Neonicotinoid insecticides (NEOs) have become the most widely used class of insecticides globally since the 1990s, owing to their high insecticidal efficacy, broad spectrum, and low acute toxicity to mammals. However, their widespread application, high water solubility, environmental persistence, and systemic properties have led to ubiquitous contamination in various environmental media, biota, and food products. This chapter systematically reviews the emission pathways, environmental distribution, and ecological and human health risks of NEOs and summarizes the latest advances in risk control technologies. NEOs are primarily emitted through industrial wastewater discharge, agricultural runoff, and sewage treatment plant effluents, and are frequently detected in water, soil, air, and biological matrices (human urine, tea, milk, and wildlife). Human exposure occurs mainly dietary intake, with children and neonates showing higher vulnerability due to maternal–fetal transfer and immature metabolic systems. Ecologically, NEOs pose significant risks to non-target organisms, including birds, bees, and aquatic invertebrates, affecting their health, behavior, reproduction, and survival. Risk control strategies for NEOs include physicochemical technologies (adsorption, photocatalysis, Fenton-like processes) and biotechnologies (microbial degradation, phytoremediation), each with unique advantages and limitations. Key challenges remain the low detectability of transformation products, their potential toxicity, and the need for synergistic control strategies. This chapter provides a comprehensive overview of the environmental effects and environmental risk prevention and control for emerging contaminants, NEOs.
Nowadays, industrial wastewater contains abundant refractory organic pollutants, which seriously threaten ecological environment and human health. As an eco-friendly and efficient technology, photocatalysis is a promising approach for wastewater purification. Nevertheless, the rapid recombination of photogenerated carriers greatly limits the practical application of conventional photocatalysts. Introducing oxygen vacancies (OVs) into photocatalysts is an effective strategy to solve this problem and improve photocatalytic activity. In this study, we facilely synthesized 0D/2D BiOBr-OVs/g-C3N4 heterojunction by a one-pot solvothermal method, which was composed of zero-dimensional (0D) oxygen vacancy BiOBr-OVs and two-dimensional (2D) g-C3N4 components. The 0D/2D heterojunction exhibited enhanced visible-light degradation for the hazardous pollutant 1-naphthoic acid. And its removal rate by 0D/2D composites was up to 76.3% after 100 min of irradiation, which was 1.61 and 1.45 times those of 2D g-C3N4 and 0D BiOBr-OVs. The noticeably increased removal efficiency of 0D/2D composites for 1-naphthoic acid was attributed to the rational utilization of oxygen vacancies to promote charge carrier separation. And the tight bonding between components also contributed to photoinduced carrier migration and exerted a synergistic effect for photocatalysis. Possible degradation pathways were proposed for the intermediates via gas chromatography-mass spectrometry (GC-MS) qualitative analysis, and their toxicity was evaluated using the Toxicity Estimation Software Tool (T.E.S.T.). This paper provides an innovative approach for one-step manufacture of 0D/2D nanojunctions with oxygen vacancies, and advances to prospective organic photodegradation applications.
In this study, global spatial autocorrelation, local spatial autocorrelation, Spearman correlation analysis, gray correlation analysis, entropy weight method, and the gravity model were used to analyze the spatiotemporal variation and environment-urban-economy-associated factors of air quality of 31 provinces in China during 2015 similar to 2022. From 2015 to 2022, the Air Quality Index (AQI) exhibited a downward trend in 30 out of 31 Chinese provinces, with the exception of Shaanxi Province. Concurrently, the annual average concentrations of PM2.5, PM10, SO2, NO2, and CO declined across the study period. High-high clusters and low-high outliers were observed in northern China, whereas low-low clusters and high-low outliers were distributed in southern China. Twelve provinces (38.7%) showed positive correlation (0.095 similar to 0.95), 18 provinces (58.1%) showed negative correlation (-0.76 similar to 0.095), and only Anhui showed no correlation between AQI and O-3. The comprehensive AQI quality presented a dual-core model in Sichuan (in the southwest) and Henan (in the central part) of China, while the comprehensive AQI improvement rate presented a single-core model in Jiangsu in the east of China. The gravity models incorporating AQI and GDP revealed that both air quality and economic performance improved over the study period. The spatial pattern of pollution evolved from a multi-core structure to a non-core structure, whereas the pattern of economic growth transitioned from a non-core structure to a dual-core structure, with the Beijing-Tianjin-Hebei region and the Yangtze River Delta emerging as the primary urban agglomerations.
