Pyrite is a ubiquitous sulfide mineral widely employed to activate peroxydisulfate (PDS) for organic pollutant degradation. While conventional strategies often rely on complex physical or chemical modifications to enhance reactivity, they frequently overlook the intrinsic catalytic potential of natural surface impurities. Herein, we demonstrate that pristine natural pyrite, without any artificial pretreatment, exhibits superior PDS activation efficiency compared to its purified counterparts. Molecular-level investigations using FT-ICR MS and XPS reveal that surface-associated Natural Organic Matter (NOM)-predominantly lipid- and protein-like species-acts as a critical "chemical ignition switch". In the presence of surface NOM, the degradation efficiency of the target antibiotic Ofloxacin increased to 94.0% within 4 h, significantly outperforming the NOM-depleted (water-washed) control (52.5%). Electron Spin Resonance (ESR) analysis confirms that carbon-centered radicals generated from the oxidative transformation of NOM, work synergistically with hydroxyl (•OH) and sulfate radicals (SO₄•⁻), to accelerate pollutant mineralization. Crucially, contrary to the view of NOM as a passive blocker, we identify a distinctive "Homogeneous Ignition - Heterogeneous Renewal" mechanism, where NOM initiates the reaction via radical generation, while intrinsic mineral etching sustains long-term catalytic activity. These findings provide new insights into the synergistic interaction between natural minerals and organic matter, advocating for the direct application of unpurified ores in cost-effective advanced oxidation processes.
The development of tacrine derivatives aims to evaluate their biological potential as inhibitors of acetylcholinesterase and butyrylcholinesterase, enzymes involved in the cholinergic system. In this study, we aimed to synthesize 1,3,4,10-tetrahydroacridin-9(2H)-one (THA), a tacrine analogue, and examined the effects of a THA-supplemented diet on behavioral and biochemical parameters in Drosophila melanogaster. Drosophila melanogaster was fed a diet supplemented with THA at different concentrations from the larval stage until the fifteenth day of adulthood. A diet containing 0.025 mM THA increased mortality after 10 days of feeding. However, larvae fed 0.1875 mM THA showed no toxic effects. Biochemical analyses revealed that ingesting 0.1875 and 0.250 mM THA elevated nitrite, hydrogen peroxide, and lactate levels in the flies' thoraces. Notably, 0.1875 and 0.250 mM THA increased citrate synthase activity in the thorax and head of the flies. However, 0.1875 mM THA showed higher acetylcholinesterase activity only in the thorax, suggesting cholinergic modulation in muscle. These findings suggest that THA supplementation supports neural and muscle health in this animal model and may be a potential treatment for chronic diseases.
The MYC oncoprotein is a master regulator of cell growth and transcriptional amplification and is aberrantly overexpressed in a broad spectrum of human cancers, including colorectal carcinoma. Despite its central role in tumorigenesis, MYC has remained pharmacologically intractable due to its intrinsically disordered architecture, which lacks persistent small-molecule binding pockets. Here, we report a chemical biology strategy that exploits MYC's structural disorder as a therapeutic vulnerability. By combining small-molecule disruption of the MYC-MAX protein-protein interaction with pharmacological activation of the 20S proteasome, we induce rapid and pronounced depletion of MYC in MYC-dependent colorectal cancer cell lines. MYC loss is proteasome-dependent and persists following knockdown of FBXW7, indicating a degradation mechanism distinct from canonical SCF-FBXW7-mediated turnover and consistent with direct 20S proteasomal degradation. Dual treatment also suppresses MYC-driven transcriptional programs and significantly enhances apoptotic cell death. Collectively, these findings establish a framework in which protein-protein interaction inhibition sensitizes intrinsically disordered oncoproteins to 20S proteasome-mediated degradation. This work expands the therapeutic landscape for MYC-driven malignancies and highlights proteasome activation as a complementary strategy for targeting structurally disordered cancer drivers.
In this research, we have utilized similarity analysis, synthetic accessibility assessment, and fragment design strategies to examine fluorescent chromophores. An experimental database of optical properties containing greater than 7,000 unique chromophores was utilized to assess the distribution of compounds with high photoluminescence quantum yield (PLQY). The SYnthetic Bayesian Accessibility (SYBA) scoring system was utilized to determine compounds with high fluorescence efficiencies and synthetic accessibility. Three representative compounds of high PLQY (H6, H7, H10) were utilized as standards and compared to the Harvard Organic Photovoltaic Database (HOPV15), demonstrating their structural uniqueness compared to a wide range of organic compounds. Chemical network analysis of the compounds demonstrated diversity in the structure of the compounds and their relation to fluorescence efficiencies. Fragment design using the BRICS algorithm generated greater than 2,600 compounds, some of which exhibited high structural similarity to high-efficiency fluorescent compounds and high synthetic accessibility scores.
