Search Results (862)

This review examines the application of Artificial Intelligence (AI) in the discovery and optimisation of neuroprotective natural products (NPs) for neurodegenerative diseases (NDDs), emphasising the transition from general computational drug discovery to AI-specific approaches designed to address the chemical complexity and bioactivity profiles of natural compounds. The discussion encompasses relevant datasets, AI models, illustrative case studies, and emerging protein and biological targets that may serve as potential points of intervention for the prevention and treatment of NDDs. The review is organised to guide the reader from foundational knowledge to applied strategies; it begins by outlining the chemical and biological principles underlying neuroprotective NPs, then presents AI-driven computational frameworks for NP discovery, followed by a detailed examination of recent case studies in NDDs. Subsequent sections address the key challenges, opportunities, and future directions in the field, concluding with an evaluation of prospects for interdisciplinary collaboration across medicinal chemistry, neuroscience, and artificial intelligence. Full article

Preservation of spermatogonial cells is of critical importance for male patients undergoing gonadotoxic therapies. Testicular organoids generated by 3D polymeric scaffolds filled with decellularized extracellular matrix (dECM) have the potential to promote stem cell growth. We propose a protocol to produce dECM from porcine prepubertal tunica albuginea for use in polymeric scaffolds. Spectroscopic analysis, molecular biology techniques, and histo-morphological assessment were used to evaluate the morphology and mechano-chemistry of the dECM at each phase of the process. The results obtained from this study demonstrate that the protocol can produce a high-purity product without causing significant alterations to protein conformation. The dECM obtained was then employed in the creation of a 3D scaffold for the cultivation of testis organoids. This was achieved by utilizing a mixture of alginate (A) and chitosan (C), which are natural polymers with a high degree of biocompatibility, that have extensive application in the field of biomedicine. Scaffold characterization demonstrated that the presence of dECM affects the scaffold’s mechanical properties by tuning structural reorganization and reducing hygroscopicity. The cell viability assay demonstrates that the A/C scaffolds are non-cytotoxic after a pre-phase of immersion in the medium. Full article

The pursuit of fine chemicals from natural sources is advancing rapidly, driven by a growing demand for safe, sustainable, and high-performance ingredients in cosmetic and pharmaceutical formulations. Emerging extraction and biotransformation technologies, including enzyme-assisted procedures, precision fermentation, and green solvent systems, are enabling the selective recovery of complex molecules with enhanced purity and stability. Simultaneously, AI-guided approaches to the discovery of bioactive compounds are accelerating the identification of multifunctional molecules exhibiting, for example, anti-inflammatory, antioxidant or microbiome-modulating activities. These developments not only expand the chemical diversity accessible to the cosmetic and pharmaceutical sectors but also promote the adoption of circular bioeconomy frameworks. Together, they define a new generation of natural fine chemicals with strong potential for targeted therapeutic and cosmetic applications. Accordingly, this commentary focuses on emerging trends and key technological advances in the use of renewable, natural sources for the production of fine chemicals relevant to cosmetic and pharmaceutical industries. It further highlights the critical roles of biotechnology, green chemistry, and digital innovation in shaping a more sustainable future for cosmetic and pharmaceutical chemistry. Full article

Lupin (Lupinus spp.), a legume known for its high protein content, holds great promise as a sustainable protein source to meet future global demands. Despite its nutritional benefits, including substantial dietary fibre and bioactive compounds, lupin remains underutilised in human diets due to several techno-functional and sensory limitations. This review delves into the techno-functional limitations of lupin, which include poor foaming capacity, low water and oil absorption, inadequate emulsification properties, and poor solubility. Lupin’s techno-functional limits are tied to the compact, heat-stable nature of its conglutin storage proteins and high insoluble fibre content. While research has been conducted on fermenting other legumes such as soybeans, chickpeas, peas, and lentils with Exopolysaccharide (EPS) producing bacteria, its application to lupin remains largely unexplored. Crucially, this work is one of the first reviews to exclusively link lupin’s unique protein and fibre structure with the specific polymer chemistry of bacterial EPS as a targeted modification strategy. Current research findings suggest that EPS-producing Lactic Acid Bacteria (LAB) fermentation can significantly improve the techno-functional properties of legumes, indicating strong potential for similar benefits with lupin. The analysis highlights various studies demonstrating the ability of EPS-producing LAB to improve water retention, emulsification, and overall palatability of legume-based products. Furthermore, it emphasises the need for continued research in the realm of fermentation with EPS-producing bacteria to enhance the utilisation of lupin in food applications. By addressing these challenges, fermented lupin could become a more appealing and nutritious option, contributing significantly to global food security and nutrition. Full article

