New Insights into Photo-Fenton Chemistry: The Overlooked Role of Excited IronIII Species.

Direct photoreduction of FeIII is a widely recognized route for accelerating FeIII/FeII cycle in photo-Fenton chemistry. However, most of the wavelengths covering the full spectral range are insufficient to supply enough photon energy for the direct reduction process. Herein, the hitherto neglected mechanism of FeIII reduction that the FeIII indirect reduction pathway initiated by light energy-dependent reactivity variation and reactive excited state (ES) was explored. Evolution of excited-state FeIII species (*FeIII) resulting from metal-centered charge excitation (MCCE) of FeIII is experimentally verified using pulsed laser femtosecond transient absorption spectroscopy with UV-vis detection and theoretically verified by quantum chemical calculation. Intense photoinduced intravalence charge transition was observed at λ = 380 and 466 nm, revealing quartet 4MCCE and doublet 2MCCE and their exponential processes. Light energy-dependent variation of *FeIII reactivity was kinetically certified by fitting the apparent rate constant of the radical-chain sequence of photo-Fenton reactions. Covalency is found to compensate for the intravalence charge separation following photoexcitation of the metal center in the MCCE state of Fenton photosensitizer. The *FeIII is established as a model, demonstrating the intravalence hole delocalization in the ES can be leveraged for photo-Fenton reaction or other photocatalytic schemes based on electron transfer chemistry.

Spatial distribution, source identification, and potential risks of 14 bisphenol analogues in soil under different land uses in the megacity of Chengdu, China.

This study explored the levels, distribution, potential sources, ecological risks and estrogenic activities of 14 bisphenol analogues (BPs) in soil under eight land-use types in the megacity of Chengdu, China. Eleven BPs were detected in the soil samples and the total concentrations ranged from 32.3 to 570 ng/g d.w. Levels of bisphenol BP (BPBP) in the soil (up to 208 ng/g d.w.) only second to the most dominant compound bisphenol A (BPA) were found. Relatively higher Σ14BP accumulation in the soil was observed in the commercial and residential areas (median: 136 ng/g d.w. and 131 ng/g d.w.) compared with agricultural area (median: 67.5 ng/g d.w.). Source identification indicated the role of atmospheric particulate deposition and consecutive anthropogenic activities in BP emission. The ecotoxicity assessment implied that BPA, bisphenol S (BPS), bisphenol F (BPF) and bisphenol PH (BPPH) might pose low to medium risk to the ecosystem due to their extensive use and biological effects. The calculated 17ß-estradiol equivalents of BPs were in the range of 0.501-7.74 pg E2/g d.w, and the estrogenic activities were inferior to those contributed by natural estrogens in the soil.

Occurrence and exposure evaluation of bisphenol A and its analogues in indoor and outdoor dust from China.

Bisphenol A (BPA) and its analogues have been proved to be harmful to human reproduction, endocrine and nervous system. But information on the occurrence and human exposure to bisphenol compounds (BPs) in dust (especially outdoor dust) is limited. In this study, 14 BPs were determined in 174 indoor dust samples and 202 outdoor dust samples from Chinese mainland, Hong Kong, Macau and Taiwan. BPA, BPS, BPAF, BPF, BPAP and BPE were widely detected with detection frequencies of 98.94 %, 98.67 %, 97.87 %, 95.21 %, 87.23 % and 71.54 %, respectively. The median total concentrations of the most detected six BPs in the dust were in the order of south urban indoors (556 ng/g) > south rural outdoors (438 ng/g) > south urban outdoors (432 ng/g) > south rural outdoors (418 ng/g) > north rural indoors (412 ng/g) > north urban outdoors (341 ng/g) > north urban indoors (311 ng/g) > north rural outdoors (246 ng/g). The amounts of garbage incineration, plastic output and recycled paper may have influence on the BPs levels. Some BPs (BPAF, BPAP, BPF and BPS) in the indoor and outdoor samples were significantly positively correlated. In addition, the BPs in the indoor dust from different indoor micro environments in Chengdu were investigated. BPA (median concentration: 571.2 ng/g) and BPF (median concentration: 114.3 ng/g) were the two primary BPs, accounting for 78.1 % of the median total concentrations of the investigated BPs. High concentration of BPA appeared in printing workshops and offices, while high concentration of BPAP, BPC, BPE and BPF appeared in electronic repair shops. Occupational exposure to BPs deserves attention in the future. ΣBPs exposure risk for children and adults in the urban areas of southern China was the highest. To our knowledge, this is the first report in China to study BPs in outdoor dust sample.

