Search Results (152)

Gallic acid (GA) exhibits excellent antioxidant properties but suffers from chemical instability due to its carboxyl group, which limits practical application. To address this, we designed and investigated 14 distinct ester derivatives of GA, which were categorized into two major groups based on their substituents: chain alkyl and hydroxyl-substituted alkyl groups. Systematic evaluation revealed a striking decline in the DPPH radical scavenging activity of alkyl esters with increasing carbon chain length, from 91.9% for GA-C3 to 55.6% for GA-C30. The hydroxyl-functionalized GA esters GA-EG, GA-GL, and GA-PT maintain high antioxidant activity (>90%) while improving applicability through carboxyl substitution. In the oil system, all derivatives significantly prolong the oxidation induction time, with GA-C3 exhibiting the highest performance by extending the induction time by 2.15 h. Hydroxyl-functionalized esters such as GA-EG, GA-GL, and GA-PT also demonstrated significant efficacy, prolonging oxidation induction by 1.92 to 2.03 h. The results suggest how the structure of GA esters affects their antioxidant behavior, providing a direction for designing antioxidants suitable for specific systems. Full article

Background/Objectives: Boron-dipyrromethene (BODIPY) derivatives are a superior class of fluorophores prized for their exceptional photostability and tunable photophysical properties. While ideal for imaging, their translation to photodynamic therapy (PDT) has been hampered by excitation in the visible range, leading to poor tissue penetration. To overcome this, intense research has focused on developing near-infrared (NIR)-absorbing BODIPY photosensitizers (PS). This review aims to systematically summarize the hierarchical design strategies, from molecular engineering to advanced nanoplatform construction, that underpin the recent progress of NIR-BODIPY PS in therapeutic applications. Methods: We conducted a comprehensive literature review using PubMed, Scopus, and Web of Science databases. The search focused on keywords such as “BODIPY”, “aza-BODIPY”, “near-infrared”, “photodynamic therapy”, “photothermal therapy”, “nanocarriers”, “hypoxia”, “immuno-phototherapy”, and “antibacterial.” This review analyzes key studies describing molecular design, chemical modification strategies (e.g., heavy-atom effect, π-extension), nanoplatform formulation, and therapeutic applications in vitro and in vivo. Results: Our analysis reveals a clear progression in design complexity. At the molecular level, we summarize strategies to enhance selectivity, including active targeting, designing “smart” PS responsive to the tumor microenvironment (TME) (e.g., hypoxia or low pH), and precise subcellular localization (e.g., mitochondria, lysosomes). We then detail the core chemical strategies for achieving NIR absorption and high singlet oxygen yield, including π-extension, the internal heavy-atom effect, and heavy-atom-free mechanisms (e.g., dimerization). The main body of the review categorizes the evolution of advanced theranostic nanoplatforms, including targeted systems, stimuli-responsive ‘smart’ systems, photo-immunotherapy (PIT) platforms inducing immunogenic cell death (ICD), hypoxia-overcoming systems, and synergistic chemo-phototherapy carriers. Finally, we highlight emerging applications beyond oncology, focusing on the use of NIR-BODIPY PS for antibacterial therapy and biofilm eradication. Conclusions: NIR-BODIPY photosensitizers are a highly versatile and powerful class of theranostic agents. The field is rapidly moving from simple molecules to sophisticated, multifunctional nanoplatforms designed to overcome key clinical hurdles like hypoxia, poor selectivity, and drug resistance. While challenges in scalability and clinical translation remain, the rational design strategies and expanding applications, including in infectious diseases, confirm that NIR-BODIPY derivatives will be foundational to the next generation of precision photomedicine. Full article