As an important city in northern China and a key node of the ecological security barrier, Hohhot is affected by multiple superimposed factors, including the climate, dust storms, heating in winter, rapid urbanization and industrial transformation. Air quality of Hohhot exhibits significant spatio-temporal variation. Therefore, revealing the seasonal differences, spatial distribution characteristics and multi-factor driving mechanisms of air quality in Hohhot is of great significance for urban development transformation and regional sustainable development. The spatio-temporal variation of air quality in Hohhot from 2015 to 2023 was investigated, then the environment-economy-urban driving factors were analyzed using spearman correlation analysis, grey correlation degree analysis and entropy weight method. The results indicated that air quality index (AQI) of Hohhot showed a improvement trend from 87 to 82 during 2015–2023 (decrease rate 5.75 AQI of Hohhot decreased from 87 to 82 (2015-2023), with minimum value of 66 (2018) Pollutants (except O3) exhibited heating season high/non-heating season low pattern AQI is positively correlated with environmental pollutant emission factors AQI is negatively correlated with economic growth and urban development factors The most critical driving factor for Hohhot’s AQI improvement is urban green area
Amide herbicides (AHs), commonly applied in agriculture, are now known to inhibit the activity of alkaline phosphatase (AKP), subsequently disturbing the soil microbial community and spurring significant shifts in soil nutrient dynamics. The complex mechanisms governing the interaction between AHs and AKP, along with the impact of halogen substituents in AHs on AKP function and this study sets out to investigate these interactions. By integrating computational docking techniques with Spearman correlation analysis and focusing on seven typical AHs, we probed the mechanisms of the AHs–AKP complex and aimed to clarify the structure-activity relationship between these herbicides and AKP. Our findings disclose that within the AKP–AHs complex, the proportion of neutral amino acids peaked at 48.41
Amide herbicides (AHs) disturbed urease (UA) activity and soil microbial community and caused soil nutrient changes. Activity of UA was inhibited by AHs via groups of chlorine, benzene ring, and peptide bond (-N-/-CO-). Differences of surface charge distribution were mainly derived from position to connected -Cl, distance of -O- from ether group and -N from peptide bond, difference of structure/length for hydrocarbon chain, and different regions of negative charge enrichment. Developmental toxicity for alachlor was strongest related to smaller structure and weaker steric hindrance effect; mutagenicity for propanil was weakest possibly related to missing ether group. Molecular mechanism and structural activity relationship for inhibition of AHs and UA were based on functional groups, amino acids with high frequency, hydrogen bonds, hydrophobic interactions, binding area (BA) of butachlor (396.3 & Aring;2), absolute value of binding energy (|BE|) of propanil (2.93 kJ/mol; which was highest), and quantitative structural relationship between BA and |BE|, which was negative correlation. Binding area for AHs and UA had negative correlation for density with correlation coefficient (r) as -0.937 (p <= 0.01). Absolute value of binding energy for AHs and UA had positive correlation for density with r as 0.847 (p <= 0.05), and negative correlation for molecular weight with r as -0.973 (p <= 0.001). Results provided technological support and theoretical foundation for toxic effects of soil enzyme activity, health effects, risk regulation, and control of AHs.