Photodegradation of anthelmintic drugs under natural sunlight and simulated irradiation: kinetics, mechanisms, transformation products, and toxicity.

Albendazole (ALB) and bithionol (BIT) are two anthelmintic drugs (ADs) with high consumption from benzimidazole group and diphenylsulfide group, respectively. However, information on the transformation of the two anthelmintics under environmental condition is scare. Therefore, in the present study, we investigated the natural attenuation of the two ADs in the aquatic environment, including biodegradation, hydrolysis, and direct and indirect photodegradation. The direct photodegradation occupied a vast portion among other degradation pathways of the two ADs in natural water, with near-surface summer half-lives of 0.272-0.387 h and 0.110-0.520 h for ALB and BIT, respectively. Suspended particles in water were found to facilitate the photodegradation of the two ADs. Study on the indirect photodegradation demonstrated the positive roles of singlet oxygen (1O2) and excited triplet dissolved organic matter (3DOM*) in the photolysis of the two ADs, whereas the hydroxyl radical (•OH) affected little on the overall photodegradation procedures of ALB due to the scavenging effect of HCO3-. Dual effects of DO, DOM, HCO3-, NO3-, and NO2- on the photodegradation of ALB and BIT were perceived. Transformation intermediates (TIs) of the two ADs during photodegradation were analyzed by UHPLC-QTOF-MS. Six TIs of ALB were identified, including a broad-spectrum fungicide carbendazim and another common AD ricobendazole. Two TIs of BIT yielded from dechlorination were also detected. Probable transformation mechanism and predicted aquatic ecotoxicity based on the identified TIs were unveiled.

Organophosphorus flame retardants and their metabolites in paired human blood and urine.

Organophosphorus flame retardants (OPFRs) have been shown to be carcinogenic, neurotoxic, and endocrine disruptive, so it is important to understand the levels of OPFRs in human body as well as the modes of external exposure. In this study, we investigated the levels of 13 OPFRs and 7 phosphodiester metabolites in paired human blood and urine, as well as the influencing factors (region, age and gender), and studied the relationship between OPFRs and oxidative stress by urinary metabolites. We found that the concentrations of triphenyl phosphate (TPhP) and tris-(2-ethylhexyl) phosphate (TEHP) in the blood of urban populations were higher than those of rural populations, and that younger populations suffered higher TPhP and 2-ethylhexyl diphenyl phosphate (EHDPP) exposures than older populations. In addition, we found that tris-(2-chloroethyl) phosphate (TCEP), tributyl phosphate (TnBP), TPhP and EHDPP exposure induced oxidative stress. The results of the internal load principal component analysis indicated that dust ingestion, skin exposure, respiration and dietary intake may be the most important sources of TCEP, tris(2-butoxyethyl) phosphate (TBOEP), tri(2-chloroisopropyl) phosphate (TCIPP) and TEHP, respectively, and dust ingestion and skin exposure may be the main sources of TPhP for humans.

Occurrence, distribution and environmental risk of 19 anthelmintic drugs in river water and sediment from the Jinjiang River, China.

This study explored the occurrence and distribution of 19 anthelmintic drugs (ADs) including the benzimidazole group, salicylanilide group, imidazothiazole group, tetrahydropyrimidine group, diphenylsulfide group, macrocyclic lactone group and hexahydropyrazine group in river water and sediment of the Jinjiang River in Sichuan, China, during summer and winter seasons. All targets were detected in river water (up to 74.64 ng L-1) and sediment (up to 1701 ng g-1) samples. The predominant ADs were benzimidazoles regardless of seasons and matrices, accounting for 43-82% of the total anthelmintic abundance. Obvious seasonal variation of AD concentrations in the two matrices was observed, which could be attributed to the seasonality of human and veterinary uses of ADs. Evident spatial variation (urban and rural areas) of ADs in winter was indicative of the influence of anthropogenic activities on the environmental concentration of ADs. Though benzimidazoles accumulated in the water and sediment with the highest concentration among all the ADs, macrocyclic lactones were of the highest risk to non-target organisms through ecological risk assessment, with an RQEcotox value up to 2713. This work contributes to comprehensively assessing the contamination level, ecological level and transmission characteristics of ADs in the environment.