Classical chemical bonding is typically categorized into primary, strong interactions, such as covalent, ionic, and metallic bonds, and secondary, weak interactions, such as van der Waals forces, the hydrogen bond, and their likes (halogen bond, chalcogen bond, etc.). However, other not-so-known bonding mechanisms also play a crucial role in chemical systems. Particularly important are the charge-shift bond (CSB) and the multicenter bonds, i.e., the electron-rich multicenter bond (ERMB), also known as hypervalent or three-center-four-electron (3c-4e) bond, and the electron-deficient multicenter bond (EDMB), also known as the three-center-two-electron (3c-2e) bond in molecules and, more recently, as the two-center-one-electron (2c-1e) bond in extended solids. We consider that these latter interactions have not yet received the proper attention of the scientific community, even though multicenter interactions were proposed in the early days of Quantum Mechanics. In this work, we aim at providing: (i) a concise historical overview of the two types of multicenter bonds; (ii) a short introduction to the recently proposed unified theory of multicenter bonding (UTMB), which elucidates the origin and mechanisms of formation of both ERMBs and EDMBs; and (iii) an extension of the UTMB to include CSBs, due to the strong relationship between ERMBs and CSBs. We hope that the integrated perspective of chemical bonding, the heartland of chemistry, offered by the UTMB (beyond traditional and historical assumptions) will help researchers to understand materials properties and will provide a framework allowing the development of advanced materials for enhanced technological applications. Full article

Emergent Large Language Models (LLMs) show impressive capabilities in performing a wide range of tasks. These models can be harnessed for biophysical use as well. The main challenge in this endeavor lies in transforming 3D chemical data into 1D language-like data. We developed a method to transform molecular data into language-like data and tokenize it for LLM use in a biophysical context. We then trained a model and validated it with a known protein–ligand complex. Using the pre-trained result, the model can assess the chemical properties of targets, detect shared binding properties and structures, and reveal related drugs. The model and the synthetic language to describe binding interactions uncovered novel protein–protein networks influenced by ligands, indicating functionally related yet previously unreported interactions. Full article

Machine learning has emerged as a promising tool to accelerate the screening of lithium–ion battery electrode materials. Gravimetric capacity, a critical performance indicator governing electrode energy density, is intrinsically related to lithium insertion and extraction mechanisms, requiring sophisticated embedding approaches that capture the structural characteristics of cathode materials. The cathode material dataset from the Materials Project database comprises heterogeneous data modalities: numerical features representing chemical properties and categorical features encoding structural characteristics. Naive integration of these disparate data types may introduce semantic gaps from statistical distributional discrepancies, potentially degrading predictive performance and limiting model generalization. To address these limitations, this study proposes a Classified Branch–CapNet model that individually embeds four distinct types of categorical structural data into separate classified branches along with numerical data for independent learning, subsequently integrating them through a late fusion strategy. This approach minimizes interference between heterogeneous data modalities while capturing structure–property relationships with enhanced precision. The proposed model achieved superior performance with a mean absolute error of 2.441 mAh/g, demonstrating substantial improvements of 56.2%, 71.2%, 73.9%, and 51.1% over conventional deep neural networks, recurrent neural networks, long short-term memory architectures, and the encoder-only Transformer, respectively. Furthermore, it achieved the lowest root mean square error of 15.236 mAh/g and the highest coefficient of determination of 0.961, confirming its superior predictive accuracy and generalization capability compared with all benchmark models. Our model therefore demonstrates significant potential to accelerate the efficient screening and discovery of high-performance battery electrode materials. Full article

Bamboo, a fast-growing and biodegradable industrial crop, exhibits excellent mechanical properties, which facilitate its widespread use in construction, furniture, and decorative applications. However, its inherently limited permeability hinders processing during drying, chemical modification, dyeing, and impregnation. Although previous studies have explored structural and treatment-related aspects, few have offered a comprehensive and integrative overview that bridges anatomical structure, permeation mechanisms, performance evaluation, and treatment strategies. This review synthesizes 126 publications from 1997 to 2024 to provide a comprehensive, multidimensional analysis of bamboo permeability. Structure–function relationships are examined by assessing how vessels, sieve tubes, perforation plates, pits, and bamboo nodes influence permeability, with an emphasis on quantitative correlations. Capillarity, diffusion, and viscous resistance are integrated into a unified theoretical framework, proposing a model that couples longitudinal capillary rise with transverse diffusion. Detection approaches, including both direct techniques (weight gain, microscopy, tracer elements, fluorescence imaging) and indirect techniques (porosity measurement, Micro-CT), with their respective advantages, limitations, and applications. Enhancement strategies are categorized into chemical, physical, and biological methods, with assessments of their effectiveness, environmental impact, and energy consumption. Overall, this review provides a holistic perspective on bamboo permeability and offers valuable guidance for future research and engineering applications. Full article

