Search Results (152)

Laurinterol, a halogenated sesquiterpene produced by red algae of the genus Laurencia, is one of the most characteristic compounds within the laurane and cyclolaurane families. This review compiles and examines current knowledge on laurinterol, integrating evidence on its occurrence, biosynthesis, biological activities, and structural features. Within a functional and ecological framework, laurinterol is proposed as an archetypal Smart Secondary Metabolite (SSM), a concept that reflects the convergence of structural singularity, high abundance within its biosynthetic context, broad biological activity, multi-target interactions, and ecological or chemotaxonomic relevance. This perspective highlights its role in adaptive processes within producing organisms and associated trophic networks. Laurinterol exhibits a broad bioactivity profile, including antimicrobial, antimycobacterial, cytotoxic, antiparasitic, enzyme inhibitory, antifouling, and insecticidal or repellent effects. Structure–activity relationship (SAR) studies remain limited and are mainly developed in specific models, particularly against Naegleria fowleri. The current intellectual property landscape related to laurinterol, including patent applications, granted patents, and technological development trends, is also examined. Overall, this review positions laurinterol as a structurally distinctive and functionally relevant marine metabolite within chemical ecology and marine natural products research. Full article

Plastic pollution has become an increasingly severe global environmental issue, highlighting the urgent need for efficient and sustainable biodegradation strategies. In this study, an enriched gut microbial consortium, NE-01 derived from Tenebrio molitor, exhibited significant degradation activity toward polystyrene (PS), polyethylene (PE), and polyethylene terephthalate (PET). Metagenomic sequencing revealed that Pseudomonas and Proteobacteria were the dominant taxa, maintaining high community diversity and providing a microbial foundation for the degradation of plastics and other complex organic compounds. Functional annotation and metabolic pathway analysis indicated that xenobiotic biodegradation and metabolism occupied a large proportion of the metabolic network, suggesting the consortium’s potential for degrading exogenous pollutants. Several key genes associated with the degradation of aromatic and halogenated compounds, such as benzoate, toluene, styrene, and bisphenol A, were identified. Metabolic reconstruction further suggested possible degradation pathways for PS, PE, PET, and the plasticizer di(2-ethylhexyl) phthalate (DEHP). This study preliminarily demonstrated that the T. molitor gut-derived microbial consortium harbors multiple plastic-degrading genes and provides a theoretical basis for developing green, microbe-based strategies for plastic degradation. Full article

Coastal groundwater in monsoon-dominated regions faces compounding threats from seasonal hydrological extremes and seawater intrusion (SWI), yet the molecular-scale response of dissolved organic matter (DOM) remains poorly understood. We conducted a two-season investigation in Mannar District, Sri Lanka, integrating hydrochemistry, fluorescence spectroscopy, and Fourier-transform ion cyclotron resonance mass spectrometry to characterize DOM dynamics across shallow and deep groundwater. Dry-season chloride averaged 302 mg/L (shallow—5 to 12 m) and 505 mg/L (tube wells—20 to 30 m), then declined by 60–80% during monsoon recharge. Despite this freshening, DOM dynamics were decoupled from salinity: shallow wells showed dry-season DOC peaks (6.64 mg/L) driven by soil concentration, while tube wells exhibited wet-season enrichment (5.02 mg/L). Shallow aquifers maintained consistently high humification indices (around 0.70) and aromatic-rich DOM, indicating sustained buffering by soil-derived inputs. In contrast, wet-season recharge in tube wells appeared to stimulate microbial processing, as indicated by elevated protein-like fluorescence (C2: 26% to 36%) and a higher contribution of nitrogen-bearing formulas (CHONs: 31.4% to 37.1%). Tube wells also accumulated reduced, energy-rich DOM with correspondingly high molecular lability indices. Paradoxically, correlation networks suggested that these saturated aliphatic and halogenated structures persist due to kinetic protection under low oxygen, high-salinity conditions. These findings indicate that aquifer structure and redox conditions control DOM biogeochemistry in coastal groundwater systems. At the molecular level, DOM dynamics are influenced by aquifer depth and seasonal recharge, leading to a decoupling between salinity and organic matter transformation. Full article