Occurrence, ecology risk assessment and exposure evaluation of 19 anthelmintics in dust and soil from China.

In order to fill the blank of domestic research on anthelmintics in dust and soil, 159 paired dust (including indoor and outdoor dust) and soil samples were collected nationwide. All 19 kinds of the anthelmintics were detected in the samples. The total concentration of the target substances in the outdoor dust, indoor dust and soil samples ranged from 1.83 to 1.30 × 103 ng/g, from 2.99 to 6.00 × 103 ng/g and from 0.23 to 8.03 × 102 ng/g, respectively. The total concentration of the 19 anthelmintics in northern China were significantly higher than those in southern China in the outdoor dust and soil samples. No significant correlation was found in the total concentration of anthelmintics between the indoor and outdoor dust because of strong human activities interference, however, a significant correlation existed between the outdoor dust and soil samples and between the indoor dust and soil samples. High ecological risk was found at 35% and 28% of all the sampling sites to non-target organisms in the soil respectively for IVE and ABA, and merits further study. The daily anthelmintics intakes were evaluated via ingestion and dermal contact of soil and dust samples for both children and adults. Ingestion was the predominant way for anthelmintics exposure, and the anthelmintics in soil and dust did not pose a health threat to human health at present.

Hepatic steatosis with mass effect: A case report.

BACKGROUND: Hepatic steatosis is a common radiologic finding. Some imaging inklings are the absence of a mass effect, and there is currently no report of hepatic steatosis with mass effect. CASE SUMMARY: A 23-year-old female was admitted due to a liver mass for half a month. No obvious abnormalities were found in physical and laboratory examinations. Ultrasound, computed tomography, and magnetic resonance imaging showed a huge mass between the liver and stomach with a significant mass effect, and the caudate lobe and left lobe of the liver were involved. The signal on T2- and T1- weighted fat-saturated images of the mass was significantly reduced, and the enhanced scan showed inhomogeneous enhancement. Surgical and pathological findings indicated the diagnosis of hepatic steatosis. The operation and re-review of the patient's images showed that the lesion was supplied by the branch of the hepatic artery. The signal on T1-weighted out-of-phase images of the lesion was lower than on in-phase images, and there was no black rim cancellation artifact around the hepatic steatosis area on T1-weighted out-of-phase images. The dynamic enhancement pattern of the lesion was similar to that of the adjacent normal liver parenchyma. The above characteristics suggested that the lesion was hepatic steatosis. However, in this case, the lesion showed exogenous growth and was mass-like, with an obvious mass effect, which has not been reported previously. CONCLUSION: Hepatic steatosis could grow exogenously and has an obvious mass effect. It needs to be distinguished from fat-rich tumors. The T1-weighted in- and out-of-phase images and dynamic enhanced scanning are valuable for differential diagnosis of this lesion.

Design, Synthesis and Antibacterial Activity of Novel Pyrimidine-Containing 4H-Chromen-4-One Derivatives*.

A series of pyrimidine-containing 4H-chromen-4-one derivatives were designed and synthesized by combining bioactive substructures. Preliminary biological activity results showed that most of the compounds displayed significant inhibitory activities in vitro against Xanthomonas axonopodis pv. Citri (X. axonopodis), Xanthomonas oryzae pv. oryzae (X. oryzae) and Ralstonia solanacearum (R. solanacearum). In particular, compound 2-[(3-{[5,7-dimethoxy-4-oxo-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-3-yl]oxy}propyl)sulfanyl]-4-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile (4c) demonstrated a good inhibitory effect against X. axonopodis and X. oryzae, with the half-maximal effective concentration (EC50 ) values of 15.5 and 14.9 µg/mL, respectively, and compound 2-[(3-{[5,7-Dimethoxy-4-oxo-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-3-yl]oxy}propyl)sulfanyl]-4-(3-fluorophenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile (4h) showed the best antibacterial activity against R. solanacearum with an EC50 value of 14.7 µg/mL. These results were better than commercial reagents bismerthiazol (BT, 51.7, 70.1 and 52.7 µg/mL, respectively) and thiodiazole copper (TC, 77.9, 95.8 and 72.1 µg/mL, respectively). In vivo antibacterial activity results indicated that compound 4c displayed better curative (42.4 %) and protective (49.2 %) activities for rice bacterial leaf blight than BT (35.2, 39.1 %) and TC (30.8, 27.3 %). The mechanism of compound 4c against X. oryzae was analyzed through scanning electron microscopy (SEM). These results indicated that pyrimidine-containing 4H-chromen-4-one derivatives have important value in the research of new agrochemicals.

