unidirectional signal amplification while nonspecific reactions caused by system complexity. The generated SIAM products activate the Cas12a/crRNA complex to trans-cleave PO₄³⁻ modified single-stranded DNAs (ssDNAs); the resulting 3′ hydroxyl ssDNAs are subsequently labeled by TdT, with the assistance of SA-HRP catalyzing hydrogen peroxide, achieving robust signal amplification. Under optimized conditions, the cathodic current exhibits a logarithmic relationship with miRNA concentrations from 20 fM to 5.0 × 10⁸ fM, with a detection limit of 9.2 fM. The biosensor successfully quantified miRNA-21 in commercial serum samples and biological lysates, demonstrating its potential for cancer diagnostics and therapy. Full article

Novel copper(II) coordination compounds with hemiaminal N,O-donor ligands were obtained and synthesized in a one-pot reaction from three appropriate substrates (aldehyde, amine, and copper(II) chloride) in methanol. A dinuclear complex with a [Cu₂Cl₂(hemiaminal)₂(amine)₂] coordination mode was obtained. The complex consists of two five-coordinated central Cu(II) cations with square pyramidal geometry and C_i molecular symmetry. The hemiaminal oxygen atom forms a bridge between the two metallic centers, and that coordination bond is a factor stabilizing these hemiaminal moieties, generally regarded as unstable intermediates. We analyzed the energetic and physicochemical properties of the [Cu₂Cl₂(hemiaminal)₂(amine)₂] complex using density functional theory (DFT). First of all, we predicted the geometrical parameters, molecular electrostatic potential, HOMO and LUMO energies, and reactivity indices to indicate the free radical scavenging capacity. Based on the topological analysis of charge densities, we also characterized the properties of hydrogen bonds. Moreover, the antimicrobial properties of the complex were investigated, and it exhibited the highest activity against Gram-positive bacteria and Candida albicans. Full article

Dacarbazine (DTIC) is a clinically important anticancer drug whose photosensitivity poses challenges for its stability and interactions with supramolecular hosts. Here, we investigate its complexation with the host 1,10-N,N′-bis-(β-D-ureidocellobiosyl)-4,7,13,16-tetraoxa-1,10-diazacyclooctadecane (TN), a hybrid urea–carbohydrate–diazacrown system, using combined experimental and computational approaches. While TN has been studied as a host molecule, its specific interactions with DTIC and the associated thermodynamic characteristics had not been characterized. Computational results (obtained at the density functional theory level (DFT)) indicate that TN primarily forms non-inclusion complexes, with DTIC engaging in hydrogen bonding with sugar units, urea bridges, and diazacrown ether moieties. Experimental ¹H NMR studies in D₂O confirmed these interaction patterns, showing notable chemical shifts for sugar protons. Conductometric measurements between 293 and 313 K allowed for the determination of formation constants and thermodynamic parameters. The results demonstrate that TN:DTIC complexation is spontaneous, exothermic, and enthalpy-driven, accompanied by decreased system entropy. Comparison with previous studies on cyclodextrin complexes shows that TN forms strong associations with DTIC, owing to its abundant donor–acceptor groups, which facilitate extensive hydrogen-bonding networks. These findings provide new insights into DTIC stabilization and highlight TN’s potential as a multifunctional platform for drug delivery. Full article

Cancer remains a severe global health threat, with traditional therapies often plagued by limited efficacy and significant side effects. The emergence of nanotechnology, particularly metal-doped nanomaterials, offers a promising avenue for integrating diagnostic and therapeutic functions into a single platform, enabling a theranostic approach to oncology. This article explores the design and application of various metal-doped nanosystems, including gadolinium-doped selenium molybdenum nanosheets for magnetic resonance/photoacoustic dual-mode imaging and photothermal therapy, and metal-doped hollow mesoporous silica nanoparticles that leverage the tumor’s acidic microenvironment to release ions for catalytic generation of reactive oxygen species. Despite their promise, the limited enzyme-like activity of some nanozymes, insufficient endogenous hydrogen peroxide in tumors, and the tumor microenvironment’s defensive mechanisms, such as high glutathione levels, can restrict therapeutic efficacy. Looking forward, the outlook for the field is contingent upon advancing material engineering strategies. Future research should prioritize the development of intelligent, multifunctional nanoplatforms that can dynamically respond to and remodel the tumor microenvironment. Innovations in surface modification for enhanced targeting, alongside rigorous preclinical studies focused on safety and standardized manufacturing, are crucial for bridging the gap between laboratory research and clinical application, ultimately paving the way for personalized cancer medicine. Full article

