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Identification of important precursors and theoretical toxicity evaluation of byproducts driving cytotoxicity

Qian-Yuan Wu, Yi-Jun Yan, Yao Lu, Ye Du, Zi-Fan Liang, Hong-Ying Hu

《环境科学与工程前沿（英文）》 2020年 第14卷 第2期 doi: 10.1007/s11783-019-1204-6

摘要： • NOM formed more C-DBPs while amino acids formed more N-DBPs during chlorination • Aspartic acid and asparagine showed the highest toxicity index during chlorination • Dichloroacetonitrile might be a driving DBP for cytotoxicity and genotoxicity • Dichloroacetonitrile dominated the toxicity under different chlorination conditions Chlorination, the most widely used disinfection process for water treatment, is unfortunately always accompanied with the formation of hazardous disinfection byproducts (DBPs). Various organic matter species, like natural organic matter (NOM) and amino acids, can serve as precursors of DBPs during chlorination but it is not clear what types of organic matter have higher potential risks. Although regulation of DBPs such as trihalomethanes has received much attention, further investigation of the DBPs driving toxicity is required. This study aimed to identify the important precursors of chlorination by measuring DBP formation from NOM and amino acids, and to determine the main DBPs driving toxicity using a theoretical toxicity evaluation of contributions to the cytotoxicity index (CTI) and genotoxicity index (GTI). The results showed that NOM mainly formed carbonaceous DBPs (C-DBPs), such as trichloromethane, while amino acids mainly formed nitrogenous DBPs (N-DBPs), such as dichloroacetonitrile (DCAN). Among the DBPs, DCAN had the largest contribution to the toxicity index and might be the main driver of toxicity. Among the precursors, aspartic acid and asparagine gave the highest DCAN concentration (200 g/L) and the highest CTI and GTI. Therefore, aspartic acid and asparagine are important precursors for toxicity and their concentrations should be reduced as much as possible before chlorination to minimize the formation of DBPs. During chlorination of NOM, tryptophan, and asparagine solutions with different chlorine doses and reaction times, changes in the CTI and GTI were consistent with changes in the DCAN concentration.

关键词： Chlorination     Dichloroacetonitrile     Aspartic acid     Asparagine     Toxicity index    

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Assessing combined toxic effects of tetracycline and P25 titanium dioxide nanoparticles using

Barsha Roy, Khushboo Kadam, Suresh Palamadai Krishnan, Chandrasekaran Natarajan, Amitava Mukherjee

《环境科学与工程前沿（英文）》 2021年 第15卷 第1期 doi: 10.1007/s11783-020-1298-x

摘要： Abstract • UVA pre-irradiation to TiO2 NPs enhanced its toxicity toward plant A. cepa. • UVA TiO2 NPs increased intracellular ROS, resulting in more cell damage. • Cell death enhanced cell permeability and increased uptake of NPs. • Being highly toxic (EC50 = 0.097 µmol/L), TC did not increase ROS generation. • Even at a low dose, TC enhanced the toxic potential of TiO2 NPs significantly. Usage of titanium dioxide nanoparticles (TiO2 NPs) and tetracycline (TC) has increased significantly in the present era. This leads to their release and accumulation in the environment. Both the compounds, individually, can have adverse toxic effects on the plants. Their binary mixtures can increase this degree of damage. The present study aimed to evaluate the toxicity of both the contaminants in individual and binary mixtures in Allium cepa. Further, the toxicity of TiO2 NPs upon UVA pre-irradiation was also measured. Results showed that UVA pre-irradiated NPs (UVA-TiO2 NPs) had a significant decrease in cell viability than their non-irradiated counterparts (NI-TiO2), denoting an increase in photocatalytic activity upon UVA pre-irradiation. Very low concentrations of TC (EC10 = 0.016 µmol/L) mixed with TiO2 NPs significantly increased the toxicity for both UVA-TiO2 and NI-TiO2 NPs. Intracellular ROS generation was significantly high for UVA-TiO2 NPs. However, TC did not have any effects on ROS production. Both the compounds exhibited genotoxic potential in A. cepa. Different chromosomal abnormalities like anaphase bridges, telophase bridges, laggard chromosomes, binucleate cells, etc. were observed. The binary mixture of UVA-TiO2 NPs and TC showed the highest chromosomal aberrations (64.0%±1.26%) than the mixture with NI-TiO2 or the individual contaminants. This decreased significantly after recovery (46.8%±1.92%), denoting the self-repair processes. This study proved that UVA-TiO2 NPs were more toxic and could be enhanced further when mixed with a sub-lethal concentration of TC. This work will help to assess the risk of both compounds in the environment.