Occurrence and risk assessment of anthelmintics in Tuojiang River in Sichuan, China.

Recently, emerging pollutants, such as anthelmintics have attracted an increasing attention worldwide due to their extensive use and notable stability. However, the information on anthelmintics in the environment of southwest China is scarce. Thus, the occurrence, ecological risk and exposure evaluation of nineteen anthelmintics in Tuojiang River, which is one of the largest tributaries of Yangtze River, and drinking water source of Sichuan, southwest China, were investigated. The result showed that the detection frequency of anthelmintics was relatively high in Tuojiang River, ranging from 65% to 100% in river water. Among the seven kinds of anthelmintics, benzimidazoles are the primary anthelmintics, with concentrations up to 61.12 ng/L and 596.06 ng/g in water and sediment of the Tuojiang river, respectively. The total concentration of 19 anthelmintics in sediment samples from non-agricultural area was higher than that in agricultural area(p = 0.000 < 0.05). This could be attributed to anthropogenic activities, which lead to greater discharge and accumulation of anthelmintics in residential area along the river. It's worth to mention that the highest total concentrations of anthelmintics (109.28 ng/L) was found at the junction of rivers in R31 site. The results could be ascribed to the complexity of junction of Tuojiang River and Yangtze River, which could influence the distribution of pollutant. Besides, the ecological risk assessment showed that the macrocyclic lactones rather than benzimidazoles had relatively high toxicity to non-target organisms in aquatic environment (p = 0.000 < 0.05), with the highest RQEcotox value of 101 for Daphnia magna, while benzimidazoles had relatively high concentrations. The exposure risk could be ignored for both children and adults because the daily intake of anthelmintics via water ingestion were below 10 ng/kg/d. In addition, strong correlations were found between sucralose and most of the selected anthelmintics in Tuojiang River, indicating that sucralose might be a good tracer to evaluated the source of anthelmintics in surface water. This study provides the levels, risks and even some tracer information of pollutants for better understanding of anthelmintics in southwest China.

Insights into the Electron-Transfer Mechanism of Permanganate Activation by Graphite for Enhanced Oxidation of Sulfamethoxazole.

Many reagents as electron sacrificers have been recently investigated to induce decomposition of permanganate (KMnO4) to produce highly reactive intermediate Mn species toward oxidation of organic contaminants; however, this strategy meanwhile causes low KMnO4 utilization efficiency. This study surprisingly found that graphite can mediate direct electron transfer from organics (e.g., sulfamethoxazole (SMX)) to KMnO4, resulting in high KMnO4 utilization efficiency, rather than reductive sites of graphite-induced conversion of KMnO4 to highly reactive intermediate Mn species. The galvanic oxidation process (GOP) and comparative experiments of different organic contaminants prove that the KMnO4/graphite system mainly extracts electrons from organic contaminants via a one-electron pathway instead of a two-electron pathway. More importantly, the KMnO4/graphite system has superior reusability, graphite can keep a long-lasting reactivity, and the KMnO4 utilization efficiency elevates significantly after each cycle of graphite. The transformation of SMX in the KMnO4/graphite system mainly includes self-coupling, hydroxylation, oxidation, and hydrolytic reaction. The work will improve insights into the electron-transfer mechanism and unveil the advantages of efficient KMnO4 utilization in the KMnO4-based technologies in environmental remediation.

Novel penta-1,4-diene-3-one derivatives containing quinazoline and oxime ether fragments: Design, synthesis and bioactivity.

A series of novel penta-1,4-diene-3-one derivatives containing quinazoline and oxime ether moieties were designed and synthesized. Their anticancer activities were evaluated by MTT assay, the results showed that most compounds exhibited extremely inhibitory effects against hepatoma SMMC-7721 cells. In particular, compounds Q2 and Q8 displayed the more potent inhibitory activity with IC50 values of 0.64 and 0.63 µM, which were better than that of gemcitabine (1.40 µM). Further mechanism studies indicated that compounds Q2, Q8, Q13 and Q19 could control the migration of SMMC-7721 cells effectively, and inhibit the proliferation of cancer cells by inhibiting the DNA replication. Western-blot results showed that compounds Q2 and Q8 induced irreversible apoptosis of SMMC-7721 cells by regulating the expression level of apoptose-related proteins. Those studies demonstrated that the penta-1,4-diene-3-one derivatives containing quinazoline and oxime ether fragments merited further research as potential anticancer agents.

