A novel series of coumarin-based 1,2,3-triazole glycoconjugates 7(a–j) was synthesized via a copper(I)-catalyzed azide–alkyne cycloaddition (CuAAC) between a coumarin-derived alkyne and sugar azides. The synthesized compounds were thoroughly characterized using FT-IR, 1H NMR, 13C NMR, and HRMS analyses. In vitro anticancer screening against MCF-7 human breast cancer cells revealed moderate cytotoxicity for compounds 7a, 7d, and 7e, exhibiting IC50 in the range of 49.48–70.08 μM, while the remaining analogues showed weak activity. Molecular docking studies of the active compounds 7a and 7e against CDK2 (PDB ID: 2A4L) revealed strong binding affinities, with docking scores of –9.2 and –9.1 kcal/mol, respectively, indicating favorable interactions within the enzyme's active site. Density Functional Theory (DFT) analysis further provided insights into electronic properties such as HOMO–LUMO energy gaps, stability, and electrophilicity, elucidating their influence on molecular reactivity and drug–receptor interactions. Overall, these findings highlight coumarin–triazole glycoconjugates as promising scaffolds for the development of new anticancer agents.

The surface oxygen vacancy defects generated from the abstraction of lattice oxygen atoms of bulk ceria accompanied by the reduction of CeIV to CeIII, are considered to play a pivotal role in photocatalysis. As ideal molecular models of nanoceria, atom-precise cerium-oxo clusters (COCs) hold great promise in determining the accurate CeIII/CeIV ratio and disclosing the underlying catalytic mechanism. However, the number of COCs, especially those mixed-valent COCs with high surface CeIII concentrations, is very limited on account of their formidable synthetic challenges. Herein, we report the first silsesquioxane-protected COC, Ce13, featuring a fluorite-type Ce13O8 core, which is structurally reminiscent of bulk ceria. The cluster exhibits a substantially high CeIII/CeIV ratio with one central CeIV encapsulated by twelve surface-exposed CeIII atoms, serving as a molecular analogue of highly reduced ceria surfaces. This cluster shows strong light-harvesting ability that covers the entire visible range and demonstrates high photocatalytic activity and selectivity for oxidative coupling of various amines, where superoxide radical was involved using O2 as the oxidant at room-temperature under visible light. The surface CeIII sites are proposed to significantly enhance the adsorption and activation of O2. These results highlight the potential of Ce13 as an efficient sustainable photocatalyst for organic transformations.

Nanofibrous architectures, a prominent class of one-dimensional nanomaterials, continue to captivate researchers in the exploration of novel nanofibrous materials and their diverse applications in nanotechnology. Creating crystalline nanofibers with inorganic walls capped by organic ligands is both critical and challenging, requiring precise structural control and consistent internal diameters. Herein, through anion-directed assembly, we demonstrate the controlled creation of semiconducting silver nanofibers with tunable and uniform internal diameters, exemplified by [V3O10@Ag22(iPrS)14(CH3COO)2Cl]n (Ag22-NF), [Cl3@Ag21(iPrS)14(PhCOO)4]n (Ag21-NF), and [Ag6(iPrS)4(PhCOO)2]n (Ag6-NF). Importantly, Ag22-NF encapsulates V3O105- ions within a ∼ 6.52 Å diameter; Ag21-NF contains Cl- and silver ions within a ∼ 5.69 Å diameter; and Ag6-NF is a hollow, template-free nanofiber with a diameter of ∼ 4.57 Å. These nanofibers were further fabricated through mechanical exfoliation of three distinct silver single crystals, preserving their well-ordered structural integrity and alignment with the bulk crystal architecture. As a concept-of-application, the field-effect transistor devices based on Ag6-NF exhibit high ratios of on to off current at ∼ 104-107, demonstrating the outstanding semiconducting performance. This work not only unveils a diverse array of connecting building units that generate nanofibers within three distinct assemblies but also elucidates the profound influence of template size on their optical properties, thereby exemplifying the intricacies of anion-directed design in controlled nanoscale synthesis.

