Abstract：
:As an effective organochlorine pesticide, Dicofol has been extensively applied in more than 30 countries for protecting over 60 different crops. Considering its large consumption and potential adverse effect on human health (endocrine disrupting and carcinogenicity), the fate of Dicofol sprayed into the air is of public concern. In this study, we conducted a comprehensive study on the reaction mechanisms of p,p'-Dicofol with OH and NO3 radicals using DFT method. Comparing the abstrations by OH and NO3 radical, OH and NO3 radical addition reactions are predominant due to the lower potential barriers and stronger heat release. The phenolic substances (P1P5), epoxides (P11 and P15), dialdehyde (P13) and other species (P8, P9, P10 and P14) are generated by OH additions and their subsequent reactions while OH abstraction reactions produce DCBP, P7 and chlorphenyl radical. Particularly, NO3 additions and their subsequent reactions yield dialdehydes (P16 and P17) and 2,8-DCDD, which is the first report of the generation of dioxin from atmospheric oxidation of p,p'-Dicofol. Additionally, based on the structure optimization and energy calculation, rate constants and Arrhenius formulas of the elementary reactions of p,p'-Dicofol with OH and NO3 radicals were obtained over the temperature range of 280-380 K and at 1 atm. The rate constants for the reactions of p,p'-Dicofol with OH and NO3 radicals are 1.51 × 10-12 and 8.88 × 10-14 cm3 molecule-1 s-1, respectively. The lifetime (τTotal) of p,p'-Dicofol determined by the reactions of OH and NO3 radical is 5.86 h, indicating a potential long-range transport in the atmosphere.
journal_name
Chemospherejournal_title
Chemosphereauthors
Dang J,Tian S,Zhang Qdoi
10.1016/j.chemosphere.2018.12.048subject
Has Abstractpub_date
2019-03-01 00:00:00pages
645-654eissn
0045-6535issn
1879-1298pii
S0045-6535(18)32370-1journal_volume
219pub_type
杂志文章相关文献
CHEMOSPHERE文献大全abstract：:The hypoglycemic pharmaceutical glibenclamide (GLB) is widely used around the world. This medication is released into the environment by municipal, hospital and industrial wastewater discharges. Although there are reports of its environmental occurrence in the scientific literature, toxicity studies on aquatic species...
journal_title：Chemosphere
pub_type： 杂志文章
doi：10.1016/j.chemosphere.2018.01.020
更新日期：2018-04-01 00:00:00
abstract：:Emissions of the fragrance compound OTNE (Iso-E-Super) to surface waters have been investigated by means of a combined analytical (measurements) and modeling approach. The compound is an ingredient in many household products and is emitted into surface waters almost exclusively via the wastewater pathway. Measured con...
journal_title：Chemosphere
pub_type： 杂志文章
doi：10.1016/j.chemosphere.2008.06.057
更新日期：2008-11-01 00:00:00
abstract：:Stormwater wet detention ponds hold a permanent pool of water and offer many beneficial uses including flood mitigation, pollution prevention, downstream erosion control, increased aesthetics, and recreational uses. Although the removal of nutrients is generally low for stormwater wet detention ponds in urban areas, f...
journal_title：Chemosphere
pub_type： 杂志文章
doi：10.1016/j.chemosphere.2015.08.023
更新日期：2016-02-01 00:00:00
abstract：:1,4-dioxane is often found as a co-contaminant with chlorinated volatile organic compounds (VOCs) at solvent release sites such as landfills, solvent recycling facilities, or fire training areas. Historically, soil and groundwater samples were not routinely analyzed for 1,4-dioxane and therefore the number of known 1,...
journal_title：Chemosphere
pub_type： 杂志文章
doi：10.1016/j.chemosphere.2015.08.063
更新日期：2016-02-01 00:00:00
abstract：:Bioaccumulation of heavy metals and its associated histological perturbations were studied in various tissues of Mugil cephalus collected from Ennore estuary and compared with the fish collected from off-shore region. The concentration of copper, lead, zinc, cadmium, manganese and iron were quantified in gills, liver ...