Antibacterial Activities of Novel Dithiocarbamate-Containing 4H-Chromen-4-one Derivatives.

To aid the development of novel antibacterial agents that possess a innovative mechanism of action, we built a series of novel dithiocarbamate-containing 4H-chromen-4-one derivatives. We evaluated the activities of the derivatives against three plant pathogens Xanthomonas oryzae pv oryzae (X. oryzae pv o.), Ralstonia solanacearum (R. solanacearum), and Xanthomonas axonopodis pv citri (X. axonopodis pv c.). The results of the antibacterial bioassay showed that most of the target compounds displayed good inhibitory effects against X. oryzae pv o. and X. axonopodis pv c. Remarkably, compound E6 showed the best in vitro antibacterial activity against X. axonopodis pv c., with an EC50 value of 0.11 µg/mL, which was better than those of thiodiazole copper (59.97 µg/mL) and bismerthiazol (48.93 µg/mL). Compound E14 exhibited the best in vitro antibacterial activity against X. oryzae pv o., with an EC50 value of 1.58 µg/mL, which was better than those of thiodiazole copper (83.04 µg/mL) and bismerthiazol (56.05 µg/mL). Scanning electron microscopy analysis demonstrated that compounds E6 and E14 caused the rupture or deformation of the cell membranes for X. axonopodis pv c. and X. oryzae pv o., respectively. In vivo antibacterial activity test and the defensive enzymes activity test results indicated that the compound E14 could reduce X. oryzae pv o. more effectively than thiodiazole-copper or bismerthiazol.

Distribution and leaching behavior of organophosphorus and brominated flame retardants in soil in Chengdu.

A total of 29 surface farmland soil samples were collected to investigate the spatial distribution and composition characteristics of 13 organophosphorus flame retardants (OPFRs), 11 polybrominated diphenyl ethers (PBDEs), and 8 novel brominated flame retardants (NBFRs) in Chengdu, China. The OPFRs were widely detected in the farmland soil with concentrations ranging from 2.92 to 160 ng g-1 dry weight (dw). BDE-209 was found with a concentration range of n.d. to 50.4 ng g-1 dw, and was the main PBDE congener accounting for 90% of ΣPBDEs in the surface farmland soil. In the case of NBFRs, only TBB and BTBPE were detected in the farmland soil from rural areas of Chengdu. There was no obvious spatial distribution of the OPFRs among different administrative regions in Chengdu (p > 0.05), but the maximum concentration of OPFRs was found in a furniture production area. Leaching experiments showed that the concentration of most of the investigated OPFRs in two kinds of soils with different mechanical compositions and TOC contents decreased with the increase of soil depth. Addition of DOM could decrease the OPFR levels in the leachate by less than 25%, with the exception of TCPP, which decreased by up to 45%. More importantly, TCEP and TCPP exhibited stronger mobility than the other OPFRs in soil, and the migration capacity of TCPP was more sensitive to the DOM level, indicating that TCEP might more easily migrate from soil to groundwater in the nature.

Determination of 19 anthelmintics in environmental water and sediment using an optimized PLE and SPE method coupled with UHPLC-MS/MS.

A sensitive quantification method using pressurized liquid extraction (PLE) and solid phase extraction (SPE) coupled with ultra-high performance liquid chromatography-tandem mass spectrometry (UHPLC-MS/MS) was developed for determination of 19 anthelmintic drugs (ADs) belonging to seven structural groups (Benzimidazoles, Diphenylsulfides, Imidazothiazoles, Hexahydropyrazines, Macrocylic lactones, Salicylanilides, Tetrahydropyrimidines) in environmental water and sediment samples. Eleven SPE cartridges, sample pH, elution solvents were tested to determine the optimal conditions for extraction. Among these investigated SPE types, the best recoveries for 19 target ADs were obtained from Oasis HLB cartridge with 37-102%, 45-103%, 37-88%, 28-82% and 31-90% for spiked river water, tap water, rainwater, wastewater, and sediment respectively (with RSD < 15%), except for closantel. The 19 ADs were separated within 10 min by a BEH C18 column and monitored in both positive and negative ions modes with switching electrospray ionization source. The cross-talk interferences were solved by identification of secondary mass spectrum of substances through MRM-IDA-EPI scanning using Qtrap. These interference peaks could be efficiently eliminated by setting MRM segments or using Qtrap to obtain tertiary fragmented information. The developed methods were satisfactory in terms of linearity, accuracy, and precision, and used eight isotopically labeled compounds as internal standards to correct matrix effects. Method quantification limit (MQL) for 19 ADs was below 1.1 ng/L, 0.4 ng/L, 5.4 ng/L and 2.3 ng/g for river water, tap water, wastewater, and sediment, respectively. The validated method was successfully used to investigate the occurrence of anthelmintics in water and sediment samples from Chengdu, China. All ADs were detected in environment with the concentrations at ng/L level.