The eco-toxicological impacts caused by organic pollutants in aquatic environments have emerged as a global concern in recent decades, resulting from the potential hazards they present to ecosystem integrity and human health. Decorating active components on mesoporous silica is considered a popular approach by which to obtain synergistic effects in persulfate activation for sustainable water decontamination. However, at present there has been no review focusing solely, specifically and comprehensively on this field. Therefore, this paper places an emphasis on the latest research progress on the synthesis and physicochemical properties of functionalized mesoporous silica materials as well as their catalytic performance. The preparation methods included co-condensation, impregnation, grinding–calcination, hydrothermal synthesis and chemical precipitation, and their synthesis parameters played a major role in the characterization of materials, thereby affecting pollutant elimination. Metal redox cycles, nonmetallic activation and confinement effects contributed to persulfate activation. Targeted pollutants were degraded via radical pathways, non-radical pathways, or a combination of the two. The effects and causes of operational conditions (catalyst and persulfate dosage, initial pollutant concentration, temperature, initial pH, co-existing anions, and natural organic matter) varied across the degradation systems, and they were categorized and summarized in detail. Furthermore, functionalized mesoporous silica presented excellent reusability, stability and applicability in practical application. Finally, current potential directions for further research and sustainable development in this field were also prospected. This critical analysis aims to fuel the evolution of functionalized mesoporous silica catalyst-driven persulfate system application in water treatment and to bridge prevailing knowledge gaps. Full article

Per- and polyfluoroalkyl substances (PFASs) are highly chemically stable synthetic compounds. They are widely used in industrial and commercial sectors due to their ability to repel water and oil, thermal stability, and surfactant properties. However, this stability results in environmental persistence and bioaccumulation, posing significant health risks as PFASs eventually find their way into environmental media. Key PFAS compounds, including PerFluoroOctanoic Acid (PFOA), PerFluoroOctane Sulfonic acid (PFOS), and PerFluoroHexane Sulfonic acid (PFHxS), have been linked to hepatotoxicity, immunotoxicity, neurotoxicity, and endocrine disruption. In response to the health threats these substances pose, global regulatory measures, such as the Stockholm Convention restrictions and national drinking water standards, have been implemented to reduce PFAS exposure. Despite these efforts, a lack of universally accepted definitions or comprehensive inventories of PFAS compounds hampers the effective management of these substances. As definitions differ across regulatory bodies, research and policy integration have become complicated. PFASs are broadly categorized as either perfluoroalkyl acids (PFAAs), precursors, or other fluorinated substances; however, PFASs encompass over 5000 distinct compounds, many of which are poorly characterized. PFAS contamination arises from direct industrial emissions and indirect environmental formation, these substances have been detected in water, soil, and even air samples from all over the globe, including from remote regions like Antarctica. Analytical methods, such as primarily liquid and gas chromatography coupled with tandem mass spectrometry, have advanced PFAS detection. However, standardized monitoring protocols remain inadequate. Future management requires unified definitions, expanded monitoring efforts, and standardized methodologies to address the persistent environmental and health impacts of PFAS. This review underscores the need for improved regulatory frameworks and further research. Full article

Chrysin (5,7-dihydroxyflavone) is a flavonoid widely distributed in propolis, honey, and various plant sources. It exhibits a wide range of pharmacological activities, including anti-inflammatory, antioxidant, anticancer, antimicrobial, and anti-diabetic effects. However, its clinical translation is hampered by poor aqueous solubility, low bioavailability, and rapid metabolic clearance. To address these limitations and expand the chemical space of this natural scaffold, extensive synthetic efforts have focused on generating structurally diverse chrysin derivatives that possess improved drug-like properties. This review systematically categorizes synthetic methodologies—such as etherification, esterification, transition-metal-mediated couplings, sigmatropic rearrangements, and electrophilic substitutions—and integrates them with corresponding biological outcomes. Particular emphasis is placed on recent (2020–present) advances that directly link structural modifications with pharmacological enhancements, thereby offering comparative structure–activity relationship (SAR) insights. In addition, transition-metal-catalyzed C–C bond-forming reactions are highlighted in a dedicated section, underscoring their growing role in accessing bioactive chrysin analogs previously unattainable by conventional chemistry. Unlike prior reviews that mainly summarized biological activities or broadly covered flavonoid scaffolds, this article bridges synthetic diversification with pharmacological evaluation. It provides both critical synthesis and mechanistic interpretation. Overall, this work consolidates current knowledge and suggests future directions that integrate synthetic innovation with pharmacological validation and address pharmacokinetic challenges in chrysin derivatives. Full article