One-dimensional hybrid organic–inorganic semiconductors enable band-edge engineering through reduced dimensionality and interfacial orbital hybridization. Nevertheless, the electronic physics of Cu/Ag-based systems has received limited attention. Here, we perform high-throughput first-principles calculations on 90 Cu/Ag halide HOISs derived from experimentally reported parent structures to elucidate bonding-dependent electronic behavior. We uncover a clear transition from electronically isolated inorganic chains in ionic hybrids to strongly hybridized band edges in covalent and mixed-bonding hybrid frameworks, where ligand p orbitals cooperatively couple with Cu-derived states and halogen p orbitals. This hybridization produces p-orbital-dominated band edges, enhanced dispersion, and light-hole effective masses along the 1D chains. Guided by this bonding-driven mechanism, we further identify four Cu-based compounds, which are helpful for tuning light-harvesting properties in low-dimensional hybrid semiconductors. Full article

Pyrolysis of plastic from waste electrical and electronic equipment (WEEE) is a promising method for producing value-added chemicals. However, flame retardants in WEEE can cause halogen contamination in pyrolysis oil, reducing its value. This work aims to develop an innovative catalytic hydrodehalogenation (CHD) protocol for the removal of chlorobenzene and bromobenzene. Iron sulphate heptahydrate (FeSO₄·7H₂O) and nickel ammonium sulphate hexahydrate ((NH₄)₂Ni(SO₄)₂·6H₂O) were used as catalysts, while sodium borohydride (NaBH₄) acted as a hydrogen donor for iron reduction. The novelty of the process lies in the generation of nano zero-valent iron (nZVI) that takes place within the CHD reactor (in situ) without the addition of strong acids. Various experimental set-ups were investigated to optimise the key process parameters (e.g., reagent concentrations). The optimal conditions—obtained in the autoclave at 30 °C with a 1:1 molar ratio of chlorobenzene to catalyst, omission of nickel salt, and 5 mmol of NaBH₄—resulted in a 75% reduction in chlorobenzene and complete removal of bromobenzene. The results confirm the effectiveness of the proposed protocol for the dehalogenation of chlorobenzene and bromobenzene, which can facilitate the valorization of pyrolysis oils derived from plastic waste, contributing to the closure of the WEEE cycle (the widest and fastest-growing source of global waste with significant environmental, social and economic impacts). Full article

Pyrrolomycins and marinopyrroles are natural products originally derived from Streptomyces spp. that possess potent anti-infective activity against a variety of organisms, including drug-resistant bacteria and eukaryotic pathogens, especially pertinent amid the search for additional antimicrobial agents. These highly halogenated compounds have been proposed to act as protonophores, an uncommon mechanism of action that likely contributes to their broad-spectrum antibacterial activity. To improve efficacy and overcome limitations to clinical transition, promising derivatives of these natural compounds have been synthesized, introducing structural refinements that enhance pharmacological properties while preserving potent anti-infective activity. Recent discoveries demonstrate the potential of pyrrolomycins and marinopyrroles derivatives to serve as broad-spectrum anti-infective agents with efficacy against drug-resistant bacteria, bacterial biofilms, parasitic infections, and some viruses. Full article