Tumor metastasis is the primary cause of death from malignant tumors. The elucidation of its molecular mechanism is of great significance for breakthroughs in targeted therapy. In this study, a microfluidic chip platform integrating "dynamic dilution-precise capture-mechanical stimulation-in situ analysis" was constructed. Through the design of bionic narrow channels, efficient separation of exosomes and functional research at the single-cell level were achieved. On the one hand, the mechanical microenvironment within the chip was utilized to regulate the secretion of tumor cell exosomes (increasing secretion levels by more than twofold) and the expression of key proteins, revealing the exosome-mediated cell invasion behavior. On the other hand, using breast cancer as a model, the malignant transformation effects of exosomes derived from highly metastatic MDA-MB-231 cells and low-metastatic MCF-7 cells on normal MCF-10A breast epithelial cells were comparatively analyzed. The transformation efficiency was preliminarily verified using the CD43 (a marker associated with malignant transformation), and the reasonable inference was established regarding the regulatory role of PD-L1 in the epithelial-mesenchymal transition (EMT) process. Experiments were then conducted on whole blood samples (processing time for 0.5 mL whole blood <10 min). The study provides new potential targets and intervention strategies for cancer immunotherapy.
Safe and Sustainable by Design (SSbD) is a concept introduced in the Chemical Strategy for Sustainability of the European Commission, with the ambition of guiding innovation in chemicals and materials design towards the minimisation of impacts on human health and the environment. To operationalise this concept, the Joint Research Centre of the European Commission developed a scientific framework, which integrates safety and environmental sustainability considerations. Such framework was then adopted by the European Commission in a recommendation, for the use of companies and research institutes working on the development of chemicals and materials. The framework brings together two different aspects: safety and environmental sustainability. Safety is addressed looking at intrinsic properties of the chemicals and assessing risks related to exposure scenarios for workers, consumers and environment. While the environmental sustainability aspect is assessed via the application of Life Cycle Assessment (LCA) following the provisions of the Product Environmental Footprint method. While literature on LCA of chemicals is expanding, there is still a number of open issues to be addressed. The goal of this study is to test via a case study the use of LCA to assess six plasticisers, assessing the framework's applicability and proposing approaches to address challenges and research needs. Seven pivotal challenges are presented and discussed. They cover all the phases of the life cycle, from the goal and scope (benchmark definition and application to intermediate products) to Life Cycle Inventory (LCI) (availability of data, modelling of end of life, additional information and innovation perspective) and Life Cycle Impact Assessment (LCIA) (impacts from substances of concern). The case study examined and the seven identified challenges are starting points for the future development of the Safe and Sustainable by Design framework and its application aimed at promoting sustainable innovation in the manufacturing of chemicals and materials.
Materials properties depend strongly on chemical composition, i.e., the relative amounts of each chemical element. Changes in composition lead to entirely different chemical arrangements, which vary in complexity from perfectly ordered (i.e., stoichiometric compounds) to completely disordered (i.e., solid solutions). Accurately capturing this range of chemical arrangements remains a major challenge, limiting the predictive accuracy of machine learning potentials (MLPs) in materials modeling. Here, we combine information theory and machine learning to optimize the sampling of chemical motifs and design MLPs that effectively capture the behavior of metallic alloys across their entire compositional and structural landscape. The effectiveness of this approach is demonstrated by predicting the compositional dependence of various materials properties-including stacking-fault energies, short-range order, heat capacities, and phase diagrams-for the AuPt and CuAu binary alloys, the ternary CrCoNi, and the TiTaVW high-entropy alloy. Extensive comparison against experimental data demonstrates the robustness of this approach in enabling materials modeling with high physical fidelity.