Endodontic sealers are crucial for achieving an effective root canal obturation, preventing reinfection and promoting long-term treatment success. This review categorizes sealers by chemical composition, including traditional types such as zinc oxide-eugenol, glass ionomer, silicone, methacrylate and epoxy resins, calcium hydroxide, and the latest bioceramic formulations. Each type is evaluated for its physicochemical properties, biocompatibility, sealing ability, antimicrobial activity, and clinical limitations. A significant focus is placed on recent research into modifications of these materials with antimicrobial agents, aimed at improving antibacterial properties, bioactivity, and sealing performance. Among these, chitosan emerges as the most promising additive due to its broad antimicrobial spectrum, low cytotoxicity, and enhancement of sealing capacity. While bioceramic sealers represent a notable advancement due to their bioactivity and favorable interaction with moist environments, concerns regarding potential neurotoxicity and retreatability remain. The article presents recent advancements in the enhancement of endodontic sealers through the incorporation of organic and inorganic additives. It further delineates key research priorities, particularly the integration of bioactive materials, nanotechnology, and naturally derived compounds, with an emphasis on their potential applications in pediatric endodontics. Overall, while contemporary sealers offer a wide range of benefits, continued innovation is needed to optimize their biological safety, mechanical performance, and clinical usability. Full article

This review provides a comprehensive analysis of natural fibers, addressing their classification, chemical composition, extraction methods, treatments, and diverse applications. It categorizes natural fibers into plant-based (cellulose-rich), animal-based (protein-based), and mineral-based types, detailing their unique structural and chemical properties. The paper examines traditional and advanced extraction techniques—including dew, water, enzymatic, chemical retting, and mechanical decortication—highlighting their impact on fiber quality and environmental sustainability. Furthermore, it reviews various chemical and biopolymer treatments designed to enhance fiber performance, reduce hydrophilicity, and improve adhesion in composite materials. The discussion extends to the multifaceted applications of natural fibers across industries such as textiles, automotive, construction, and packaging, underscoring their role in reducing reliance on synthetic materials and promoting eco-friendly innovations. The review synthesizes recent market trends and emerging fiber classifications, emphasizing the potential of natural fibers to drive sustainable development and informing future research in extraction efficiency, treatment optimization, and lifecycle analysis. Full article

Hierarchically porous polymers can unite macro-scale architected voids with micro-scale pores, enabling unique combinations of low density, high surface area, and controlled transport properties that are difficult to achieve with traditional methods. This review outlines the current advancements in creating such multiscale architectures using fused filament fabrication (FFF), the most widely used polymer additive manufacturing technique. Unlike earlier reviews that consider lattice architectures and foaming chemistries separately, this work integrates both within a single analysis. It begins with an overview of FFF fundamentals and how process parameters affect macropore formation. Design strategies for achieving macroporosity (≳100 µm) with a single thermoplastic are presented and categorized: 2D infill patterns, strut-based lattices, triply periodic minimal surfaces (TPMS), and Voronoi structures, along with functionally graded approaches. The discussion then shifts to functional filaments incorporating chemical or physical blowing agents, thermally expandable or hollow microspheres, and sacrificial porogens, which create microporosity (≲100 µm) either in situ or through post-processing. Each material approach is connected to case studies that demonstrate its application. A comparative analysis highlights the advantages of each method. Key challenges such as viscosity control, thermal gradient management, dimensional instability during foaming, environmental concerns, and the absence of standardized porosity measurement techniques are addressed. Finally, emerging solutions and future directions are explored. Overall, this review provides a comprehensive perspective on strategies that enhance FFF’s capability to fabricate hierarchically porous polymer structures. Full article