Natural products represent one of the most diverse and functionally sophisticated groups of bioactive molecules found across plants, fungi, bacteria, and marine organisms. Recent advances in genomics, metabolomics, and chemical ecology have fundamentally redefined how these compounds are generated, regulated, and functionally deployed in nature. Increasing evidence reveals that chemical diversity arises not solely from taxonomic lineage but from ecological pressures, evolutionary innovation, and multi-organism interactions that shape biosynthetic pathways over time. Hybrid metabolic architectures, context-dependent activation of biosynthetic gene clusters, and cross-kingdom metabolic integration collectively portray a biosynthetic landscape far more dynamic and interconnected than previously understood. At the same time, mechanistic studies demonstrate that natural products rarely act through single-target interactions. Instead, they influence redox dynamics, membrane architecture, chromatin accessibility, and intracellular signaling in distributed and synergistic ways that reflect both ecological function and evolutionary design. This review synthesizes emerging insights into the evolutionary drivers, ecological determinants, and mechanistic foundations of natural product diversity, highlighting the central role of silent biosynthetic gene clusters, meta-organismal chemistry, and network-level modes of action. By integrating these perspectives, we outline a conceptual and methodological framework capable of unlocking the vast biosynthetic potential that remains dormant within natural systems. Collectively, these advances reposition natural product research as a deeply integrative discipline at the intersection of molecular biology, ecology, evolution, and chemical innovation. Full article

This study introduces an optimized and selective extraction methodology using dichloromethane/methanol (DCM/MeOH, 95:5, v/v) in combination with accelerated solvent extraction (ASE) for the targeted stilbenoid and phenanthrene derivatives from five orchid species: Cattleya nobilior (root), Cymbidium defoliatum (root and bulb), Dendrobium phalaenopsis (stem), Encyclia linearifolioides (leaf), and Phalaenopsis aphrodite (root). Sequential extraction was performed with hexane, followed by DCM/MeOH (95:5 and 1:1, v/v) under controlled temperatures (70 °C for hexane, 100 °C for DCM/MeOH), using three static cycles per stage. Chemical profiling by high-performance liquid chromatography with a diode-array-detector and tandem mass spectrometry (HPLC-DAD-MS/MS) enabled the identification of twenty specialized metabolites—seven stilbenoids and thirteen phenanthrenes—several reported here for the first time, including crepidatuol B, dendrosinen D, and coeloginanthridin. The analytical method showed excellent separation of structurally related phenolic compounds, demonstrating the efficiency of the extraction protocol and the selectivity of the solvent system. Many of the identification metabolites are known for cytotoxic, antioxidant, anti-inflammatory, and metabolic regulatory properties, while newly detected compounds remain unexplored and present promising candidates for future biological evaluation. The broad distribution of these metabolites across the studied orchids enhances the current understanding of their phytochemical diversity and suggests chemotaxonomic relevance within the Orchidaceae family. Importantly, the extraction strategy requires minimal plant material, offering ecological advantages when working with rare or endangered species. Overall, this environmentally conscious extraction approach provides a robust platform for metabolic discovery and supports future research in natural products chemistry, plant ecology, drug discovery, structure–activity relationships studies and biotechnological applications. Full article

Biflavonoids, a unique class of naturally occurring polyphenolic compounds formed by the dimerization of flavonoid units, have attracted increasing scientific interest due to their diverse biological activities and structural complexity. This review provides a comprehensive overview of their natural occurrence, synthetic strategies, and antimicrobial properties, with a particular focus on their antibacterial, antifungal, and antiviral activities. Comparative analyses indicate that biflavonoids often display enhanced or distinct biological effects compared to their monomeric flavonoid counterparts, suggesting that dimerization plays a crucial role in modulating bioactivity. Overall, biflavonoids represent an underexplored yet highly promising group of natural compounds with significant potential for the development of novel antimicrobial and antiviral agents. Continued interdisciplinary research integrating natural product chemistry, pharmacology, and computational modeling will be essential to fully realize their therapeutic potential. Full article

Biodegradable polymeric composites reinforced with natural fillers represent one of the most promising routes toward low-impact, circular, and resource-efficient materials. In recent years, a growing number of studies have focused on the valorization of plant- and animal-derived organic waste, ranging from agricultural residues and natural fibers to marine and livestock by-products. This review provides a comprehensive and comparative overview of these systems, analyzing the nature and origin of the waste-derived fillers, their pretreatments, processing strategies, and the resulting effects on mechanical, thermal, functional, and biodegradation properties. Particular attention is dedicated to the role of filler composition, morphology, and surface chemistry in governing interfacial adhesion and end-use performance across different polymeric matrices, including PLA, PCL, PBS, PHA, PHB, PBAT, and commercial blends such as Mater-Bi^®. The emerging applications of these biocomposites, such as packaging, additive manufacturing, agriculture, biomedical uses, and environmental remediation, are critically discussed. Overall, this work provides fundamental insights to support the development of the next generation of biodegradable materials, enabling the sustainable valorization of organic waste within a circular-economy perspective. Full article