Mn-oxo clusters,as molecular magnetic materials,were promising candidates for magnetic materials due to their different oxidation states with variable numbers of unpaired electrons and variable geometric arrangements[1].The magneto-structural correlations and the solvent effect on properties in such clusters remain an inchoate area that de-serves to be explored in detail.

Hydrogen-bonded frameworks (HOFs) are attracting interest for industrial and environmental applications. This review emphasizes recent developments in HOFs, concentrating on their structural characteristics, types of hydrogen bonding, and the connections that affect their mechanical properties and environmental responsiveness. It highlights hinge-like flexibility, rigidity, and framework retention, which enhance adaptability and structural integrity while trapping gases. A proposed mechanism for the selective adsorption of noble gases and light hydrocarbons emphasizes their potential in gas storage and environmental remediation. Overall, HOFs are presented as versatile materials ready to tackle emerging industrial challenges.

Hydrogen-bonded organic frameworks (HOFs) have garnered considerable attention as versatile, metal-free porous materials with exceptional potential for enzyme encapsulation and biosensing applications. Despite their inherent biocompatibility and tunable porosity, challenges such as stability under physiological conditions and scalable synthesis remain. In this review, we present a comprehensive overview of recent advances in HOF engineering to enhance enzyme encapsulation efficiency, stabilization, and catalytic activity. This framework integrates molecular design strategies including hydrogen bonding, selective biomolecule recognition, pore size tuning, and co-encapsulation with cofactors to create a protective microenvironment that prolongs enzymatic function under harsh conditions. Cutting-edge HOF-based materials are also highlighted as high-performance platforms for biosensing, integrating optical, electrochemical, and Raman-based methods to achieve ultrasensitive biomolecule and disease marker detection. Furthermore, we discuss the emerging biomedical and therapeutic applications of HOF-based composites, including cell protection, targeted drug delivery, and bioorthogonal catalysis. Key challenges, such as framework stability under physiological conditions, scalability of synthesis, and device integration, are critically evaluated, along with future research directions for clinical translation and industrial application. Collectively, these advances position HOF-based systems as next-generation materials for robust, efficient, and multifunctional biocatalysis and diagnostics.

Breast cancer remains a significant global health burden, with a rising incidence and mortality rate, particularly among younger women. Despite substantial therapeutic progress, effective molecular targets for treatment remain limited. This study investigated the oncogenic function of telomerase reverse transcriptase (TERT) and assessed the anti-cancer potential of formononetin using integrated bioinformatics and computational analyses. Pharmacokinetic and toxicity profiles were assessed using SwissADME, pkCSM, and Protox-II. Potential drug and disease targets were retrieved from SwissTarget, TargetNet, GeneCards, and DisGeNET databases, identifying 45 overlapping targets. Protein–protein interaction mapping via STRING and topological analysis in Cytoscape highlighted TERT, PIK3CA, ESR1, and KIT as key nodes. Molecular docking revealed high binding affinities of formononetin toward TERT (− 8.15 kcal/mol) and PIK3CA (− 8.01 kcal/mol). Gene expression profiling using GEPIA2 confirmed significant over expression of TERT and PIK3CA in breast carcinoma tissues. Pathway enrichment analysis, conducted through ShinyGO, in conjunction with density functional theory (DFT) calculations, elucidated the electronic and interaction dynamics underlying ligand–target stability. Collectively, these findings suggest that formononetin may be a promising lead compound for targeting TERT-driven breast cancer, warranting further in vivo and clinical validation to establish its therapeutic potential.