关键词： Binary toxicity     Cell viability     Mitotic index     Chromosomal aberration     Reactive oxygen species     Nanoparticles internalization    

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Reproductive toxicity study with a novel deoxyguanosine analogue (Metacavir) in pregnant SD rats

null

《医学前沿（英文）》 2015年 第9卷 第1期   页码 82-89 doi: 10.1007/s11684-015-0376-0

摘要：

Our preliminary studies demonstrated that Metacavir has potential to become a new anti-HBV agent. The main targets of the toxic effects of Metacavir, in rhesus monkeys, were gastrointestinal tracts, liver, blood, and kidneys, which were not related to mitochondrial effects. In this study, the maternal toxicity, embryo-fetal developmental toxicity and teratogenicity were studied in pregnant Sprague-Dawley rats after intragastric administration of Metacavir (200, 100, 50, 0 mg/kg body weight) during the first 6–15 days of pregnancy. Slower weight gain was observed in 5 out of 21 rats subjected to a 200 mg/kg dose, as well as 2 out of 20 subjected to a 100 mg/kg dose. Compared with the solvent control group, the calibration weight gain in the 200 mg/kg and 100 mg/kg dosage groups respectively, during first 6–20 pregnant days were significantly different (P<0.01, P<0.05). Significant dose related adverse effects to other reproductive parameters were not seen in F0 and F1, but the number of stillbirths in high dose group showed notably difference compared with the control group (P<0.05), while the litter incidence showed no difference. No Metacavir-associated pathological changes were observed. The present research indicated that at a dose of 200 mg/(kg·d) (i.e., 40 times the effective dose in rats), Metacavir shows some maternal toxicity to SD rats. The embryotoxicity in the 200 mg/kg group encompass decreased fetal body weight, and higher fetal mortality rates, compared with the control group. However, the litter incidence showed no statistical difference. All the treated rats displayed normal bone development, no teratogenicity and without adverse effects on fetal development, thus indicating that below a dose of 200 mg/(kg·d) there is no teratogenic side effects.

关键词： deoxyguanosine analogue     Metacavir     pregnancy     maternal toxicity     embryo toxicity     teratogenicity    

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Interaction and combined toxicity of microplastics and per- and polyfluoroalkyl substances in aquatic

《环境科学与工程前沿（英文）》 2022年 第16卷 第10期 doi: 10.1007/s11783-022-1571-2

摘要：

● Adsorption of PFASs on MPs and its mechanisms are critically reviewed.

关键词： Microplastics     Per- and Polyfluoroalkyl substances     Adsorption     Transport     Transformation    

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Product identification and toxicity change during oxidation of methotrexate by ferrate and permanganate

《环境科学与工程前沿（英文）》 2022年 第16卷 第7期 doi: 10.1007/s11783-021-1501-8

摘要：

• Oxidation of methotrexate by high-valent metal-oxo species was first explored.

关键词： Anticancer drugs     High-valent metal-oxo species     Oxidation kinetics     Reaction mechanisms     Multi-endpoint toxicity    

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Evaluation of soil microbial toxicity of waste foundry sand for soil-related reuse