This work provides the first systematic survey of the two–photon properties of 97 natural 9,10–anthraquinones from plants and fungi. A comprehensive computational dataset of two–photon absorption properties calculated using RI–CC2/aug–cc–pVDZ is presented. Single degenerate photon energies required for two–photon excitation span 491.6–1007.9 nm across the five lowest singlet states, with all S₀→S₁ transitions falling within the biological therapeutic window. Remarkably, S₃ state exhibits systematically enhanced TPA efficiency, with 60% of compounds surpassing 1 GM and achieving a mean cross–section of 29.9 GM–substantially higher than S₁ (mean: 7.5 GM). Three compounds demonstrate exceptional performance: cynodontin (73.6 GM, S₂), dermocybin (68.7 GM, S₄), and morindone (50.7 GM, S₃). Orbital analysis reveals that these excitations possess high configurational purity and diagnostics validating the single–reference treatment. The observed spatial separation between hole and particle NTOs, combined with extreme transition dipole anisotropy along the molecular long axis, indicates dipolar charge–transfer enhancement. Comprehensive structure–property analysis establishes that strategic modification may maximise TPA cross–sections. Comparison with aqueous–phase calculations for three compounds reveals non–systematic solvent–induced redistributions of TPA activity across excited states, indicating that gas–phase outcomes serve primarily as internal benchmarks and intrinsic descriptors of structure–property relationships rather than quantitative predictors of photoactivity. Full article

In the current industry standard of batch processing electrode slurry, manual cleaning processes pose significant challenges due to their labor intensive nature. The long-term objective is to expand the existing mixing process to create an intelligent, autonomous, and continuous slurry production process. This will result in a reduction in downtime and setup times, as well as an increase in the degree of automation. Additionally, the implementation of complex parameter selection in the mixing process is intended to make it manageable for variable recipes, ensuring efficient, resource-saving process control. This study aims to address this issue by investigating the continuous production of anode slurry and its subsequent cleaning in a laboratory extruder, with a focus on optimizing the cleaning conditions and analyzing the residual slurry. Several samples were taken during the cleaning of the process area and analyzed by UV-Vis spectroscopy, while also quantifying the residual slurry on the screw elements. The effectiveness of the cleaning was evaluated using Sinner’s Circle parameters, i.e., the effects of time, mechanical, chemical and thermal treatment on the effectiveness of the cleaning process are evaluated and discussed. Several detergents were tested, including deionized water, alcohol, and industrial detergents. Deionized water proved to be the most effective in terms of cleaning rate and residual slurry. In addition, higher screw speeds and flow rates improved cleaning efficiency. The effect of temperature was significant, with better cleaning rate results at higher temperatures. This indicates that mechanical and thermal factors play a critical role in improving cleaning kinetics. For a more in-depth knowledge of the resulting cell chemistry, successive cross-contamination of cathode materials in anode half-cells was examined. As a result, an indicator was identified in the first cycle that displays a voltage increase during delithiation with regard to electrochemical properties. Full article

Strawberries and blueberries are globally recognized for their dense nutritional profile, bioactive compounds, and health-promoting properties. Yet, their perishability and seasonality limit their availability, stability, and functionality in food and nutraceutical formulations. Drying technologies, particularly spray drying and freeze drying, are effective preservation strategies that convert fresh berries into stable, shelf-ready powders. However, the high sugar content, low glass transition temperature (Tg), and hygroscopic nature of berry matrices pose significant challenges in maintaining powder flowability, preventing caking, and ensuring structural integrity during processing, storage, and transportation. This review examines the physicochemical and surface properties of strawberry and blueberry powders as influenced by the drying method, environmental conditions, and carrier selection (e.g., maltodextrin, gum arabic, and whey proteins). Emphasis is placed on glass transition phenomena, moisture sorption behavior, and surface composition as determinants of physical stability and shelf life. The roles of water activity (aw), particle morphology, and interparticle interactions are analyzed in the context of formulation design and powder performance. Analytical techniques in characterizing bulk properties for the amorphous structure and sorption kinetics and probing surface properties of powders are crucial for understanding interactions with water, assessing flow, caking, sintering, and dissolution. By integrating insights from food physical chemistry and materials surface properties, this review provides a framework for the rational design of berry-based powders with improved handling, stability, and bio-functionality. The findings have direct implications for scalable production, global distribution, and the development of functional ingredients aligned with health and wellness priorities worldwide. Full article