Hydrogen is key player in the energetic transition towards a more sustainable society as a very versatile energy carrier. Nevertheless, hydrogen storage represents the main limitation to the spread of a hydrogen driven economy on a small and medium scale. Clearly, achieving this requires a balance among material engineering, system optimization, and techno-economic assessments to optimize performance, safety, and scalability. In this work we briefly and critically discuss the progress in hydrogen storage focusing on the necessity to create a bridge to overcome the actual limitations. We explore the most recent advancement in the field drawing a picture of the complex scenario of hydrogen storage in the framework to the transition to a net zero or carbon negative society providing an updated opinion on the challenges addressed and those still to be solved. Full article

Green buildings increasingly couple electrical, thermal, and hydrogen subsystems, yet these assets are typically monitored and controlled through separate standards and protocols. The resulting heterogeneous information models and communication stacks hinder millisecond-level coordination, plug-and-play integration, and resilient operation. To address this gap, we develop a unified information model and a cross-protocol real-time interaction mechanism based on extensions of IEC 61850. At the modeling level, we introduce new logical nodes and standardized data objects that describe electrical, thermal, and hydrogen devices in a single semantic space, supported by a global unit system and knowledge-graph-based semantic checking. At the communication level, we introduce a semantic gateway with adaptive mapping bridges IEC 61850 and legacy building protocols, while fast event messaging and 5G-enabled edge computing support deterministic low-latency control. The approach is validated on a digital-twin platform that couples an RTDS-based multi-energy system with a 5G test network. Experiments show device plug-and-play within 0.8 s, cross-protocol response-time differences below 50 ms, GOOSE latency under 5 ms, and critical-data success rates above 90% at a bit-error rate of 10⁻³. Under grid-fault scenarios, the proposed framework reduces voltage recovery time by about 60% and frequency deviation by about 70%, leading to more than 80% improvement in a composite resilience index compared with a conventional non-unified architecture. These results indicate that the framework provides a practical basis for interoperable, low-carbon, and resilient energy management in green buildings. Full article

Microbial electrolysis cells (MECs) are bioreactors that utilize electroactive microorganisms to catalyze the oxidation of organic substrates in wastewater, generating electron flow for hydrogen production. Despite the concept, a persistent performance gap exists where metabolically active anodic biofilms frequently fail to achieve expected current densities by the flow of electrons to produce hydrogen. This review examines the multiple causes that lead to the disconnect between robust biofilm development, electron transfer, and hydrogen production. Factors affecting biofilm generation (formation, substrate selection, thickness, conductivity, and heterogeneity) are discussed. Moreover, factors affecting electron transfer (electrode configuration, mass transfer constraints, key electroactive species, and metabolic pathways) are discussed. Also, substrate diffusion limitations, proton accumulation causing inhibitory pH gradients in stratified biofilms, elevated internal resistance, electron diversion to competing processes like hydrogenotrophic methanogenesis consuming H₂, and detrimental biofilm aging, impacting hydrogen production, are studied. The critical roles of electrode materials, reactor configuration, and biofilm electroactivity are analyzed, emphasizing advanced electrochemical (CV, EIS, LSV), imaging (CLSM, SEM, AFM), and omics (metagenomics, transcriptomics, proteomics) techniques essential for diagnosing bottlenecks. Strategies to enhance extracellular electron transfer (EET) (advanced nanomaterials, redox mediators, conductive polymers, bioaugmentation, and pulsed electrical operation) are evaluated for bridging this performance gap and improving energy recovery. The review presents an integrated framework connecting biofilm electroactivity, EET kinetics, and hydrogen evolution efficiency. It highlights that conventional biofilm metrics may not reflect actual electron flow. Combining electrochemical, microelectrode, and omics insights allows precise evaluation of EET efficiency and supports sustainable MEC optimization for enhanced hydrogen generation. Full article