journal_title：Chemosphere
pub_type： 杂志文章
doi：10.1016/j.chemosphere.2013.01.021
更新日期：2013-05-01 00:00:00
abstract：:Cadmium is perhaps environmentally the most significant heavy metal in soils. Bioavailability, remobilization and fate of Cd entering in soils are usually controlled by adsorption-desorption reactions on Fe oxides. Adsorption of Cd on soil colloids including Fe oxides has been extensively studied but Cd desorption fro...
journal_title：Chemosphere
pub_type： 杂志文章
doi：10.1016/j.chemosphere.2005.10.041
更新日期：2006-07-01 00:00:00
abstract：:Used baby diaper consists of a combination of decomposable cellulose, non-biodegradable plastic materials (e.g. polyolefins) and super-absorbent polymer materials, thus making it difficult to be sorted and separated for recycling. Microwave pyrolysis was examined for its potential as an approach to transform used baby...
journal_title：Chemosphere
pub_type： 杂志文章
doi：10.1016/j.chemosphere.2019.05.054
更新日期：2019-09-01 00:00:00
abstract：:Organic sediments are known to be a significant sink of inorganic elements in polluted freshwater ecosystems. Hence, we investigated the role of invertebrate shredders (the freshwater shrimp Gammarus pulex L.) in metal and arsenic enrichment into organic partitions of sediments in a wetland stream at former uranium mi...
journal_title：Chemosphere
pub_type： 杂志文章
doi：10.1016/j.chemosphere.2010.01.015
更新日期：2010-03-01 00:00:00
abstract：:The emissions of polybrominated diphenyl ethers (PBDEs), polybrominated dibenzo-p-dioxins and dibenzofurans (PBDD/Fs) and their chlorinated analogues (PCDD/Fs) during the thermal treatment of a high impact polystyrene (HIPS) TV casing were investigated. The halogenated compounds were analyzed in the original material ...
journal_title：Chemosphere
pub_type： 杂志文章
doi：10.1016/j.chemosphere.2014.10.085
更新日期：2015-03-01 00:00:00
abstract：:A bacterial isolate producing siderophore under iron limiting conditions, was isolated from mangroves of Goa. Based on morphological, biochemical, chemotaxonomical and 16S rDNA studies, the isolate was identified as Bacillus amyloliquefaciens NAR38.1. Preliminary characterization of the siderophore indicated it to be ...
journal_title：Chemosphere
pub_type： 杂志文章
doi：10.1016/j.chemosphere.2013.06.036
更新日期：2013-11-01 00:00:00
abstract：:The occurrence of emerging contaminants in our water resources poses potential threats to the livings. Due to the poor treatment in wastewater management, treatment technologies are needed to effectively remove these products for living organism safety. In this study, Graphene oxide (GO) was tested for the first time ...
journal_title：Chemosphere
pub_type： 杂志文章
doi：10.1016/j.chemosphere.2017.03.071
更新日期：2017-07-01 00:00:00
abstract：:Manipulative field studies are useful for investigating cause-effect relationships between contamination and benthic community health. However, there are many challenges for creating environmentally relevant exposures and determining what measurements are necessary to correctly interpret the results. This study descri...
journal_title：Chemosphere
pub_type： 杂志文章
doi：10.1016/j.chemosphere.2010.12.089
更新日期：2011-04-01 00:00:00
abstract：:This study aimed to evaluate the effects of copper on N-methylformamide (NMF)- and methyl diglycol (MDG)-containing wastewater treatment using batch experiments and a lab-scale anoxic-oxic (A/O) sequencing batch reactor (SBR). Batch experimental results indicated that aerobic degradation of NMF followed Monod-type kin...