Amide herbicides (AHs) significantly disrupt biogeochemical cycling of soil elements, particularly carbon, through the inhibition of key soil enzymes (SEs) activities. This study explores interactions between seven typical AHs and two SEs through molecular docking, density functional theory (DFT) calculations, and biotoxicity assessment to elucidate molecular mechanisms and structure-activity relationships (SAR) of these interactions. The study identifies key mechanisms underlying AHs-induced inhibition of SEs, focusing on functional groups, frequently occurring amino acids, hydrogen bonds, hydrophobic interactions, and the binding areas (BA) of pretilachlor (404.48 & Aring;(2) for beta-glucosidase A (BG)) and butachlor (325.17 & Aring;(2) for alkaline invertase (AKI)). The absolute binding energies (|BE|) of propanil (2.94 kJ/mol for BG and 2.93 kJ/mol for AKI) were the highest, highlighting a significant SAR. A strong negative correlation was observed between BA and |BE| (r = -0.891, P <= 0.01). The biotoxicity of propanil, as indicated by the LC50 for fathead minnow in 96 h (LC50-96h, mg/L), IGC(50) for Tetrahymena pyriformis in 48 h (IGC(50-48h), mg/L), and LC50 for Daphnia magna in 48 h (LC50-48h, mg/L), was strongest. This enhanced toxicity is likely attributed to its smaller molecular structure, reduced steric hindrance, and higher halogen content (chlorine atoms). Differences in bulk phase and surface charges distribution were mainly influenced by the position of the Cl group, the distance of the O from the ether group, the N from the peptide bond, hydrocarbon chain length, and regions of negative charge enrichment. Correlations between BA, |BE|, and molecular weight (MW) of AHs with BG showed a positive relationship (r = 0.973, P <= 0.001), as well as a positive correlation with density (r = 0.836, P <= 0.05). Conversely, negative correlations were observed between BA, |BE|, and density (r = -0.811, P <= 0.05), and MW (r = -0.982, P <= 0.001). Similar correlations were found for AHs and AKI with density (r = 0.836, P <= 0.05), and negative correlations with MW (r = -0.955, P <= 0.001 and r = -0.982, P <= 0.0001). These findings suggest that the physicochemical properties of AHs drive the observed interactions with SEs.
Zinc oxide (ZnO) nanoparticles anchored onto the MXene surface (ZnO/MXene photocatalysts) were synthesized via hydrofluoric acid etching and solventthermal method. The photocatalytic performance of ZnO/MXene composites was evaluated by degrading methyl orange (MO) and p-nitrophenol (p-NP). MXene has a lamellar structure, while ZnO nanoparticles mostly form aggregated spheres. The ZnO/MXene composite maintains this lamellar morphology, with aggregated spherical ZnO nanoparticles on the surface, edges, and interlayer spaces of lamellar structure, thus forming a sandwich-like composite. When the mass ratio of ZnO to MXene in ZnO/MXene composite is 1:1 and catalyst dosage is 0.5 g·L-1 or 0.7 g·L-1, the optimal removal rates for MO and p-NP reach 100% and 74%, respectively. Compared to individual MXene and ZnO, the ZnO/MXene composite shows enhanced photocatalytic activity. This can be attributed to the nanoconfinement effect of MXene and interface interactions between ZnO and MXene. The change in surface charge distribution mainly stems from the S=O bond for MO, causing an increase in energy gap and chemical hardness of its degradation intermediates. However, the surface charge distribution changes are mainly due to the N=O bond for p-NP, resulting in increased the highest occupied molecular orbital (EHOMO) values and chemical potential, while the electronegativity and Electrophilicity indices decrease in its degradation intermediates.
Titanium dioxide (TiO2) has garnered significant research interest in recent years for its application in the photocatalytic degradation of organic matter, owing to its affordability, high chemical stability, and environmental compatibility. However, TiO2’s wide band gap (3.0–3.2 eV) and low quantum efficiency (< 20 %) hinder its photocatalytic performance. Conductive polymers (CPs), due to their high electrical conductivity and adjustable band gaps, can enhance the absorption of visible light by TiO2 and inhibit the recombination of electron-hole pairs, providing a solution to address these limitations. As a result, CPs are widely employed to modify TiO2. This paper reviews the most commonly used CPs for TiO2 modification, such as polyaniline (PANI), polypyrrole (PPy), and polythiophene (PTh), along with typical modification techniques. Studies the photocatalytic mechanism and the mechanism of enhanced photocatalytic activity of CPs-modified TiO2, highlighting the roles of photosensitization and the synergistic effects of CPs modification in enhancing photocatalytic efficiency. Discusses the application of CPs-modified TiO2 in water treatment, and finally looks ahead to the opportunities and challenges faced by the research on CPs-modified TiO2.