ConspectusAtomically precise metal nanoclusters (NCs) are a class of nanomaterials composed of a specific number of metal atoms stabilized by well-defined organic ligands. These NCs exhibit molecular-like electronic states and offer exceptional control over their optoelectronic properties. Recent advancements have extended their photoluminescence deep into the near-infrared II (NIR-II) window (950-1700 nm), a spectral region that provides significant advantages for biomedical imaging and photonic applications, including reduced tissue scattering, minimal autofluorescence, and enhanced penetration depth. In comparison to conventional quantum dots and larger plasmonic nanoparticles, atomically precise metal NCs offer unprecedented tunability in terms of emission wavelength, quantum yield, and photostability, facilitated by the modulation of size, composition, and ligand shell chemistry.In this Account, we highlight cutting-edge strategies, including ligand engineering, core-shell engineering, and alloying, which enable fine-tuning of NIR-II photoluminescence in metal NCs. We also explore the photophysical mechanisms underlying NIR-II emission, such as core-ligand charge transfer, metal-centered transitions, and the role of surface electronic states in radiative recombination efficiency. Advanced spectroscopic techniques, such as time-resolved photoluminescence and transient absorption, are discussed for their ability to probe excited-state lifetimes and energy transfer processes that control the emission properties. Finally, we critically address the current limitations in quantum yield enhancement, long-term photostability, and biocompatibility while outlining future directions for developing hybrid materials and multifunctional NC platforms and advancing NIR-II photonic technologies. Our Account aims to offer molecular-level insights and guide the rational design of next-generation atomically precise metal NCs as versatile materials for advanced NIR-II photoluminescence.

Metal nanoclusters (NCs), as an important branch in the field of nanotechnology, offer significant application potential in catalysis, sensing, materials, and other fields due to their unique physical and chemical properties. In educational contexts, introducing atomically precise nanoclusters helps students gain a deeper understanding of the fundamental principles and application prospects of nanotechnology. Unlike metal nanoparticles (NPs), atomically precise NCs exhibit superior structural precision and controllable properties, serving as ideal model systems for teaching nanomaterials and nanotechnology. This undergraduate experiment course was conducted by ten second-year undergraduate students in group work, which consists of four sessions: a class on the synthesis, purification, and a class on scale-up synthesis of Ag6, followed by a class on the next week covering single-crystal structure determination and a class on optical property measurements, as the growth of the single crystals will take about a week, involving hands-on engagement with cutting-edge scientific research instruments such as single-crystal X-ray diffraction (SCXRD), fluorescence spectroscopy, and mass spectrometry. The course has been well-received by ten upper-division applied chemistry majors, who confirmed its suitability for balancing complexity and engagement. Through this course, students not only synthesize nanoclusters and observe their structural features but also enhance their experimental proficiency, critical thinking, and innovative capabilities, thereby laying a solid foundation for future scientific research.

Flexible metal-organic frameworks (MOFs) are revolutionizing separation science by offering tunable selectivity based on structural dynamics, unlike traditional rigid adsorbents. These materials respond to stimuli such as pressure, adsorption, and temperature through gate opening, breathing, and swelling, allowing dynamic pore reconfiguration. This review links these structural transitions to separation performance in gas and liquid systems, categorizing behavior by thermodynamics and kinetics. These responsive changes produce pressure-dependent selectivity, stepwise isotherms, and inversion, phenomena impossible with conventional porous materials. This review discusses the impact of framework flexibility on mixed-component separations, focusing on transition kinetics, hysteresis, and stability. Despite the promise, challenges like slow rates, fatigue, and response variability hinder industrial use. Insights from molecular design, thermodynamics, and engineering guide tuning gate pressures, transition pathways, and selectivity. We highlight future research directions and scale-up opportunities for practical separation technologies.

