Lirong Gao

Coal combustion releases aromatic compound (AC) mixtures far more complex than the 16 EPA-priority polycyclic aromatic hydrocarbons (PAHs). Here, a high-resolution in-house database targeting 104 aromatic compounds prioritized by structural carcinogenicity alerts and structural analogy was developed to complement NIST library matching for screening fly ash, slag, and soil from five coal-fired power plants (CFPPs). This dual-database strategy increased the identification rate by 9.2% and captured 29 compounds previously unreported in the analyzed CFPP-related matrices. A total of 393 ACs spanning 24 structural classes were annotated. Cross-matrix profiling revealed distinct chemical shifts, from primary 1-ring products in slag to secondary chlorinated species in fly ash and ultimately to persistent high-molecular-weight PAHs in soils, suggesting that the observed AC patterns were associated with differences in unit efficiency, end-of-pipe control, and operational history across the five CFPPs. Incremental lifetime cancer risk assessment demonstrated that emerging PAHs contributed 60% of the total carcinogenic risk in fly ash despite comprising only ∼2% of total AC concentrations, with 4-ring compounds identified as the predominant risk drivers. Sensitivity analysis confirmed that assessments restricted to literature-derived toxic equivalency factors underestimate the full carcinogenic potential. These findings reveal a critical yet underrecognized toxic fraction in CFPP fly ash, underscoring the need for risk-oriented management strategies that explicitly incorporate emerging PAHs.

Phospholipids are biocompatible and versatile materials commonly used in the design of nanodelivery systems. However, the relationship between the structural characteristics of phospholipids and the physiological behavior of lipid-based nanoparticles remains inadequately understood. To explore the key structural features influencing efficient and targeted delivery, we created a library of phospholipid-coated gold nanoparticles (Lip@AuNPs), comprising 12 distinct formulations. These nanoparticles varied systematically in their headgroups (PA, PS, PC, and PE) and aliphatic chain lengths (6:0, 12:0, and 18:0). We investigated their effects on protein adsorption, cellular uptake, and in vivo delivery. Our findings showed that phospholipids with zwitterionic headgroups (PC and PE) reduced complement protein adsorption, enhanced selective uptake by nonphagocytic cells, and promoted increased accumulation in the spleen. Conversely, AuNPs coated with phospholipids containing shorter aliphatic chains exhibited higher serum protein adsorption, resulting in decreased and nonselective cellular uptake, which extended the circulation time of the nanoparticles in the bloodstream. This combinatorial approach provides valuable insights into the role of the phospholipid structure in nanoparticle design and offers practical guidance for developing lipid-based delivery systems with improved targeting and therapeutic efficacy.

Premade foods have been popular in recent years, but compounds from foods and their packaging may be harmful. A nontargeted screening method was developed for analysis of volatile and semivolatile organic compounds. Fully automated data for molecular network visualization was developed to automatically identify natural substances and substances permitted for addition to food. The workflow tackles the inefficiency of manual processing for massive raw data, which successfully narrowed down over 1,800 raw compounds to 80 for final manual inspection. Hazardous compounds like polycyclic aromatic hydrocarbons, phthalate esters, bisphenol, and organophosphate ester were successfully identified. In addition, other functional chemicals like antioxidants or preservatives were also identified to exist in food, among other suspicious nonintentional compounds, and a lot of them were outside current suspect lists, posting for further concern. The overall intake risk was estimated to be low, but given the current trend toward stricter regulations on bisphenols, the detection of bisphenols in some food samples remains a cause for concern. During chemical prioritization, 1,2-diphenylcyclopropane (PAHs transform product), 3-acridinol, and 9-phenyl (resin making chemical) ranked high due to high toxicity. Nontargeted analysis, combined with our robust data mining and data trimming workflows, can serve as a powerful tool for food safety assessments.

This study systematically assessed the dietary exposure risks of short-chain and medium-chain chlorinated paraffins (SCCPs and MCCPs) through chicken consumption in China, where these persistent organic pollutants are widely produced and used. As an important component of the Chinese diet, chicken was selected as the research matrix due to its high lipid content and potential for chlorinated paraffin bio-accumulation, while available data on these contaminants in market-sold chicken remains limited. We collected 126 representative commercial chicken samples from eight major provinces and municipalities across China and conducted precise analysis using two-dimensional gas chromatography with electron capture negative ionization mass spectrometry (GC×GC-ECNI/MS). The probabilistic exposure assessment was performed through Monte Carlo simulation, and health risks were characterized using the margin of exposure (MOE) approach. The results revealed mean concentrations of 95.8 ng/g wet weight (range: 9.5–1542.4 ng/g ww) for SCCPs and 156.6 ng/g ww (range: 20.0–1517.9 ng/g ww) for MCCPs in chicken samples, with Jiangsu Province exhibiting significantly higher contamination levels compared to other regions (p < 0.001). The estimated mean dietary exposures through chicken consumption were 32.8 ng/kg bw/d for SCCPs and 52.6 ng/kg bw/d for MCCPs in the general Chinese population. Notably, children aged 3–6 years and the Consumer only showed the highest exposure levels. All calculated MOE values substantially exceeded the risk threshold of 1000, indicating no significant health concerns from current exposure to SCCPs and MCCPs through chicken consumption in China.