Over the past 20 years, urbanization of Shandong Province has strongly supported the rapid growth and sustained transformation of economy, however, this region has suffered from serious atmospheric pollution due to intense human activity. Identifying and qualifying the spatio-temporal variation of air pollution and its driving forces of Shandong Province would help in the formulation of effective mitigation policies. A deep understanding of the coupling relationship between air quality and socioeconomic drivers was essential for evaluating the quality of urbanization and long term sustainability. Hence, this study investigates the spatio-temporal variation and its driving factors of air quality in Jinan and Qingdao during 2014~2022. The air quality index (AQI), PM2.5, PM10, CO, SO2 and NO2 showed a seasonal pattern with higher values in winter and lower values in summer, however, O3 showed lower values in winter and higher value in summer. AQI quality for Qingdao surpassed Jinan, but AQI improvement rates of Jinan surpassed Qingdao, which means higher AQI quality in Qingdao and faster AQI improvement in Jinan. Spearman correlation analysis (SCA), gray relational analysis (GRA) and entropy weight method (EMW) were used to evaluated the interrelations between AQI and pollutant-emission / economic-development / urban-construction index. The primary driving factors were industrial smoke (dust) emissions (SCA, r = 0.94), value-added of secondary industry (GRA, r = 0.68), value-added of secondary industry (EWM, w = 0.125) and per capita public green space area (EWM, w = 0.104) for Jinan. But the primary driving factors were value-added of secondary industry (SCA, r = -0.92), value-added of primary industry (GRA, r = 0.77), value-added of primary industry (EWM, w = 0.147) and green coverage rate of urban built-up areas (EWM, w = 0.129) for Qingdao. These results could provide valueable, meaningful and significant supporting and framework for future air quality management and improvement.
The influence of soil salinization on nitrogen (N) transformation is largely unknown, which impedes the reasonable management of N in saline fields. A comprehensive meta-analysis was thus conducted to evaluate the effects of salinity and relative soil physicochemical properties on net N mineralization and nitrification in upland soils. Results showed that effects of salinity on the net-N mineralization rate (Min) and nitrification rate (Nit) changed with the salinity level and incubation time. Generally, the inhibitory effect of salt on Min and Nit decreased gradually with incubation time. At 14–16 days of soil incubation, significant stimulatory effects on Min were observed in middle-level (ECe: 12–16 dS m-1) and high-level (ECe >16 dS m-1) saline soils, and on Nit in low-level (ECe: 4–12 dS m-1) saline soils. Regression analysis revealed that the effects of soil organic carbon (SOC), total N (TN), C/N, pH, and clay content on Min and Nit were closely related to salinity levels. Nit at 5–7 days of soil incubation first enhanced and then decreased with C/N increase, and the threshold value was 34.7. The effect of pH on Nit changed with salinity levels, and shifted from stimulation to inhibition with increasing pH. Min at 5–7 days of soil incubation in middle-level group first increased with increasing pH, and decreased when pH was higher than 8.1. Salinization deeply affected soil properties, which further influenced N turnover via alteration of the availability of substrates and microbial biomass and activities. Our findings suggest that the influence of salinity on soil N turnover closely related with salinity level, and salinity level should be considered fully when optimizing N management in saline upland fields.
To clarify the effect of the fluorine atom and piperazine ring on norfloxacin (NOR), NOR degradation products (NOR-DPs, P1-P8) were generated via UV combined with hydrogen peroxide (UV/H2O2) technology. NOR degradation did not significantly affect cytotoxicity of NOR against BV2, A549, HepG2, and Vero E6 cells. Compared with that of NOR, mutagenicity and median lethal concentration of P1-P8 in fathead minnow were increased, and bioaccumulation factor and oral median lethal dose of P1-P8 in rats were decreased. Molecular docking was used to evaluate the inhibitory effect of DNA gyrase A (gyrA) on NOR-DPs to determine the molecular-level mechanism and establish the structure-activity relationship. Results indicated that the most common amino acid residues were Ile13, Ser27, Val28, Gly31, Asp36, Arg46, Arg47, Asp157, and Gly340; hydrogen bonds and hydrophobic interactions played key roles in the inhibitory effect. Binding area (BA) decreased from 350.80 Å2 (NOR) to 346.21 Å2 (P1), and the absolute value of binding energy (|BE|) changed from 2.53 kcal/mol (NOR) to 2.54 kcal/mol (P1), indicating that the fluorine atom mainly affects BA. The piperazine ring clearly influenced BA and |BE|. "Yang ChuanXi Rules" were used to explain effects of molecular weight (MW), BA, |BE|, and sum of η1 + η2 (η1: normalization of BA, η2: normalization of |BE|) and predict biotoxicity of NOR-DPs based on half-maximum inhibitory concentration (IC50), half-minimal inhibitory concentration (MIC50), and half-minimal bactericidal concentration (MBC50) values.