Smart vesicle therapeutics represent a transformative frontier in nanomedicine, offering precise, biocompatible, and adaptable platforms for drug delivery and theranostic applications. This review explores recent advances in the design and engineering of liposomes, niosomes, polymersomes, and extracellular vesicles (EVs), emphasizing their capacity to integrate therapeutic and diagnostic functions within a single nanoscale system. By tailoring vesicle size, composition, and surface chemistry, researchers have achieved improved pharmacokinetics, reduced immunogenicity, and fine-tuned control of drug release. Stimuli-responsive vesicles activated by pH, temperature, and redox gradients, or external fields enable spatiotemporal regulation of therapeutic action, while hybrid bio-inspired systems merge synthetic stability with natural targeting and biocompatibility. Theranostic vesicles further enhance precision medicine by allowing real-time imaging, monitoring, and adaptive control of treatment efficacy. Despite these advances, challenges in large-scale production, reproducibility, and regulatory standardization still limit clinical translation. Emerging solutions—such as microfluidic manufacturing, artificial intelligence-guided optimization, and multimodal imaging integration—are accelerating the development of personalized, high-performance vesicular therapeutics. Altogether, smart vesicle platforms exemplify the convergence of nanotechnology, biotechnology, and clinical science, driving the next generation of precision therapies that are safer, more effective, and tailored to individual patient needs. Full article

The naphthoquinone juglone (5-hydroxynaphthalene-1,4-dione) (1) occurs abundantly in nature, especially in species belonging to the Juglandaceae family. Due to its multifaceted biological activities, this compound is considered a privileged structure in Medicinal Chemistry for the development of new prototypes with several biological and pharmacological actions. However, the regioselective synthesis of 2-substituted juglones is challenging due to the non-symmetric naphthoquinone nucleus. Starting from non-symmetric 2,3-unsubstituted naphthalenes, in this paper we describe two general synthetic routes to juglone derivatives bearing an unsaturated or an oxygenated aliphatic side chain at C(2) or C(3). In an MTT test, a few products were more active than the parent unsubstituted juglone as inhibitors of the viability of human lung cancer H460 and breast cancer MCF-7 cells. The most potent compound featured a 1′-acetoxyhomoprenyl sidechain at the carbon C(2) of juglone. Full article

Natural Product Synthesis (NPS) is a cornerstone of organic chemistry, historically rooted in the dual goals of structure elucidation and synthetic strategy development for bioactive compounds. Initially focused on identifying the structures of medicinally relevant natural products, NPS has evolved into a dynamic field with applications in drug discovery, immunotherapy, and smart materials. This evolution has been propelled by advances in reaction design, mechanistic insight, and the integration of green chemistry principles. A particularly promising development in NPS is the use of photochemistry, which harnesses light—a renewable energy source—to drive chemical transformations. Photochemical reactions offer unique excited-state reactivity, enabling synthetic pathways that are often inaccessible through thermal methods. Their precision and sustainability make them ideal for modern synthetic challenges. This review explores a wide range of photochemical reactions, from classical to contemporary, emphasizing their role in total synthesis. By showcasing their potential, the review aims to encourage broader adoption of photochemical strategies in the synthesis of complex natural products, promoting innovation at the intersection of molecular complexity, sustainability, and synthetic efficiency. Full article

Background/Objectives: Natural products containing hydroxyanthracene derivatives (HADs) such as Cascara (Rhamnus purshiana), Frangula (Rhamnus frangula), Rhubarb (Rheum palmatum), and Senna (Cassia angustifolia) have long been used for their laxative properties, but also raise safety concerns due to reported genotoxic and carcinogenic potential. Most studies have focused on quantifying HADs, whereas the broader secondary metabolite landscape of these herbal drugs remains underexplored. We aimed to generate an untargeted metabolomic fingerprint of these four species and to explore their chemical diversity using AI-based structural classification. Methods: Four commercial botanical raw materials were extracted with 60% methanol and analysed by UPLC–HRMS/MS in positive and negative ion modes. Features were processed in Compound Discoverer and annotated by accurate mass and MS/MS matching against spectral databases, then assigned to structural classes using a graph neural network classifier. Multivariate analyses (PCA, HCA) were used to compare metabolic patterns across species. Results: In total, 93, 83, 83 and 51 metabolites were annotated in cascara, frangula, rhubarb, and senna, respectively, spanning flavonoids, anthraquinones, phenylpropanoids and other classes. Only four flavonoids were shared by all species, indicating marked biochemical divergence. Several putatively species-enriched features were observed, including pavine in cascara and frangula, vicenin-2 in senna, and piceatannol in rhubarb. Senna displayed the most distinct metabolic profile, whereas cascara and frangula clustered closely. Conclusions: This work provides a chemistry-centred metabolomic fingerprint of four HAD-containing herbal drugs using graph-based neural networks for natural product classification, supporting future studies on the pharmacological potential, bioavailability and safety of their metabolites. Full article