Haifeng ZHANG, Lu SU, Xiangyu LI, Jiane ZUO, Guangli LIU, Yujue WANG

《环境科学与工程前沿（英文）》 2014年 第8卷 第1期   页码 89-98 doi: 10.1007/s11783-013-0591-3

摘要： The relationship between the chemical contaminants and soil microbial toxicity of waste foundry sand (WFS) was investigated. Five different types of WFS from typical ferrous, aluminum, and steel foundries in China were examined for total metals, leachable metals, and organic contaminants. The soil microbial toxicity of each WFS was evaluated by measuring the dehydrogenase activity (DHA) of a blended soil and WFS mixture and then comparing it to that of unblended soil. The results show that the five WFSs had very different compositions of metal and organic contaminants and thus exhibited very different levels of soil microbial inhibition when blended with soil. For a given WFS blended with soil in the range of 10 wt.%–50 wt.% WFS, the DHA decreased almost linearly with increased blending ratio. Furthermore, for a given blending ratio, the WFSs with higher concentrations of metal and organic contaminants exhibited greater microbial toxicity. Correlation analysis shows that the relationship between ecotoxicity and metal and organic contaminants of WFSs can be described by an empirical logarithmic linear model. This model may be used to control WFS blending ratios in soil-related applications based on chemical analysis results to prevent significant inhibition of soil microbial activity.

关键词： waste foundry sand     toxicity     bioassay     soil microbial activity     waste reuse    

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ROUTE DEVELOPMENT, ANTIVIRAL STUDIES, FIELD EVALUATION AND TOXICITY OF AN ANTIVIRAL PLANT PROTECTANT

《农业科学与工程前沿（英文）》 2022年 第9卷 第1期 doi: 10.15302/J-FASE- 2021390

摘要：

It has previously been shown that tryptophan, the biosynthesis precursor of Peganum harmala alkaloids, and its derivatives have anti-TMV activity both in vitro and in vivo. Further exploration of this led to the identification of NK0238 as a highly effective agent for the prevention and control of diseases caused by plant viruses, but the existing routes are unsuitable for its large-scale synthesis. This study optimized a route for two-step synthesis of this virucide candidate via reaction of l-tryptophan with triphosgene to produce l-tryptophan-N-carboxylic anhydride, which then reacts with n-octylamine to give NK0238 at up to 94% yield and nearly 97% HPLC purity. In addition, the route was used for the preparation of NK0238 on a>40 g scale permitting further assessment of its antivirus activity in the greenhouse and field experiments, and toxicity tests. NK0238 exhibited useful antiviral activities against a variety of viruses both in greenhouse and field experiments. The toxicity tests showed that NK0238 was not acutely toxic to birds, fish, honey bees and silkworms. The optimized route provides a solid foundation for its large-scale synthesis and subsequent efficacy and toxicity studies, its excellent activity and safety make NK0238 a promising drug candidate for further development.

 

关键词： antiviral plant protectant / antiviral in the greenhouse / field evaluation / l-trp-NCA / synthesis optimization / toxicity tests    

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Washing out heavy metals from contaminated soils from an iron and steel smelting site

Guangxu ZHU,Qingjun GUO,Junxing YANG,Hanzhi ZHANG,Rongfei WEI,Chunyu WANG,Marc PETERS,Xiaoyong ZHOU,Jun YANG

《环境科学与工程前沿（英文）》 2015年 第9卷 第4期   页码 634-641 doi: 10.1007/s11783-014-0713-6

摘要： Washing is a promising method for separating contaminants bound to the particles of soil by chemical mobilization. Laboratory batch washing experiments were conducted using deionized water and varying concentrations of oxalic acid, citric acid, tartaric acid, acetic acid, hydrochloric acid and ethylenediaminetetra acetic acid (EDTA) to assess the efficiency of using these chemicals as washing agents and to clean up heavy metals from two heavily polluted soils from an iron and streel smelting site. The toxicity reduction index and remediation costs were analyzed, and the results showed that the soils were polluted with Cd, Pb and Zn. Hydrochloric acid and EDTA were more efficient than the other washing agents in the remediation of the test soils. The maximum total toxicity reduction index showed that 0.5 mol·L hydrochloric acid could achieve the remediation with the lowest costs.

关键词： heavy metals     soil washing     toxicity reduction index     iron and steel smelting site    

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Understanding the role of nano-TiO on the toxicity of Pb on through modeling–Is it additive or synergistic

《环境科学与工程前沿（英文）》 2022年 第16卷 第5期 doi: 10.1007/s11783-021-1493-4

摘要：

• A two-compartment model is able to quantify the effect of nano-TiO2 on Pb toxicity.