Design, synthesis and antibacterial activities against Xanthomonas oryzae pv. oryzae, Xanthomonas axonopodis pv. Citri and Ralstonia solanacearum of novel myricetin derivatives containing sulfonamide moiety.

BACKGROUND: Myricetin and sulfonamide derivatives exhibited a wide variety of biological activity. In order to develop highly bioactive molecules, novel myricetin derivatives containing sulfonamide moiety were synthesized and antibacterial activities were investigated. RESULTS: The results of bioassays indicated that compound A12, having an EC50 value of 4.7 µg mL-1 , exhibited the best in vitro antibacterial activities against Xanthomonas oryzae pv. oryzae (X. oryzae pv. o.); EC50 values for this compound were even better than those of thiodiazole-copper (TC, 71.4 µg mL-1 ) and bismerthiazol (BT, 54.7 µg mL-1 ). Compound A2, having an EC50 value of 1.1 µg mL-1 , exhibited the best in vitro antibacterial activities against Xanthomonas axonopodis pv. citri (X. axonopodis pv. c); values were notably better than those of TC (60.0 µg mL-1 ) and BT (48.9 µg mL-1 ). Scanning electron microscopy analysis indicated that compounds A2 and A12 caused the cell membranes of X. axonopodis pv. c and X. oryzae pv. o. to break or deform, respectively. When the concentration of compound A12 was 100 µg mL-1 , the effective curative activity against bacterial leaf blight of rice was 44.2% in vivo and the effective protection activity was 58.2% in vivo, results that were both better than values for TC (18.9 and 21.4%, respectively) and BT (12.5 and 12.5%, respectively). CONCLUSION: Novel myricetin derivatives containing a sulfonamide moiety were synthesized and bioassay results showed that compounds A2 and A12 exhibited the best antibacterial activities. © 2019 Society of Chemical Industry.

Spatial Distribution of Organophosphorus and Brominated Flame Retardants in Surface Water, Sediment, Groundwater, and Wild Fish in Chengdu, China.

The occurrence and spatial distribution of 13 organophosphorus flame retardants (OPFRs), 11 polybrominated diphenyl ethers (PBDEs), and eight novel brominated flame retardants (NBFRs) were investigated in Jinjiang river water, sediment, crucian carp, and groundwater in Chengdu, China. OPFRs were predominant and ubiquitous contaminants in the Jinjiang river water, sediment, groundwater, fish muscle, fish gills, and viscera with concentrations ranging from 19.1 to 533 ng L-1, 12.5 to 253 ng g-1, 11.7 to 149 ng L-1, 114 to 2108 ng g-1 lipid weight (lw), 220 to 638 ng g-1 lw, and 116 to 1356 ng g-1 lw, respectively. The halogenated OPFRs were the primary pollutant in the Jinjiang river water samples, whereas nonhalogenated OPFRs were the dominant OPFRs in the sediments. Brominated flame retardants were not detected in the groundwater, whereas the NBFRs detected in aquatic environment at low frequency. The ΣPBDEs ranged from n.d. to 23.4 ng L-1 and n.d. to 48.7 ng g-1 in the Jinjiang river water and sediment, respectively. BDE-209 was dominant in the sediment samples with concentrations ranging from n.d. to 47.2 ng g-1. The PBDEs levels in the muscle, gills, and viscera of the crucian carp ranged from 10.6 to 90.6 ng g-1 lw, n.d. to 75.6 ng g-1 lw, and n.d. to 219 ng g-1 lw, respectively. BDE-47, chlorinated, and alkyl OPFRs were the main contaminants in the fish samples.

Sorption and leaching behavior of bithionol and levamisole in soils.