Isotope separation plays a key role in nuclear energy, medical diagnostics, environmental cleanup, and advanced manufacturing, yet traditional methods are often energy-consuming and difficult to scale up. Metal-organic frameworks (MOFs), with adjustable porosity and modular structures, provide new possibilities for selective isotope capture and separation. This review covers recent progress in MOF-based methods for separating hydrogen, boron, lithium, and xenon isotopes, with a focus on advancing from molecular selectivity to real-world applications. Important design factors such as pore size, framework flexibility, open metal sites, and functionalization are linked to isotope-specific interactions. Key mechanisms, including kinetic quantum sieving (KQS), chemical affinity quantum sieving (CAQS), classical size sieving, selective adsorption, and diffusion-controlled separation, are distinguished by their governing factors: temperature, pore aperture, adsorption-site chemistry, and framework dynamics. Ultramicroporous MOFs show high hydrogen isotope selectivity, while xenon separation depends on dispersive interactions and matching pore sizes. Boron and lithium separation methods are still under developing. Future research should target dynamic frameworks, radiation durability, and computational design to enable scalable use.

Enzyme-inspired coordination chemistry in functional materials plays a pivotal role in controlling molecular recognition, transport, and reactivity, particularly under spatial confinement. This review examines recent advances and applications of metal-centered coordination environments in confined and interfacial microenvironments that mimic metalloenzyme functions. The central focus is on the roles of primary coordination geometry, secondary coordination spheres, and confinement effects in governing electronic structures, substrate binding, and reactions. Metal–organic frameworks (MOFs) and MXenes are explored to elucidate how ordered porous architectures and conductive, chemically active 2D layers independently regulate mass transport, charge transfer, and active-site behavior. This parallel approach enables clear mechanistic comparisons across material platforms. Key highlights include MOFs, multidimensional confined systems with structurally defined metal nodes and tunable ligands, and the MXene platforms. These platforms feature surface terminations that function as inorganic ligands, enabling dynamic coordination environments and charge-regulated transport at 2D interfaces. The review further explores applications of these bio-inspired systems in catalysis, sensing, and biomedicine. By comparing framework-confined and surface-confined environments, this review clarifies the relationships among coordination design, confinement, and reactivity. While acknowledging the emergent nature of this research field, the review addresses prevailing challenges related to stability under confinement, scalability, and practical implementation.

Silsesquioxanes as versatile organic-inorganic hybrids with terminal siloxyl sites have been utilized to construct diverse metallasilsesquioxane complexes, yet their niche in silver nanoclusters remains largely unexplored. Herein, we report the first silsesquioxane-protected superatomic silver nanocluster, [Ag40(Ph4Si4O8)6(tBuC≡C)8] (Ag40), acquired through an "adaptive multipath synthesis" that circumvents the long-standing limitations imposed by hard and soft acids and bases principles in Ag(I) coordination chemistry. Single-crystal X-ray diffraction analysis reveals a kernel-shell architecture: a face-centered-cubic Ag168+ kernel, encapsulated by a [Ag24(Ph4Si4O8)6] cage and tBuC≡C- ligands. Synthetic methodology studies indicate that the macrocyclic all-cis-T4: Ph4Si4O84- ligands can be accessed via three distinct routes: in situ generation, pre-synthesis, and hierarchical-synthesis, all of which involve the hydrolytic condensation of PhSi(OR)3 (R = Me, Et). Of these, the hierarchical approach addresses the limitations of the other two routes (poor stereochemical control in the in situ route and delayed supersaturation-induced slow crystallization in the pre-synthesis route), improving both the reproducibility and the growth efficiency of the Ag40 crystals. The mass spectrometry analysis not only provides compelling evidence for in situ transformation from cis,cis-T3 to all-cis-T4 ligands but also reveals the assembly pathways for the Ag40 nanocluster either in pre-synthesis or in hierarchical-synthesis, underscoring the dynamic transformation of cyclic oligomeric silsesquioxanes and its critical role in capturing the ultrasmall subvalent silver kernel. Notably, Ag40 exhibits superatomic 1D→1P transition-dominated red phosphorescent emission, persisting in nondegassed solutions. As the highest-nuclearity oligosiloxane-capped metal cluster and first superatomic silver-silsesquioxane species, Ag40 establishes a paradigm for silica-supported superatom synthesis and advances hard-base-protected coinage metal nanoclusters.