INTRODUCTION:To investigate the inhibition properties and structure-activity relationship between monoamine oxidase (MAO) and selected monoamine oxidase inhibitors (MAOIs, including selegiline, rasagiline and clorgiline).METHODS:The inhibition effect and molecular mechanism between MAO and MAOIs were identified via the half maximal inhibitory concentration (IC50) and molecular docking technology.RESULTS:It was indicated that selegiline and rasagiline were MAO B inhibitors, but clorgiline was MAO-A inhibitor based on the selectivity index (SI) of MAOIs (0.000264, 0.0197 and 14607.143 for selegiline, rasagiline and clorgiline, respectively). The high-frequency amino acid residues of the MAOIs and MAO were Ser24, Arg51, Tyr69 and Tyr407 for MAO-A and Arg42 and Tyr435 for MAO B. The MAOIs and MAO A/B pharmacophores included the aromatic core, hydrogen bond acceptor, hydrogen bond donor-acceptor and hydrophobic core.CONCLUSION:This study shows the inhibition effect and molecular mechanism between MAO and MAOIs and provides valuable findings on the design and treatment of Alzheimer's and Parkinson's diseases.
As the negative repercussions of environmental devastation, such as air quality decline and air pollution, become more apparent, environmental consciousness is growing across the world, forcing nations to take steps to mitigate the damage. China pledged to achieve air quality improvement goal to combat global environment issue, yet the spatial-temporal differentiation and its driving factors of environment-meteorology-economic index for air quality are not fully analysed. To promote regional collaborative control of air pollution and achieve sustainable urban development, spatial and temporal different and its driving factors of air quality in Shandong Province during 2013-2020. Results revealed that concentrations of sulfur dioxide (SO2), nitrogen dioxide (NO2), particulate matter 2.5 (PM2.5), particulate matter 10 (PM10), and carbon monoxide (CO-95per) exhibited decreasing trend (SO2 concentrations decreasing 84 % and CO-95per concentrations decreasing 90 %). Air quality was improved from inland areas to coastal areas. Pollutant indicators of SO2, NO2, PM10, PM2.5, and CO-95per demonstrated significant positive correlation (P < 0.05). Air temperature and precipitation are significantly negatively correlated with concentrations of SO2, NO2, PM10, PM2.5, and CO-95per but significantly positively correlated with ozone (O-3-8 h). SO2, NO2, PM2.5, PM10, CO-95per, and proportion of days with heavy pollution are strongly positively correlated with proportion of secondary industry but strongly negatively correlated with proportion of tertiary industry and volume of household waste. Except for O-3-8 h, pollutant index of Provincial Capital Economic Circle (PCEC) and Southern Shandong Economic Circle (SSEC) has significant negative correlation (P < 0.05) with regional gross domestic product and investment in environmental protection; however, investment in environmental protection of Eastern Shandong Economic Circle (ESEC) has no significant correlation with air pollution index. There was significant negative correlation between vegetable sowing area and SSEC pollutant index. The relationship between pollution emission and investment in environmental protection has shifted from high pollution-low investment to low pollution-low investment in PCEC, ESEC and SSEC, and the inflection point was in 2020 for PCEC, 2019 for ESEC, and 2020 for SSEC. Those results provide empirical evidence and theoretical support for the improvement of regional air quality, aiming to achieve high-quality development. According to these findings, it has been found that meteorological elements, pollutant emission, socio-economic factors and agricultural data affect air quality. Those results could provide meaningful and significant supporting for synergistic regulation of diverse pollutants.
Ambient air quality is a complex dynamical system that is affected by a number of subsystems, such as particulate matter emission, meteorological factors, and socioeconomic factors.