This systematic review analyzes emerging inducers that optimize the germination process of cereals and pseudocereals to enhance bioactive compound production, categorizing them as physical (UV-B radiation, electromagnetic fields, ultrasound, cold plasma), chemical (phytohormones, minerals, growth regulators), and biological (concurrent fermentation, microbial extracts). The results reveal that these inducers significantly increase specific metabolites such as GABA enrichment (up to 800%), phenolic compounds (50–450%), and carotenoids (30–120%) in various bioactive cereals and functional pseudocereals. The underlying mechanisms include enzymatic activation, signal transduction, and controlled stress responses, which improve the bioavailability of phenolics and other bioactive compounds. Critical technological considerations for industrial implementation, bioavailability, and biological efficacy of these compounds are addressed. Synergies between inducers demonstrate exceptional potential for developing ingredients with optimized bioactive properties, especially when combining physical and biological processes. This integrated approach represents a promising frontier in food technology for producing cereals and pseudocereals with enhanced nutritional and functional profiles, applicable in chronic disease prevention and functional food formulation. Full article

Eutrophication, a growing environmental concern, exacerbates algal blooms and alters the physical and chemical properties of water, thereby diminishing biodiversity, water quality, and ecosystem services. While various control strategies have been developed, most are designed for temperate regions and may not be applicable to tropical systems, which differ ecologically and climatically. This study reviewed 84 articles published between 2000 and 2024, focusing on eutrophication management in tropical and subtropical lakes. The studies were categorized into physical (8), chemical (17), and biological (59) approaches. Over time, research activity has increased, with Asia leading in publication output. Among biological strategies, biomanipulation—especially the use of macrophytes—emerged as the most common and effective strategy. Macrophytes are preferred due to their strong antagonistic interaction with algae, ease of implementation, cost-effectiveness, and minimal ecological risks. While the review also addresses the limitations of each method, it concludes that macrophyte-based biomanipulation remains a promising tool for mitigating eutrophication in tropical and subtropical freshwater ecosystems. In this context, effective lake restoration requires balancing ecological goals with human needs, supported by stakeholder engagement, community education, and multi-sectoral governance. Full article

As an important reserve resource for cultivated land, the improvement and fertility enhancement of saline-alkali land are key to alleviating the pressure on cultivated land and ensuring the sustainable utilization of land resources. Studying the regulatory effect of rotation patterns on the soil fertility of saline-alkali land is one of the core research contents in exploring low-cost and environmentally friendly comprehensive management strategies for saline-alkali land. This study focuses on Zhaoyuan County, a representative saline and alkaline area within the Songnen Plain. Utilizing remote sensing technology, crop information was systematically collected across 13 time periods spanning from 2008 to 2020. These data were employed to construct a comprehensive crop information change atlas. This atlas categorized crop rotation patterns based on crop combinations, rotation frequencies, and the number of consecutive years of planting. Using soil sampling data from 2008 and 2020, a soil fertility evaluation was conducted, and the changes in soil chemical properties and fertility under various crop rotation patterns were analyzed. The results of the study show that, during the study period, crop rotation patterns in Zhaoyuan County were dominated by paddy-upland rotations and upland crop rotations. Crop rotation patterns, categorized by crop combination, were dominated by soybean–maize–other crops rotation (S-M-O) and rice–soybean–maize–other crops rotation (R-S-M-O). The frequency of crop rotation is dominated by low- and medium-frequency crop rotation. Crop rotation significantly increased soil organic matter, total nitrogen content, and overall soil fertility in the study area, while simultaneously lowering soil pH levels. Crop rotation patterns with different crop combinations had significant effects on soil chemical properties, with smaller differences in the effects of different rotation frequencies and years of continuous cropping. Crop rotation patterns incorporating soybean demonstrate a significant positive regulatory impact on the soil fertility of saline-alkali land. Low-frequency crop rotation (with ≤5 crop changes) has a relatively better effect on improving soil fertility. This research provides important empirical support and decision-making references for establishing sustainable farming systems in ecologically fragile saline-alkali areas, ensuring regional food security, and promoting the long-term sustainable utilization of land resources. Full article