Covalent organic frameworks (COFs) are crystalline, porous polymers with tunable architectures, high surface areas, and robust chemical stability, making them promising platforms for chemical sensing. This review surveys recent advances in luminescent COFs (LCOFs) for the selective detection of hazardous contaminants via fluorescence-based mechanisms, including photo-induced electron transfer and energy transfer. Representative studies discuss ultra-low detection limits for UO22+, Hg2+, and Pb2+, along with rapid response times, high adsorption capacities, and strong recyclability. Sensitivity and selectivity are further enhanced through functionalization strategies such as amidoxime grafting, lanthanide incorporation, and linkage engineering. Beyond actinide sensing, LCOFs have demonstrated effectiveness toward mercury, lead, nitro-aromatic explosives, and biological markers, underscoring their functional versatility. Despite these advances, key challenges persist, including scalable synthesis, structural stability in complex matrices, and integration into deployable sensing devices. Future progress leveraging hybrid material systems, computation-guided design, and portable detection platforms could position LCOFs as transformative tools for environmental monitoring, nuclear safety, and public health protection.

Metal nanoclusters (MNCs) are an emerging class of atomically precise nanomaterials with sizes comparable to the Fermi wavelength of free electrons, exhibiting discrete energy levels, molecular-like behaviors, and tunable physicochemical properties. Among these properties, photothermal conversion-the process of transforming absorbed light into thermal energy-has garnered considerable interest due to its vital importance in applications such as solar energy harvesting, photothermal therapy, and catalysis. This review begins by summarizing recent progress in synthetic strategies for MNCs, including kinetic control, seeded growth, in situ two-phase ligand exchange, and metal exchange, which help overcome challenges such as polydispersity, low yield, restricted surface functionality, and lengthy synthesis times. Subsequently, a comprehensive analysis is provided on the photothermal conversion behaviors of various MNC systems (e.g., coinage metal nanoclusters, Ti NCs, and Mo NCs) reported in the past five years, with in-depth discussion of their structural characteristics, absorption properties, photothermal conversion efficiencies, and underlying conversion mechanisms. Finally, the review addresses current challenges and prospects for advancing MNC-based photothermal technologies via atomic-level engineering and interdisciplinary approaches. Through this in-depth and systematic review, we endeavor to provide scholars dedicated to metal nanocluster research-as well as experts engaged in photothermal conversion and its diverse applications-with valuable scientific insights. We are confident that this contribution will not only catalyze innovative breakthroughs but also unlock exciting new frontiers within this vibrant and rapidly evolving field of study.

Polymer nanofibers have become highly adaptable and versatile one-dimensional nanomaterials due to their large surface area, tunable porosity, mechanical flexibility, and ease of functionalization. Researchers discover a wide range of applications of polymer nanofiber in biomedical, environmental, and energy fields. This review highlights developments to the synthesis, properties, and multifunctional uses of polymer nanofibers and focuses on various fabrication approaches along with their pros and cons. The review also discusses a variety of key polymers, such as polyaniline, polyacrylonitrile, nylon, polycarbonate, polyethylene terephthalate, polystyrene, polyvinyl alcohol, polyurethane, and cellulose acetate, and their performance and structural properties for a number of applications. The characteristics of functionalized polymer nanofibers, including increased conductivity, adsorption efficiency, biocompatibility, and mechanical stability, make them excellent candidates for use as air and water filtration media, antimicrobial coatings, biosensing applications, tissue engineering, wound healing, drug delivery, smart textiles, and electrochemical energy storage devices. The use of nanofillers, bioactive agents, and hybrid structures is critically reviewed as a means of enhancing the performance and durability of these materials. The review concludes with a discussion on the challenges of scaling up production, reproducibility, sustainability, and long-term functionality and outlines the future opportunities in the area of multifunctional, biodegradable, and commercially viable nanofiber systems.