Steroidal compounds lie at the crossroads of inflammation and cancer, where modulation of common signaling pathways creates opportunities for dual-action therapeutic intervention. Accumulating evidence indicates that their anti-inflammatory and antitumor activities are frequently interconnected, reflecting shared molecular mechanisms that regulate immune signaling, oxidative stress, cell proliferation, and apoptosis. This review provides a critical and comparative analysis of major classes of bioactive steroids—including furanosteroids, neo-steroids, aromatic steroids, α,β-epoxy steroids, peroxy steroids, cyanosteroids, nitro- and epithio steroids, halogenated steroids (fluorinated, chlorinated, brominated, iodinated), and steroid phosphate esters—with emphasis on their dual anti-inflammatory and anticancer potential. More than one thousand steroidal metabolites derived from plants, fungi, marine organisms, bacteria, and synthetic sources are surveyed. While the majority exhibit either anti-inflammatory or antineoplastic activity alone, only a limited subset displays potent activity in both domains. Comparative evaluation highlights the structural features that favor dual functionality, including epoxide, peroxide, nitrile, nitro, halogen, and phosphate ester moieties, as well as rearranged or heteroatom-enriched steroidal frameworks. Where available, biological data from in vitro and in vivo assays (IC₅₀ values, enzyme inhibition, cytokine modulation, and antiproliferative effects) are summarized and critically compared. Special attention is given to rare natural metabolites—such as polyhalogenated marine steroids, phosphorylated sterols, and heteroatom-containing derivatives—as well as synthetic analogues designed to enhance cytotoxic or immunomodulatory efficacy. Mechanistically, steroids exhibiting dual activity commonly modulate convergent signaling pathways, including NF-κB, JAK/STAT, MAPK, PI3K/AKT, redox homeostasis, and apoptosis regulation. Collectively, these findings underscore the potential of structurally optimized steroids as multifunctional therapeutic agents and provide a framework for the rational design of next-generation anti-inflammatory and anticancer drugs. Full article

Human exposure to persistent organic pollutants such as polychlorinated biphenyls (PCB) and brominated flame retardants (BFR), including both legacy and emerging compounds, remains a concern due to their bioaccumulative nature and potential health effects. Comprehensive analytical methods are necessary to monitor these substances in complex biological matrices, such as human serum. A gas chromatography–mass spectrometry (GC-MS) method was developed for the simultaneous determination of 44 analytes, encompassing PCB and a broad spectrum of BFR with diverse physicochemical properties. The extraction procedure and GC-MS parameters were optimized using a design of experiments approach to maximize performance while minimizing analysis time. The method demonstrated high sensitivity, precision, and accuracy, thereby meeting internationally recognized validation criteria for biomonitoring applications. To further ensure analytical reliability, compound confirmation was achieved using gas chromatography–high-resolution mass spectrometry, providing enhanced selectivity and confidence in identification, particularly for low-level analytes. Key advantages of the method include its applicability to analytes with significantly different chemical behaviors and its capacity to quantify a large number of target compounds simultaneously. This makes it a powerful tool for assessing human exposure to both regulated and emerging halogenated contaminants. Full article

With the rapid development of urbanization, municipal waste incineration (MWI) has become the primary method of waste disposal in urban areas, leading to growing concerns about volatile organic compounds (VOC) emissions. This study conducted full-process VOC field sampling at a representative MWI plant in China to investigate the emission characteristics and removal efficiencies of air pollution control devices (APCDs). A total of 59 VOC species were identified in the flue gas, including 5 alkanes/alkenes, 14 aromatics, 8 oxygenated-VOCs, and 32 halogenated hydrocarbons. The activated carbon injection combined with fabric filters and wet desulfurization tower demonstrated varying removal efficiencies across VOC groups, with synergistic removal efficiencies being ranked as follows: alkanes/alkenes (90.9%) > aromatics (87.0%) > halogenated hydrocarbons (61.3%) > O-VOCs (42.2%). The total VOC removal efficiency reached 77.5%. The VOCs emission factor of the MWI plant was calculated as (1.9 ± 0.6) × 10³ ng/g-waste, which would rise to (8.4 ± 2.1) × 10³ ng/g-waste in the absence of APCDs. This indicates that the current APCD system reduces VOC emissions by approximately 6.52 × 10⁴ g annually from this MWI plant, highlighting the crucial role of multistage APCDs in mitigating VOC pollution. Full article