关键词： Algae     C. dubia     Lead     Nano-TiO2     Synergistic toxicity     Two-compartment toxicokinetic-toxicodynamic model    

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Toxicity models of metal mixtures established on the basis of “additivity” and “interactions”

Yang Liu,Martina G. Vijver,Bo Pan,Willie J. G. M. Peijnenburg

《环境科学与工程前沿（英文）》 2017年 第11卷 第2期 doi: 10.1007/s11783-017-0916-8

摘要： · No preference is set between CA and IA models to assess toxicity of metal mixtures. · Increased model complexity does not, by itself, lead to improved performance. · Not all significant deviations have biological meaning due to poor reproducibility. · Interactions are suggested to incorporate when they are significant and repeated. Observed effects of metal mixtures on animals and plants often differ from the estimates, which are commonly calculated by adding up the biological responses of individual metals. This difference from additivity is commonly referred to as being a consequence of specific interactions between metals. The science of how to quantify metal interactions and whether to include them in risk assessment models is in its infancy. This review summarizes the existing predictive tools for evaluating the combined toxicity of metals present in mixtures and indicates the advantages and disadvantages of each method. We intend to provide eco-toxicologists with background information on how to make good use of the tools and how to advance the methods for assessing toxicity of metal mixtures. It is concluded that statistically significant deviations from additivity are not necessarily biologically relevant. Incorporation of interactions between metals in a model does not on forehand mean that the model is more accurate than a model developed based on additivity only. It is recommended to first use a relatively simple method for effect prediction of uninvestigated metal mixtures. To improve the reliability of toxicity modeling for metal mixtures, further efforts should focus on balancing the relationship between the significance of statistics and the biological meaning, and unraveling the toxicity mechanisms of metals and their mixtures.

关键词： Metal     Mixtures     Toxicity     Additivity     Modeling     Interactions    

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Leaching toxicity characteristics of municipal solid waste incineration bottom ash

Khamphe PHOUNGTHONG,Yi XIA,Hua ZHANG,Liming SHAO,Pinjing HE

《环境科学与工程前沿（英文）》 2016年 第10卷 第2期   页码 399-411 doi: 10.1007/s11783-015-0819-5

摘要： The continuously increasing production of municipal solid waste incineration bottom ash (MSWIBA) has promoted its utilization as construction material and raised environmental concern. The physico-chemical properties and leaching behavior of MSWIBA were studied, and ecotoxicological testing using a luminescent bacterium bioassay was performed to assess the ecological pollution risks associated with its leached constituents. The MSWIBA was leached by two types of leachants, H SO /HNO and HAc solution, at different liquid to solid ratios and contact times. The concentrations of heavy metals and anions in the leachates were analyzed. Multivariate statistical analyses, including principle component analysis, Pearson's correlation analysis and hierarchical cluster analysis, were used to evaluate the contributions of the constituents to the toxicity ( ) of the MSWIBA leachate. The statistical analyses of the ecotoxicological results showed that the Ba, Cr, Cu, Pb, F and total organic carbon (TOC) concentrations were closely correlated with the value, and these substances were the main contributors to the ecotoxicity of the MSWIBA leachate. In addition, the cluster of these variables indicated similar leaching behaviors. Overall, the research demonstrated that the ecotoxicological risks resulting from MSWIBA leaching could be assessed before its utilization, which provides crucial information for the adaptation of MSWIBA as alternative materials.

关键词： Municipal solid waste incineration     bottom ash     alternative material     leaching tests     toxicity     Vibrio qinghaiensis (Q67)    

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Toxicity-oriented water quality engineering