Ionic Liquids (ILs) are considered to be new materials and have been the subject of comprehensive experimental and theoretical studies due to their unique solvent properties, and are used in a wide range of applications in the substitution of conventional organic solvents. Due to the non-toxic, non-volatile, and non-flammable nature of IL, it is used as green solvent in different kinds of synthesis, drug delivery, catalysis, separation techniques, and many more applications. IL has garnered considerable attention recently as a potential alternative to conventional pharmaceutical systems. The unique properties of ILs make them promising candidates to facilitate new methods of improving the bioavailability and therapeutic effects of poorly soluble drugs. The ability of ILs to enhance the dissolution of poorly soluble drugs and to facilitate the physiological barriers contributes to their overall effectiveness. ILs have also been shown to provide stability to certain small molecules when used in conjunction with other methods or formulations. The recent development of utilizing ILs in drug delivery has been discussed in detail, along with the cytotoxicity of ILs in human cell. The present review highlights an in-depth, detailed review of the current state-of-the-art of ILs as antimicrobial, antifungal, anticancer, and anti-inflammatory agents. Also, it describes the application of ILs in transdermal drug delivery and disease diagnosis as well as its limitations.

A novel series of eleven phenyl-substituted quinoline 1,2,3-triazole glycoconjugates 6(a-k) was synthesized via the copper(i)-catalyzed azide-alkyne cycloaddition (CuAAC) reaction between 2-phenyl-substituted quinoline-4-carboxylic acid propargyl ester (4a-4e) and various sugar azides (5a, 5b, and 5c). The obtained compounds were comprehensively characterized by FT-IR, 1H NMR, 13C NMR, and mass spectrometry. The chemical structures of compounds 6a, 6b, and 6e were further established by single-crystal X-ray diffraction analysis. Their crystal packing was stabilized through a network of intermolecular hydrogen bonds involving C-H⋯N, N-H⋯N, and C-H⋯O (sp2, sp3) interactions, which were qualitatively analyzed using Hirshfeld surface analysis. In vitro anticancer evaluation against the MCF-7 breast cancer cell line revealed that most of the compounds of the series were inactive, while compounds 6c, 6d, and 6f exhibited only weakly cytotoxic activity (IC50 values of 108.59-135.95 µM). Molecular docking with estrogen receptor alpha (ERα, PDB ID: 3ERT) revealed good binding affinities (up to -9.1 kcal mol-1), comparable to the reference ligand (-9.7 kcal mol-1). Furthermore, DFT calculations were performed to evaluate key electronic parameters (HOMO-LUMO energies, reactivity, stability, and charge distribution), offering insight into the compounds' chemical behaviour and electronic properties.

Cuprophilic interactions are increasingly recognized as key determinants in the design of functional assemblies, particularly for enhancing luminescence. However, achieving precise control of cuprophilic interactions in self-assembled, atomically precise copper nanoclusters remains challenging. Here, we present a straightforward strategy to systematically modulate cuprophilic interactions through the supramolecular self-assembly of an atomically precise Cu(I) nanocluster, [Cu6(MBID)6] (Cu6, HMBID = 2-mercaptobenzimidazole). The aggregation behavior of Cu6 is finely regulated by solvation engineering, with controlled self-assembly into well-defined hexagonal nanoplates occurring exclusively within a solvent fraction range (f w = 50-60%). This process strengthens cuprophilic interactions, thereby leading to pronounced improvements in photoelectrical properties, including luminescence and photocurrent generation. Ab initio molecular dynamics (AIMD) simulations reveal that in a 50:50 water/DMSO medium, Cu & centerdot;& centerdot;& centerdot;Cu distances within Cu6 are significantly shortened, providing computational evidence for strengthened metallophilic interactions during aggregation. Complementarily, Raman spectroscopy directly tracks the evolution of Cu & centerdot;& centerdot;& centerdot;Cu distances across distinct aggregation states, offering experimental confirmation of aggregation-induced reinforcement of cuprophilic interactions. Collectively, this work establishes Cu6 as a robust model for supramolecular cluster self-assembly and underscores the pivotal role of metallophilic interactions in constructing cluster-based aggregates with tunable optical properties.