The increasing emphasis on green chemistry and environmentally responsible organic synthesis highlights the need to evaluate not only the biological activity but also the ecological safety of bioactive molecules. Xanthone, cinnamic acid, and chalcone scaffolds are widely explored in pharmaceutical and cosmetic research, yet their environmental profiles remain insufficiently characterized. This study assessed the ecotoxicity of simple derivatives from these three structural classes using the Microtox assay with the bioluminescent bacteria Aliivibrio fischeri. Test compounds were synthesized or obtained commercially, dissolved in dimethyl sulfoxide (DMSO), and evaluated at two exposure times (5 and 15 min), with half maximal effective concentration (EC₅₀) values calculated based on luminescence inhibition. The results revealed substantial differences between the investigated groups: chalcone derivatives exhibited uniformly high ecotoxicity, whereas cinnamic acid derivatives showed the most favorable environmental profile with low variability in EC₅₀ values. Xanthone derivatives displayed the widest ecotoxicity range, with toxicity strongly dependent on substituent type and substitution position. Notably, chloro-substitution in cinnamic acid derivatives correlated with lower toxicity, while positional effects were critical in the xanthone series. A comparison with in silico predictions generated using the ADMETlab platform showed poor correlation with the experimental outcomes. The predictive model did not distinguish the differing ecotoxicological behavior of α,β-unsaturated systems in chalcones versus cinnamic acids and systematically flagged halogenation as a toxicity-driving feature, contrary to several of our in vitro observations. Together, these findings provide new insights into structure–ecotoxicity relationships and underscore the need to complement computational predictions with validated experimental assays when designing bioactive compounds with improved environmental safety. Full article

Introduction: Globally, microbial infections are projected to be among the leading causes of death by 2050 due to rising drug resistance. Antimicrobials are vital for treating both animals and humans worldwide. However, their overuse and misuse accelerate drug resistance, posing a serious threat to public health. Coumarin is a naturally occurring compound contributing health-beneficial features in drug discovery. Its high solubility in organic solvents, high bioavailability, simple structure, low toxicity, and low molecular weight make it an ideal candidate for combining with other pharmacophores to develop new therapeutic agents. This compound exhibits several biological activities, including antimicrobial, anticancer, anti-inflammatory, antidiabetic, neuroprotective, and anticoagulant effects, motivating medicinal researchers to hybridize it with other compounds to enhance its pharmacological efficacy. Hybridization of different pharmacophores via suitable linkers, including cleavable and non-cleavable ones, is a promising approach in drug development, resulting in new therapeutics with improved biological activity. Therefore, the hybridization of coumarin with other pharmacophores has become an interesting paradigm for medicinal scientists. Aim: This review aims to summarize the existing scientific literature on coumarin-based hybrid compounds with antimicrobial capabilities and discuss the structure–activity relationship (SAR) of these hybrids to potentially guide future research on and development of coumarin-based drugs for microbial treatment. Material and Methods: The review focuses on open-access literature about coumarin hybrid drugs available through searching tools such as Google, Google Scholar, ScienceDirect, and Scopus, published from 2024 to 2025. Results: Coumarin hybrids exhibit promising antimicrobial activity, particularly against S. aureus and C. albicans. The SAR reveals that halogenation, bulky aromatics, nitro, and hydroxyl groups enhance the interaction of the coumarin rings with amino acid residues. Conclusions: The reported coumarin hybrids showed a promising antimicrobial activity, with structural modifications influencing their activity. Hence, more studies, including more pre-clinical and clinical evaluations, are recommended for these hybrid compounds. Full article

The discharge of pollutants into rivers has been increasing with the rapid industrial development and extensive agricultural use of pesticides and herbicides. Halogenated organic compounds (HOCs) represent a significant class of environmental pollutants. It has been found that microorganisms have the ability not only to degrade HOCs but also to synthesize them. Little is known about the halogenation and dehalogenation potential of microorganisms in river waters. In this study, we investigated the halogenation and dehalogenation potentials of microorganisms in the Yangtze River, which originates from the Tibetan Plateau, flows through southwestern, central and eastern China, and finally joins the East China Sea. A systematic metagenomic and bioinformatics analysis identified and quantified genes encoding four dehalogenases and two halogenases, providing fundamental data for the halogen cycle in the Yangtze River water body. The study showed that the microbial community in the Yangtze water body was mainly associated with dehalogenation potential, and the relative abundance of dehalogenase genes was higher than that of halogenase genes. Among the microorganisms with halogenation and dehalogenation potentials, Pseudomonadota and Actinomycetota dominated. Some microorganisms possessed both halogenation and dehalogenation functions, suggesting a potential adaptive strategy to environmental fluctuations. The presence of diverse and complete dehalogenation metabolic pathways highlights the microbial potential for bioremediation. These microorganisms not only contribute to the degradation of halogenated organic matter but also play crucial roles in carbon, nitrogen, and sulfur cycling. This study provides essential data for understanding microbial halogenation and dehalogenation potential in the Yangtze River, offering insights into the microbial-driven biogeochemical cycling mechanisms in its waters. Full article