The batch experiments were conducted to understand sorption process of bithionol (BIT) in yellow soil (YS) and red soil (RS), while column leaching experiments were performed to evaluate the leaching behavior of BIT and levamisole (LEV) in the tested soils. The adsorption and desorption data fitted well with the Freundlich isotherms (R2 ≥ 0.94). The distribution coefficient of BIT in the YS and RS were 104 and 98.3 L/kg, respectively. Hysteresis was observed for bithionol desorption in the YS and RS, with hysteresis coefficient of 0.917 and 0.928, respectively. Dissolved organic matter (DOM) addition and acid condition enhanced the adsorption of BIT in the soil. Both BIT and LEV showed poor leaching potential in the tested soils. More than 80% of BIT and LEV remained in the surface soil layer and the amount of the two target compounds in the leachates accounted for less than 1% of overall recovery. DOM showed little influence on the concentration of BIT and LEV in the leachates collected at different time. The results could fill the gap on the behavior of BIT and LEV in soil under laboratory conditions.

Synthesis and antibacterial and antiviral activities of myricetin derivatives containing a 1,2,4-triazole Schiff base.

A series of novel myricetin derivatives containing a 1,2,4-triazole Schiff base were designed and synthesized. Their structures were systematically characterized using 1H NMR, 13C NMR, and HRMS. During antibacterial bioassays, 6f, 6i, and 6q demonstrated a good inhibitory effect against Xanthomonas axonopodis pv. citri (Xac), with half-maximal effective concentration (EC50) values of 10.0, 9.4, and 8.8 µg mL-1, respectively, which were better than those of bismerthiazol (54.9 µg mL-1) and thiodiazole copper (61.1 µg mL-1). Note that 6w demonstrated a good inhibitory effect against Ralstonia solanacearum (Rs) with and EC50 value of 15.5 µg mL-1, which was better than those of bismerthiazol (55.2 µg mL-1) and thiodiazole copper (127.9 µg mL-1). Similarly, 6a, 6d, and 6e demonstrated a good inhibitory effect against Xanthomonas oryzae pv. oryzae (Xoo) with EC50 values of 47.1, 61.2, and 61.0 µg mL-1, respectively, which were better than those of bismerthiazol (148.2 µg mL-1) and thiodiazole copper (175.5 µg mL-1). Furthermore, we used scanning electron microscopy (SEM) to study the possible sterilization process of the target compound 6q against Xac. The results indicated the possibility of destroying the bacterial cell membrane structure, resulting in an incomplete bacterial structure, and thus achieving inhibition. Furthermore, antiviral bioassays revealed that most compounds exhibited excellent antiviral activity against tobacco mosaic virus (TMV) at a concentration of 500 µg mL-1. The results of the molecular docking studies for 6g with TMV-CP (PDB code: 1EI7) showed that compound 6g had partially interacted with TMV-CP. Therefore, mechanistic studies of the action of compound 6g could be further studied based on that.

Novel chalcone derivatives containing a 1,2,4-triazine moiety: design, synthesis, antibacterial and antiviral activities.

A series of novel chalcone derivatives containing the 1,2,4-triazine moiety were synthesized and their structures were confirmed by 1H NMR, 13C NMR and elemental analyses. Antiviral bioassays revealed that most of the compounds exhibited good antiviral activity against tobacco mosaic virus (TMV) at a concentration of 500 µg mL-1. The designated compound 4l was 50% effective in terms of curative and protective activities against TMV with 50% effective concentrations (EC50) of 10.9 and 79.4 µg mL-1, which were better than those of ningnanmycin (81.4 and 82.2 µg mL-1). Microscale thermophoresis (MST) also showed that the binding of compound 4l to coat protein (TMV-CP) yielded a K d value of 0.275 ± 0.160 µmol L-1, which was better than that of ningnanmycin (0.523 ± 0.250 µmol L-1). At the same time, molecular docking studies for 4l with TMV-CP (PDB code:1EI7) showed that the compound was embedded well in the pocket between the two subunits of TMV-CP. Meanwhile, compound 4a demonstrated excellent antibacterial activities against Ralstonia solanacearum (R. solanacearum), with an EC50 value of 0.1 µg mL-1, which was better than that of thiodiazole-copper (36.1 µg mL-1) and bismerthiazol (49.5 µg mL-1). The compounds act by causing folding and deformation of the bacterial cell membrane as observed using scanning electron microscopy (SEM). The chalcone derivatives thus synthesized could become potential alternative templates for novel antiviral and antibacterial agents.