As land and sea integration continues to accelerate, it will inevitably have an effect on the marine ecological environment. However, the study on spatial and temporal distribution characteristics of Chinese marine environmental quality and its driving factors was lacking. This paper employs Regression Analysis, Spearman Correlation Analysis, Canonical Correlation Analysis, Boston Consulting Group Matrix and Environmental Kuznets Curve to examine the spatial–temporal distribution characteristics and correlation factors of Chinese jurisdictional sea areas environmental quality. The environmental quality of the waters under China's jurisdiction improved on average from 2003 to 2021, the area of sea with excellent water quality increased by 7.21 × 104 km2. The spatial distribution showed “South superior, North inferior” trend. The accumulated red tide area is 2.01 × 105 km2, and the green tide has the average maximum area of distribution is 3.13 × 104 km2. The marine dumping area's volume of waste has a three stages of slow rise (2003–2007), steady (2008–2014) and rapid rise (2015–2021). The average percentage of seawater bathing areas with good water quality is 82.10 %. Urban Environmental Infrastructure Investment and Urban Drainage Construction Investments are positively correlated with excellent water quality and negatively correlated with light-sewage water quality. The typical correlation for the group “Environmental Quality/Environmental Governance” is 0.911, and the strongest correlation is between excellent water quality and urban drainage construction investment. The typical correlation coefficient for the “Environmental Quality/Socioeconomic” group is 0.960, and the strongest correlation is between excellent water quality and per capita GDP. The Gross Ocean Product, Per Capita GDP, Proportion of Non-agricultural Industries, Year-end Resident Population, and excellent water quality are positively correlated whereas light-sewage water quality is negatively correlated. Liaoning, Tianjin, Shandong and Guangdong shift from high-pollution-low-investment to low-pollution-low-investment model. Shanghai, Zhejiang, Fujian and Hainan maintain high-pollution-low-investment model, Hainan maintains high-pollution-high-investment model. Jiangsu maintains low-pollution-low-investment model. Hebei and Guangxi shift from low-pollution-low-investment to low-pollution-high-investment model. Liaoning, Hebei, Tianjin, Shandong, Guangxi and Shanghai show inverted “N” shape, Jiangsu shows positive “N” shape, Zhejiang and Fujian show monotonic decline shape, Guangdong and Hainan show positive “U” shape. The results could provide valuable suggestions for coastal provinces to accomplish economic development and environmental improvement, which to prevent the old way of “pollution first and treatment later”.
According to the river environmental quality, pollutant emission, and investment in environmental pollution control from 2002-2020, the change law and driving factors of river environmental quality in China were evaluated using canonical correlation analysis and the Spearman correlation coefficient to analyze the influence between environmental and pollutant emission/investment in environmental pollution control. The results indicated that the river environmental quality was improved significantly based on the proportion of Class Ⅰ-Ⅲ increasing from 29.1% to 87.4% and the proportion of inferior Class Ⅴ decreasing from 40.9% to 0.2% from 2002-2020. The emission of wastewater and domestic wastewater increased from 4.395×1010 tons and 2.323×1010 tons to 8.491×1010 tons and 6.598×1010 tons, respectively. However, emissions of industrial wastewater decreased from 2.072×1010 tons to 1.680×1010 tons. Investment in environmental pollution control increased from 110.66 billion yuan to 1063.89 billion yuan. The proportion of Class Ⅰ-Ⅲ in seven major river basins, river basins in Zhejiang and Fujian, southwest river basins, and northwest river basins showed a negative correlation for industrial pollutant emissions and a positive correlation for investment in environmental pollution control. The primary measure for the seven major river basins, river basins in Zhejiang and Fujian, and northwest river basins cut down the industrial pollutant emissions, in the order of COD>NH4+-N>total wastewater. The primary measure for southwest river basins increased the investment in environmental pollution control, in the order of industrial investment in environmental pollution control>urban environmental infrastructure construction investment and environmental protection investment in construction projects. These results can provide theoretical and policy suggestions for the improvement of river environmental quality during the "14th Five-Year Plan" period.