This study provides the first comprehensive characterization of fluid components in cordierites from both moderate- to high-pressure granulite facies of the Aldan Shield (Sutam and Nimnyr blocks), and granulite–amphibolite facies of the Yenisei Ridge (Kan and Yenisei series of the Angara–Kan complex), Russia, using integrated infrared and Raman spectroscopy coupled with pyrolysis-free gas chromatography–mass spectrometry (GC-MS). Granulite-facies cordierites record CO₂-dominated fluids (X_CO2 = CO₂/(H₂O + CO₂) = 0.74–0.99) with elevated values (X_CO2 = 0.89–0.99) in high-pressure, high-temperature (high-P-T) samples from the Sutam block and Kan series compared to moderate-P-T samples from the Nimnyr block (X_CO2 = 0.74–0.84). Amphibolite-facies cordierites (Yenisei series) show significantly lower CO₂ contents (X_CO2 = 0.51–0.57) and higher H₂O concentrations relative to high-pressure granulites. Critically, we report the first identification in cordierites of at least 12 homologous series of organic compounds and nitrogenated, sulfonated, and halogenated compounds. These results provide new constraints on fluid behavior across metamorphic facies transitions. Full article

The crystal structures of the 2-amino-5-halogenopyridines (halogen = Cl (1), Br (2)) and 2,3-diamino-5-halogenopyridines (halogen = Cl (3), Br (4)) were compared with respect to their intermolecular interactions. An ab-initio-based method for evaluating the interaction energies between molecules was employed to estimate the driving forces of crystal formation. As a result, regularities in crystal structure organization were identified. For compounds 1 and 2, a dimeric building unit is formed by two N–H…N_pyr hydrogen bonds. These dimers are further connected to neighboring units by C–H…π, C–H…N, N…X (X = Cl, Br), and non-specific interactions. The aforementioned intermolecular interactions give rise to layered structures that are similar but not isotypical. No significant contributions from π–π or N–H…N(H₂) interactions are observed in 1 and 2. The structures of 3 and 4 are isotypical and crystallize in the non-centrosymmetric space group P2₁2₁2₁. The most important intermolecular interactions are N–H…N_pyr, N–H…N(H₂), and stacking interactions. These interactions lead to identical columnar-layered structures in both 3 and 4. No significant contributions from halogen bonds of the type N…X (X = Cl, Br) are found in 3 and 4. Full article

Axially chiral compounds play a pivotal role in organic synthesis, materials science, and pharmaceutical development. Among the various strategies for their construction, enantioselective iodination and bromination have emerged as powerful and versatile approaches, enabling the introduction of halogen functionalities that serve as valuable synthetic handles for further transformations. This review highlights recent advances in atroposelective iodination and bromination, with a particular focus on the synthesis of axially chiral biaryl and heterobiaryl frameworks. Key catalytic systems are discussed, including transition metal complexes, small-molecule organocatalysts, and high-valent metal catalysts in combination with chiral ligands or transient directing groups. Representative case studies are presented to elucidate mechanistic pathways, stereochemical induction models, and synthetic applications. Despite notable progress, challenges remain, such as expanding substrate scope, improving atom economy, and achieving high levels of regio- and stereocontrol in complex molecular settings. This review aims to provide a comprehensive overview of these halogenation strategies and offers insights to guide future research in the atroposelective synthesis of axially chiral molecules. Full article