Shengkun Dong, Chenyue Yin, Xiaohong Chen

《环境科学与工程前沿（英文）》 2020年 第14卷 第5期 doi: 10.1007/s11783-020-1259-4

摘要： • Toxicity-oriented water quality monitoring was proposed. • Toxicity-oriented water quality engineering control was proposed. • Future issues to the proposition were discussed. The fundamental goal of water quality engineering is to ensure water safety to humans and the environment. Traditional water quality engineering consists of monitoring, evaluation, and control of key water quality parameters. This approach provides some vital insights into water quality, however, most of these parameters do not account for pollutant mixtures – a reality that terminal water users face, nor do most of these parameters have a direct connection with the human health safety of waters. This puts the real health-specific effects of targeted water pollutant monitoring and engineering control in question. To focus our attention to one of the original goals of water quality engineering – human health and environmental protection, we advocate here the toxicity-oriented water quality monitoring and control. This article presents some of our efforts toward such goal. Specifically, complementary to traditional water quality parameters, we evaluated the water toxicity using high sensitivity toxicological endpoints, and subsequently investigated the performance of some of the water treatment strategies in modulating the water toxicity. Moreover, we implemented the toxicity concept into existing water treatment design theory to facilitate toxicity-oriented water quality control designs. Suggestions for the next steps are also discussed. We hope our work will intrigue water quality scientists and engineers to improve and embrace the mixture water pollutant and toxicological evaluation and engineering control.

关键词： Water     Wastewater     Mixture     Toxicity     Monitor     Control    

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Assessment of toxicity of two nitroaromatic compounds in the freshwater fish

Hongyan SHEN, Jixi GAO, Jinsheng WANG

《环境科学与工程前沿（英文）》 2012年 第6卷 第4期   页码 518-523 doi: 10.1007/s11783-012-0427-6

摘要： This study was conducted to evaluate the toxicological response of -nitrotoluene and -nitroaniline to the key fish species, . A freshwater fish bioassay based on the 96 h was used to estimate the single and joint toxicity of the two chemicals. The toxicity of -nitrotoluene was greater than that of -nitroaniline based on 96 h values of 40.74 mg·L and 48.99 mg·L , respectively. Both compounds had moderate toxicity toward , and this toxicity increased with the exposure duration and concentration. Binary mixtures of the compounds were more toxic than the individual compounds at 96 h, and they acted upon partial addition. When the exposure time was longer, the toxicity increased for mixtures of compounds with the same concentration or toxicity. The results of this study suggest that exposure to a combination of these chemicals would result in a higher environmental risk in aquatic systems than exposure to either compound alone. Further research is needed to investigate the combined effects and sublethal toxicity of -nitrotoluene and -nitroaniline, since they are both still used in China.

关键词： joint toxicity     Cyprinus carpio     LC50     p-nitrotoluene     p-nitroaniline     toxic unit    

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Predictive models on photolysis and photoinduced toxicity of persistent organic chemicals

Qing ZHANG

《环境科学与工程前沿（英文）》 2013年 第7卷 第6期   页码 803-814 doi: 10.1007/s11783-013-0547-7

摘要： Photodegradation is a major abiotic transformation pathway of toxic chemicals in the environment, which in some cases might lead to photoinduced toxicities. The data on photodegradation kinetics and photoinduced toxicities of organic chemicals are essential for their risk assessment. However, the relevant data are only available for a limited number of chemicals, due to the difficulty and high cost of experimental determination. Quantitative structure-activity relationship (QSAR) models that relate photodegradation kinetics or photoinduced toxicity of organic chemicals with their physicochemical properties or molecular structural descriptors may enable simple and fast estimation of their photochemical behaviors. This paper reviews the QSAR models on photodegradation quantum yields and rate constants for toxic organic chemicals in different media including liquid phase, gaseous phase, surfaces of plant leaves, and QSAR models on photoinduced toxicity of organic chemicals to plants, bacteria, and aquatic invertebrates. Further prospects for QSAR model development on photodegradation kinetics and photoinduced toxicity of refractory organic chemicals are proposed.