Chlorinated paraffins (CPs) are a class of persistent organic pollutants that pose potential human health risks through dietary exposure. In this study, we analyzed CPs in 55 chicken egg samples collected from five regions across China. Short-chain chlorinated paraffins (SCCPs) and medium-chain chlorinated paraffins (MCCPs) were detected using a two-dimensional gas chromatograph coupled with an electron-capture negative-ionization mass spectrometer. Dietary exposure risks were assessed using the margin of exposure (MOE) approach based on the food consumption data of Chinese residents from 2018 to 2020. The average concentrations of SCCPs and MCCPs in all samples were 28.4 ng/g wet weight (ww) and 176.5 ng/g ww, respectively. The congener profiles of SCCPs and MCCPs were similar across different regions, with C_10–11 Cl_6–7 as the dominant homologs. For MCCPs, the average contributions of C₁₄-CP, C₁₅-CP, C₁₆-CP, and C₁₇-CP were 25%, 21%, 27%, and 27%, respectively. The estimated daily intake (EDI) for the entire population was 18.3 ng/kg body weight (bw)/d for SCCPs and 118.3 ng/kg bw/d for MCCPs. In the consumer-only group, the average exposure levels of SCCPs and MCCPs were 27.8 ng/kg bw/d and 174.1 ng/kg bw/d, respectively. This preliminary risk assessment indicates that there is no health risk to the Chinese population from exposure to CP through consumption of chicken eggs.

Chemical exposure contributes to maternal pregnancy complications like gestational hypertension (GH), anemia, and gestational diabetes mellitus (GDM). However, current studies remain fragmented due to limited analysis of compounds, impeding mechanistic insights. Here, we present a novel framework that integrates high-throughput analysis and large language model-based text mining to identify organic compounds while leveraging existing massive data, thereby enabling a comprehensive understanding of pregnancy complication mechanisms and establishing an exposure atlas. Using this approach, we identified five compounds in human milk for the first time, including carbazole and 4,4'-diphenoxybenzophenone, and 35 additional compounds not previously linked to pregnancy complications. We further employed text mining to comprehensively uncover disease-specific chemical signatures based on global data: GH with polycyclic aromatic hydrocarbons (PAHs) and derivatives (e.g., 2-methylnaphthalene and acenaphthene), anemia with nitrogen-containing compounds (e.g., 4-methoxyformanilide), and GDM with long-chain carboxylic acids (e.g., 2,4,7,9-tetramethyldec-5-yne-4,7-diol). Further analysis revealed pathogenic mechanisms: PAHs and derivatives promoted oxidative stress in GH, nitrogen-containing compounds damaged red blood cells in anemia, and long-chain carboxylic acids interfered with mitochondrial function in GDM. These findings construct an atlas of organic compounds associated with pregnancy complications and offer new leads for understanding their environmental origins.

Dietary intake is the major route of human exposure to fat-soluble and persistent chlorinated paraffins (CPs), which tend to accumulate in lipid-rich foods such as edible vegetable oils. This study investigated the levels of short-chain (SCCPs) and medium-chain chlorinated paraffins (MCCPs) in commercially available vegetable oils and assessed their potential health risks. The concentrations of SCCPs and MCCPs in 29 commercial edible vegetable oils were analyzed using comprehensive two-dimensional gas chromatography coupled with electron capture negative ionization mass spectrometry (GC × GC-ECNI-MS). Dietary exposure levels were estimated through probabilistic assessment integrating analytical results with dietary consumption data from the Chinese Total Diet Study (2017–2020). The margin of exposure (MOE) approach was employed for risk characterization. The average concentrations of SCCPs and MCCPs were 112 ng/g and 139 ng/g, respectively. The highest SCCP and MCCP concentration were found in sesame oil and peanut oil, respectively. Overall, MCCPs levels were generally higher than SCCPs. The estimated daily intakes (EDIs) of SCCPs and MCCPs were 56.06 and 73.63 ng/kg bw/d on average, with high consumers (P95) exposed to 180.91 and 230.49 ng/kg bw/d, respectively. Corresponding MOE at P95 were 1.27 × 10⁴ for SCCPs and 1.56 × 10⁵ for MCCPs. The current SCCPs and MCCPs dietary intake originated from edible vegetable oils did not pose a significant health risk. This study provides the first probabilistic exposure assessment of CPs in Chinese edible vegetable oils, offering current contamination profiles.

Liquid crystal monomers (LCMs) have attracted increasing attention due to their bioaccumulation potential and dioxin-like toxicity. However, human exposure to LCMs remains unclear. Fifty-eight of the 78 targeted LCMs were detected in human milk collected from Hunan Province, China. For the first time, 20 nonfluorinated LCMs were quantified in human milk, with concentrations ranging from ND to 60.0 ng/g lipid weight (lw). The ∑LCMs concentrations (median: 27.1 ng/g lw) were higher than those of other persistent organic pollutants. Fluorinated biphenyls and analogues (69%) were the predominant group of LCMs, followed by biphenyls and analogues (17%) and cyanobiphenyls and analogues (14%). Trans-1-Ethoxy-2,3-difluoro-4-(4-pentylcyclohexyl) benzene (EDPeB) was the most abundant compound, contributing 22.5% to the ∑LCMs concentration. The levels of certain LCMs significantly correlate with maternal body mass index, parity, and dietary preference on meats and aquatic food (p < 0.05). Breastfeeding was identified as the primary exposure pathway for infants, with median estimated daily intakes (EDIs) of LCMs (0.133-101 ng/kg bw/day) surpassing those from dust ingestion, dermal contact, and complementary food intake. Despite an acceptable hazard index (HI < 1), the EDIs of EDPeB and trans,trans-4-(4-fluorophenyl)-4'-propylbicyclohexyl exceeded their threshold of toxicological concern values, indicating potential health concerns.