While several environmental carcinogens are well-established in the development of bladder and kidney cancer, the role of microplastic exposure remains poorly understood. Micro- and nanoplastics (MNPs), often released during plastics manufacturing and recycling, are emerging pollutants that may carry carcinogenic additives or act as chemical vectors in air and water. Ohio-a major hub for plastics production-has experienced rising rates of bladder and kidney cancer, prompting an investigation into the spatial relationship between cancer incidence and exposure to plastics-processing waste. We conducted a geospatial epidemiological study using data from the Ohio Cancer Incidence Surveillance System (OCISS) from 2013 to 2021, alongside environmental exposure estimates derived from the Environmental Protection Agency (EPA's) Toxics Release Inventory (TRI) and Risk-Screening Environmental Indicators (RSEI) model. Chemicals were categorized into adjusted plastics-processing waste (APPW), known bladder and kidney carcinogens, and combined exposures. Incidence and exposure data were analyzed at the ZIP Code Tabulation Area (ZCTA) level using spatial statistics (Moran's I, bivariate Moran's I, and Mantel tests), local cluster detection, and spatial regression. Between 2013 and 2021, both bladder and kidney cancer incidence increased across Ohio, with notable geographic clustering of cases. Spatial analysis demonstrated that regions with higher environmental exposure to chemicals used in plastics-processing, particularly via air, had significantly higher rates of both cancers. Airborne bladder carcinogens showed the strongest spatial association with cancer incidence (bivariate Moran's I = 0.0510, P = 0.004; Mantel P < 0.001), followed by airborne microplastics (bivariate Moran's I = 0.0589, P = 0.007). Waterborne microplastics, while not spatially clustered on their own, were significantly associated with higher bladder and kidney cancer rates (kidney: bivariate Moran's I = 0.0940, P = 0.001). When combining all plastics-related exposures, spatial relationships remained robust, suggesting a cumulative effect. These patterns were most prominent in industrial ZIP codes, particularly in northern and southwestern Ohio. Our findings reveal significant spatial associations between plastics-related industrial emissions and both bladder and kidney cancer incidence in Ohio. These patterns suggest an environmental component to urologic cancer risk, with airborne exposures showing the strongest spatial alignment. The results warrant deeper mechanistic studies and targeted epidemiological investigations in high-exposure communities to further assess causality and inform public health interventions.
This study aims to deepen the understanding of how oxygen transfers through wine bottle closures and their chemical reactivity and kinetics during storage. A miniaturized bottle system was designed to enable measurements with or without model wine. Different physical and chemical mechanisms, each with its own kinetics, were revealed through oxygen permeability measurements. Four main mechanisms were identified, each occurring over different timescales. In the first days of storage, rapid equilibrium is established between the gas and liquid phases of the model wine. During the early months, oxygen diffuses from the cork cells into the gas phase in the system. Phenolic compounds are then extracted from the cork and react with the oxygen released from the sealing system into the liquid phase, leading to a decrease in oxygen content over several months. Ultimately, long-term oxygen permeation through the closure results in a gradual, continuous increase in oxygen content within the mini-bottle system.
Catheter-associated urinary tract infections (CAUTIs) account for approximately 80% of urinary tract infections (UTI) and can lead to adverse outcomes. Most CAUTIs are polymicrobial with resilient communities maintaining a consistent composition of species over time. However, the mechanisms promoting persistence are poorly understood. Here, we examine how a chemical interaction between Enterococcus faecalis and Klebsiella pneumoniae can explain their high rate of co-occurrence on long-term indwelling catheters. Sequence analyses of longitudinal isolates from several patients coinfected with E. faecalis and K. pneumoniae revealed that despite frequent replacement, catheters became recolonized with the same or a nearly identical consortium of strains throughout the collection period. Using artificial urine medium (AUM), monoculture revealed that the K. pneumoniae isolates grew robustly and formed biofilm, while the E. faecalis isolates grew poorly and did not form biofilm. However, coculture of paired isolates resulted in enhanced E. faecalis growth and biofilm, which could be reproduced by supplementing E. faecalis with K. pneumoniae conditioned AUM supernatant (KpAUMSup). Analyses using comparative transcriptomics, mutant strains, and chemical inhibitors with cell culture and murine CAUTI models revealed that (i) KpAUMSup, but not AUM, stimulated expression of the E. faecalis Fsr quorum sensing system; (ii) Fsr was required for E. faecalis to respond to KpAUMSup; (iii) E. faecalis cultured in KpAUMSup was more efficient in initiating CAUTI; and (iv) disruption of Fsr inhibited initiation of CAUTI. This interspecies signaling may help explain the high rate of co-colonization of these CAUTI pathogens and highlights therapeutic strategies to treat polymicrobial CAUTI.