关键词： quantitative structure-activity relationship (QSAR) models     photodegradation     persistent organic pollutants     environmental media     mechanisms    

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ROUTE DEVELOPMENT, ANTIVIRAL STUDIES, FIELD EVALUATION AND TOXICITY OF AN ANTIVIRAL PLANT PROTECTANT

Wentao XU, Hao TIAN, Hongjian SONG, Yuxiu LIU, Yongqiang LI, Qingmin WANG

《农业科学与工程前沿（英文）》   页码 110-119 doi: 10.15302/J-FASE-2021390

摘要： It has previously been shown that tryptophan, the biosynthesis precursor of alkaloids, and its derivatives have anti-TMV activity both and . Further exploration of this led to the identification of NK0238 as a highly effective agent for the prevention and control of diseases caused by plant viruses, but the existing routes are unsuitable for its large-scale synthesis. This study optimized a route for two-step synthesis of this virucide candidate via reaction of L-tryptophan with triphosgene to produce L-tryptophan- -carboxylic anhydride, which then reacts with -octylamine to give NK0238 at up to 94% yield and nearly 97% HPLC purity. In addition, the route was used for the preparation of NK0238 on a > 40 g scale permitting further assessment of its antivirus activity in the greenhouse and field experiments, and toxicity tests. NK0238 exhibited useful antiviral activities against a variety of viruses both in greenhouse and field experiments. The toxicity tests showed that NK0238 was not acutely toxic to birds, fish, honey bees and silkworms. The optimized route provides a solid foundation for its large-scale synthesis and subsequent efficacy and toxicity studies, its excellent activity and safety make NK0238 a promising drug candidate for further development.

关键词： antiviral plant protectant     antiviral in the greenhouse     field evaluation     L-trp-NCA     synthesis optimization     toxicity tests    

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标题 作者 时间 类型 操作

Identification of important precursors and theoretical toxicity evaluation of byproducts driving cytotoxicity

Qian-Yuan Wu, Yi-Jun Yan, Yao Lu, Ye Du, Zi-Fan Liang, Hong-Ying Hu

期刊论文

Assessing combined toxic effects of tetracycline and P25 titanium dioxide nanoparticles using

Barsha Roy, Khushboo Kadam, Suresh Palamadai Krishnan, Chandrasekaran Natarajan, Amitava Mukherjee

期刊论文

Reproductive toxicity study with a novel deoxyguanosine analogue (Metacavir) in pregnant SD rats

null

期刊论文

Interaction and combined toxicity of microplastics and per- and polyfluoroalkyl substances in aquatic

期刊论文

Product identification and toxicity change during oxidation of methotrexate by ferrate and permanganate

期刊论文

Evaluation of soil microbial toxicity of waste foundry sand for soil-related reuse

Haifeng ZHANG, Lu SU, Xiangyu LI, Jiane ZUO, Guangli LIU, Yujue WANG

期刊论文

ROUTE DEVELOPMENT, ANTIVIRAL STUDIES, FIELD EVALUATION AND TOXICITY OF AN ANTIVIRAL PLANT PROTECTANT

期刊论文

Washing out heavy metals from contaminated soils from an iron and steel smelting site

Guangxu ZHU,Qingjun GUO,Junxing YANG,Hanzhi ZHANG,Rongfei WEI,Chunyu WANG,Marc PETERS,Xiaoyong ZHOU,Jun YANG

期刊论文

Understanding the role of nano-TiO on the toxicity of Pb on through modeling–Is it additive or synergistic

期刊论文

Toxicity models of metal mixtures established on the basis of “additivity” and “interactions”

Yang Liu,Martina G. Vijver,Bo Pan,Willie J. G. M. Peijnenburg

期刊论文

Leaching toxicity characteristics of municipal solid waste incineration bottom ash

Khamphe PHOUNGTHONG,Yi XIA,Hua ZHANG,Liming SHAO,Pinjing HE

期刊论文

Toxicity-oriented water quality engineering

Shengkun Dong, Chenyue Yin, Xiaohong Chen

期刊论文

Assessment of toxicity of two nitroaromatic compounds in the freshwater fish

Hongyan SHEN, Jixi GAO, Jinsheng WANG

期刊论文

Predictive models on photolysis and photoinduced toxicity of persistent organic chemicals

Qing ZHANG

期刊论文

ROUTE DEVELOPMENT, ANTIVIRAL STUDIES, FIELD EVALUATION AND TOXICITY OF AN ANTIVIRAL PLANT PROTECTANT

Wentao XU, Hao TIAN, Hongjian SONG, Yuxiu LIU, Yongqiang LI, Qingmin WANG

期刊论文