Agricultural waste reduction was significant for the novel pathways of "waste control by control" and "synergize the reduction of pollution and carbon emissions". This study explores the utilization of crop waste through the preparation of sawdust biochar (SBC) via high-temperature pyrolysis for the adsorption removal of the neonicotinoid insecticide nitenpyram (NTP). A comprehensive characterization of SBC's physicochemical properties was conducted using various techniques such as scanning electron microscopy, energy dispersive spectroscopy, X-ray diffraction, Brunauer-Emmett-Teller analysis, Fourier-transform infrared spectroscopy, thermogravimetric analysis, Raman spectroscopy, zeta potential analysis, and X-ray photoelectron spectroscopy. The sample subjected to pyrolysis at 900 degrees C with a particle size range of 75-150 mu m (BC900M) exhibited an organized porous structure with a high specific surface area of 682.7 m(2)/g and an abundance of surface active groups and oxygen-containing functional groups. At optimal conditions (NTP concentration = 150 mg/L and BC900M dosage = 0.3 g/L), BC900M demonstrated a notable adsorption capacity of 115 mg/g. The NTP adsorption behavior aligned with the Langmuir and Freundlich isotherm models (R-2 > 0.96), the pseudo-second-order kinetics model, Delta H = 40.04 kJmol(-1) and Delta S = 0.219 kJK-1mol(-1), indicating a spontaneous and endothermic physical process involving both monolayer and multimolecular adsorption. The mechanisms encompassed micropore trapping, hydrogen-bond interactions, electrostatic attraction, pi-pi interactions, halogen bonding, and coordination interaction. Furthermore, a positive correlation between the adsorption performance of biochar and the pyrolysis temperature was observed, which was attributed to the decreased degree of graphitization of SBC based on the I-D/I-G ratios of BC300, BC500, BC700, and BC900 of 0.96, 1.01, 1.06, and 1.11, respectively. The adsorption free energy between NTP and SBC was -8.05, -8.31, -8.61, and -9.23 eV for BC300, BC500, BC700, and BC900, respectively. Those findings provide important insights for the efficient utilization of biomass resources for organic pollutant removal via high-performing adsorbents.
The “Multi-Threat Medical Countermeasure (MTMC)” strategy was proposed to develop a single drug with therapeutic efficacy against multiple pathologies or broad-spectrum protection against various toxins with common biochemical signals, molecular mediators, or cellular processes. This study demonstrated that cytotoxicity, expression of transient receptor potential cation channel subfamily A member 1 (TRPA1) mRNA, and intracellular calcium influx were increased in A549 cells exposed to amide herbicides (AHs), in which the order of cytotoxicity was metolachlor > acetochlor > propisochlor > alachlor > butachlor > propanil > pretilachlor, based on IC50 values of 430, 524, 564, 565, 619, 831, and 2333 μM, respectively. Inhibition/knockout of TRPA1 efficiently protected against cytotoxicity, decreased TRPA1 mRNA expression, and reduced calcium influx. The results suggested that the TRPA1 channel could be a key common target for AHs poisoning. The order of TRPA1 affinity for AHs was propanil > pretilachlor > metolachlor > (propiso/ala/aceto/butachlor), based on KD values of 16.2, 309, and 364 μM, respectively. The common molecular mechanisms of TRPA1-AHs interactions were clarified, including toxicity-effector groups (benzene ring, nitrogen/oxygen-containing functional groups, halogen) and residues involved in interactions (Lys787, Leu982). This work provides valuable information for the development of TRPA1 as a promising therapeutic target for broad-spectrum antitoxins.
Hypoxic environments at high altitudes influence the long-term non-altitude health of residents, by inducing changes in metabolism and the mitochondria, severe lung injury, and endangering life. This study was aimed to determine whether meldonium can ameliorate hypoxia-induced lung injury and investigate its possible molecular mechanisms. We used Swiss mice and exposed type Ⅱ alveolar epithelial cell to hypobaric hypoxic conditions to induce lung injury and found that meldonium has significant preventive effect, which was associated with the regulation of glycolysis. We found using human proteome microarrays assay, molecular docking, immunofluorescence and pull-down assay that the target protein of meldonium is a platelet-type phosphofructokinase (PFKP), which is a rate-limiting enzyme of glycolysis. Also, meldonium promotes the transfer of nuclear factor erythroid 2-related factor 2 (Nrf2) from the cytoplasm to the nucleus, which mitigates oxidative stress and mitochondrial damage under hypoxic condition. Mechanistically, meldonium ameliorates lung injury by targeting PFKP to regulate glycolysis, which promotes Nrf2 translocation from the cytoplasm to the nucleus to alleviate oxidative stress and mitochondrial damage under hypoxic condition. Our study provides a novel potential prevention and treatment strategy against hypoxia-induced lung injury.