Photoelectrochemical (PEC) oxidation of biomass-derived organics (e.g., glycerol) can outperform water oxidation while coproducing value-added chemicals. However, the kinetic basis of this enhanced performance, such as hole consumption dynamics and space-charge-layer (SCL) trap filling under PEC operating conditions, remains poorly understood. Using BiVO4 as a model photoanode, we combine operando optical and photocurrent spectroscopies, including trap-selective pump-push photocurrent (PPPC) mapping, to track bulk and interfacial charge-carrier dynamics over the femtosecond-to-second (fs-s) time scale. Overall, we show that glycerol oxidation accelerates interfacial hole consumption, lowering the surface-hole density required to sustain a given photocurrent, thereby suppressing SCL trap filling and trap-mediated recombination. Glycerol increases the per-hole turnover frequency 32-fold (∼3.5 to ∼113.2 s-1) and the photocurrent density at 1.23 VRHE from ∼0.5 to ∼1.3 mA cm-2, while formic acid and dihydroxyacetone are the dominant quantified liquid products. Spatially resolved PPPC mapping (over ∼20 mm2) shows that glycerol also suppresses localized trap-filled hot spots. Glycerol leaves the dominant early time bulk carrier dynamics largely unchanged while suppressing the microsecond buildup of trapped electrons in the SCL. These results highlight microsecond time-scale kinetic competition between interfacial hole consumption and SCL trap filling as a key design principle for PEC oxidation of renewable organics.
This study presents a novel approach to modeling fluid and ion transport in the proximal convoluted tubule (PCT) of the nephron using bond graphs. Bond graphs provide a robust framework for analyzing complex systems, explicitly depicting multi-domain energy exchange. Leveraging the modular nature of bond graphs, we first defined resistive modules representing membranes and capacitive modules representing solution-filled compartments, then coupled them using circuit theory. Our implementation extends beyond previous bond graph models of physiological processes by explicitly representing volumetric flow as a distinct variable within capacitive modules. In so doing, our model enables the consideration of mechanotransduction effects, where changes in fluid volume can influence membrane transporter activity, a crucial aspect of PCT function. Our bond graph model of the PCT (BG-PCT) comprises four fluid compartments bounded by five distinct membranes. The BG-PCT considers five chemical species (Na + , K + , Cl - , HCO 3 - , and glucose) and six key membrane transporters distributed across the different membranes. Each structural subsystem comprises elementary thermodynamic processes, including dissipation, free-energy change, and power flow. This study demonstrates the advantages of bond graph modeling, particularly in its capacity to couple multiple energy domains and its modularity, which enables future extensibility. The BG-PCT provides a flexible, thermodynamically consistent platform for in silico research on epithelial transport dynamics and is available on GitHub under an open-source license to facilitate future research.
Bamboo sugars such as glucose and cellobiose can be transformed into valuable biochemicals. Cellobiose, a glycosyl precursor, enables the synthesis of C-glycosyl flavonoids, such as vitexin, a bioactive compound in bamboo extracts. This study engineered a recombinant strain to produce vitexin from apigenin and cellobiose. Optimizing conditions increased the vitexin production to 3092 mg/L. To reduce the production cost of vitexin, the enzymatic hydrolysate of alkali-pretreated bamboo was utilized to replace cellobiose, serving as both the glycosyl donor precursor and the carbon source for the recombinant strain to produce vitexin. By optimization of the conditions of bamboo pretreatment and enzymatic hydrolysis with peptone, 100 g of bamboo can produce 18.1 g of cellobiose and 11.3 g of glucose, and the cellobiose and glucose can be used to produce 37.9 g of vitexin in the recombinant strain. This study provides a novel method for the production of vitexin using enzymatic hydrolysis of bamboo cellulose.
Preterm infants are at heightened risk of skin injury and infection due to the immaturity of their epidermal barrier and immune defenses. Safe wound cleansing options remain limited in this population. To evaluate cutaneous safety and tolerability associated with use of a pure hypochlorous acid-preserved cleanser (pHA) in preterm and neonatal patients with complex wounds. This retrospective study evaluated the cutaneous safety of a pHA in 100 preterm and neonatal patients with complex wounds admitted to a tertiary care facility between January 2023 and July 2025. Demographic, clinical, and wound data were extracted from the electronic medical record. pHA was applied at each wound care encounter and was continued until wound closure, discharge, or transfer of care. Patients received a mean of 7.6 pHA applications over a mean treatment duration of 18.7 days. The youngest treated infant was born at 21 weeks' gestation. Across 766 cumulative applications, no cutaneous adverse effects or wound-related complications were observed, including contact dermatitis, erythema, chemical burns, infection, or secondary breakdown. In patients receiving pHA concurrently with other advanced wound therapies, no cutaneous adverse effects attributable to combined use were identified. This retrospective series represents the largest reported evaluation to date of cutaneous safety and tolerability associated with pHA use in neonatal patients. Future prospective multicenter studies are warranted to further characterize cutaneous safety of pHA use and to evaluate efficacy outcomes in neonatal wound care.
Caspofungin is an antifungal agent used for the treatment of severe fungal infections, which is semi-synthesized from pneumocandin B0, a secondary metabolite produced by filamentous fungus Glarea lozoyensis. To identify new pneumocandin analogues, a chemical reinvestigation was carried out on G. lozoyensis. This endeavor resulted in the isolation of pneumocandin B0 and two previously undescribed pneumocandin derivatives, designated as pneumocandins B7 and B8. Their structures were elucidated using HRESIMS and NMR spectroscopic analyses. Pneumocandins B7 and B8 represent the first reported pneumocandin analogues with a hydroxylated 10,12-dimethylmyristate (DMM) moiety. Antifungal activity assays revealed that pneumocandins B7 and B8 exhibited reduced antifungal efficacy across all eight tested Candida strains in comparison to pneumocandin B0. These findings suggest that the introduction of a hydroxyl group in the DMM moiety has a negative effect on the antifungal activity. These results enrich the structural diversity of the pneumocandin family and provide new insights into the structure-activity relationship of pneumocandins.
The Gaoyou duck, a premium indigenous Chinese breed, is renowned for its unique flavor profile. However, the volatile chemical basis and the underlying genetic mechanisms contributing to its distinctive aroma remain largely uncharacterized. In this study, solid-phase microextraction coupled with gas chromatography-mass spectrometry(SPME-GC-MS) was employed to analyze the volatile profiles of cooked breast meat from Gaoyou and Pekin ducks. In the comparative analysis between breeds, a total of 89 volatile compounds were identified, primarily consisting of aldehydes, ketones, esters, and alcohols. Comparative analysis revealed that Pekin ducks possessed significantly higher levels of aldehydes, ketones, and sulfur-containing compounds, whereas Gaoyou ducks exhibited a significant enrichment of esters, with 54 of these 89 compounds identified as significantly differential. To further decipher the genetic architecture underlying these flavor traits, a metabolite-based genome-wide association study (mGWAS) was conducted in an expanded Gaoyou duck population (n = 109) . By utilizing 94 volatile compounds identified in this larger population as quantitative phenotypes, we identified key genomic loci and prioritized candidate genes. Notably, PANK2 was identified as a potential regulator of 2-acetyl-2-thiazoline synthesis by modulating L-cysteine metabolism. Additionally, EEF1A2 may influence hexadecanal production by regulating lipid homeostasis through phosphatidylinositol-4-phosphate (PI4P). This study systematically characterized the differences in volatile compound profiles in the breast muscle of Gaoyou and Pekin ducks, and identified potential genetic regulatory factors influencing volatile compounds in Gaoyou ducks.
Nucleic acid modification constitutes a pivotal regulatory mechanism in cancer, influencing the entire process of tumor development, diagnosis, treatment, and prognosis. This review delineates the role of diverse chemical modifications-including methylation, demethylation, N6-methyladenosine, and 5-methylcytosine-in governing genomic stability and cellular dysfunction across DNA, coding RNA, and non-coding RNA levels. The research paradigm of nucleic acid modification in cancer is transitioning from static modification maps to dynamic, interconnected modification networks. Moreover, the crosstalk between nucleic acid modifications and nucleic acid processing further intensifies epigenetic remodeling and oncogenic risk. Elucidating the fundamental mechanisms underlying these modifications will provide critical insights into their overarching significance in cancer initiation and maintenance, while offering promising diagnostic and therapeutic targets for precise targeted treatment of cancer at the nucleic acid level.
Laboratory medicine remains the cornerstone of disease detection, clinical management, monitoring, and public health surveillance. Increasing population needs and rising disease burdens, particularly in low- and middle-income countries (LMICs), continue to expand the volume of diagnostic testing, resulting in substantial generation of biomedical waste. Effective laboratory waste management is therefore essential for protecting personnel, maintaining high-quality service delivery, and minimizing environmental harm. However, many LMICs face persistent challenges due to inadequate infrastructure, insufficient training, limited financial resources, and weak regulatory enforcement - that compromise safe and efficient waste handling. This review explores affordable, scalable and sustainable measures to strengthen laboratory waste management in resource-constrained settings. It categorizes the main types of laboratory waste - infectious/biological, chemical, sharps, and general waste - and examines common barriers to appropriate disposal. Guided by various international standards including International Organization for Standardization (ISO) 15189 and 14001, Eco-Management and Audit Scheme (EMAS) and World Health Organization (WHO) recommendations, and drawing on experiences from other LMICs, the review discusses practical, low-cost interventions such as improved test utilization, workflow optimisation, Artificial Intelligence (AI)-supported waste classification and digital tracking systems. The importance of workforce training, government engagement, public-private partnerships, and involvement of non-governmental organisations is also emphasised. To foster a culture of responsible waste management, the review proposes behavioural and accountability mechanisms including linking efficiency to key performance indicators, providing institutional recognition, documenting non-conformances, and applying consequence management where necessary. Sustainable and cost-effective waste management is achievable in resource-limited settings when supported by committed leadership, coordinated stakeholder action, and continuous quality improvement. Corporate bodies can play a pivotal role by providing strategic leadership, mobilising resources and strengthening workforce capacity.
Liver fibrosis (LF) is a precursor to cirrhosis. Approved therapies remain limited and are restricted to specific etiologies, necessitating effective anti-LF interventions. Huaganjian decoction (HGJD) has long been used for chronic liver diseases. However, the mechanism of action and active components remain unclear. This study aimed to characterize anti-LF efficacy of HGJD and clarify its mechanism through a phenotype-component-target-pathway evidence chain. The anti-LF efficacy of HGJD was first evaluated in CCl4-induced mouse LF and TGF-β1-stimulated hepatic stellate cell (HSC) activation models. HGJD alleviated hepatic injury and fibrotic remodeling, reduced collagen deposition, extracellular matrix accumulation, inflammatory mediators, and fibrogenic markers. It also suppressed HSC proliferation and migration while promoting apoptosis and cell-cycle arrest. The chemical composition of HGJD was profiled using UPLC-Q-Exactive MS/MS, and network pharmacology identified inflammation as a key hub, linking HGJD active compounds to fibrosis-related targets. Integrated metabolomics and transcriptomics converged on the reversal of a metabolism-inflammation imbalance. HGJD exerts multi-component synergistic effects to modulate pathological networks through a dual mechanism: by reducing adenosine levels, thereby removing a critical upstream metabolic trigger, and by directly inhibiting the signaling pathway. The dual mechanism, supported by loss-of-function, gain-of-function, and adenosine rescue experiments, allowed HGJD to inhibit HSC activation, reduce extracellular matrix accumulation-related protein expression and deposition, and promote fibrosis regression. HGJD mitigates LF by reprogramming the metabolism-inflammation-fibrosis axis, centered on blockade of the NF-κB/NLRP3/IL-18 feed-forward circuit, providing a mechanistic rationale for its multi-component anti-LF potential.
p-Phenylenediamine (PPD) rubber antioxidants and their quinone transformation products (PPD-Qs) are global emerging contaminants that pose severe threats to ecological environments. Abandoned antioxidant sites are key pollution sources, yet limited knowledge regarding their subsurface distribution, transformation drivers, and risks hinders precise site governance. Herein, N-(1,3-dimethylbutyl)-N'-phenyl-p-phenylenediamine (6PPD), 6PPD-Q (6PPD's quinone), N-isopropyl-N'-phenyl-p-phenylenediamine (IPPD), IPPD-Q (IPPD's quinone), and p-aminodiphenylamine (PADPA) at an abandoned PPD production site were investigated via field sampling, chemical analysis, correlation analysis and multi-dimensional risk assessment. Results show that the contaminant distribution was dominated by production layout and stratigraphy with weak migration. Quinone/parent compound ratios in groundwater were far higher than in shallow soil, driven by superoxide anions (O2•-) in vadose soil and regulated by pH and dissolved oxygen in groundwater. For health risks, soil 6PPD-Q and IPPD-Q showed maximum hazard index (HI) of 19.88 and 28.97, whereas the corresponding maximum acceptable concentration in groundwater was merely 1.61 ng L-1. Ecologically, 6PPD and 6PPD-Q contaminated soil exhibited maximum risk quotients (RQ) of 540.77 and 19.90, and posed significant aquatic transfer risks. This work fills critical knowledge gaps in subsurface PPD/PPD-Q pollution, and emphasizes the urgency of incorporating PPDs and PPD-Qs into site regulatory frameworks.