journal_title：Chemosphere
pub_type： 杂志文章
doi：10.1016/j.chemosphere.2020.127125
更新日期：2020-11-01 00:00:00
abstract：:A column leaching study was carried out over a period of 77 days to determine the changes in the chemistry of an acid soil and of the corresponding leachates after the addition of an anaerobic sludge (equivalent to 69 Mg DW ha(-1)). By the end of the experiment, the addition of the sludge to the soil had induced an in...
journal_title：Chemosphere
pub_type： 杂志文章
doi：10.1016/j.chemosphere.2006.04.044
更新日期：2006-12-01 00:00:00
abstract：:In this study, the activity concentrations of ²¹⁰Po and ²¹⁰Pb were determined in mussel samples (Mytilus galloprovincialis) collected from the Turkish coast of the Aegean Sea. The samples were collected seasonally for a period of two years (2004-2006) at six coastal stations (Çanakkale, Dikili, Foça, Çeşme, Didim, Bod...
journal_title：Chemosphere
pub_type： 杂志文章
doi：10.1016/j.chemosphere.2011.01.032
更新日期：2011-05-01 00:00:00
abstract：:The covalent organic framework (COF) is made light elements linked by covalent networks. This study synthesize and characterized, and for the first time applied the produced EB-COF:Br as adsorbent for phosphate and arsenate removal from nearly neutral waters. The synthesized COF was first proven structurally stable in...
journal_title：Chemosphere
pub_type： 杂志文章
doi：10.1016/j.chemosphere.2020.126736
更新日期：2020-08-01 00:00:00
abstract：:This paper presents a comparison between two different materials used as carriers: inert polyurethane (PU) foam and biodegradable polymer polycaprolactone (PCL) particles for the removal of organics and nitrogen from wastewater with a low C/N ratio using moving bed biofilm reactors. The results, during a monitoring pe...
journal_title：Chemosphere
pub_type： 杂志文章
doi：10.1016/j.chemosphere.2010.12.077
更新日期：2011-03-01 00:00:00
abstract：:In this study the effects of different levels of industrial wastes on growth traits and metal accumulation in aerial portions were determined for Populusxeuramericana clone I-214. The experiment started in April 2003. Scions of Populusxeuramericana clone I-214, were grown outdoor near Pisa (Italy), in lisimeters fille...
journal_title：Chemosphere
pub_type： 杂志文章
doi：10.1016/j.chemosphere.2005.11.021
更新日期：2006-06-01 00:00:00
abstract：:The absolute temperature-dependent kinetics for the reaction between hydroxyl radicals and the chloramine water disinfectant species monochloramine (NH2Cl), as well as dichloramine (NHCl2) and trichloramine (NCl3), have been determined using electron pulse radiolysis and transient absorption spectroscopy. These radica...
journal_title：Chemosphere
pub_type： 杂志文章
doi：10.1016/j.chemosphere.2017.08.053
更新日期：2017-11-01 00:00:00
abstract：:The purpose of this study is to develop an aerosol generating system that can produce particles of micrometer size in a convenient and efficient way. This system is comprised of an ultrasonic atomizer, potassium sodium tartrate tetrahydrate (PST) as solute and a program-controlled solute feeding unit with different PS...
journal_title：Chemosphere
pub_type： 杂志文章
doi：10.1016/j.chemosphere.2008.06.023
更新日期：2008-10-01 00:00:00
abstract：:PCDD/F and dioxin-like PCB concentrations were compared in different samples of a municipal solid waste (MSW) treatment plant: the initial MSW fraction that enters the biomethanation from the digester, the semi-solid digestate obtained after biomethanation of MSW, and the solids after composting the digestate since th...
journal_title：Chemosphere
pub_type： 杂志文章
doi：10.1016/j.chemosphere.2013.10.004
更新日期：2014-03-01 00:00:00
abstract：:Polybrominated diphenyl ethers (PBDEs) are flame retardants generally employed in manufacturing household items. Surface water may remove and carry these chemicals to the drainage upon disposal of the items, and ultimately the chemicals enter our food chain. 2,2',4,4'-Tetrabromodiphenyl ether (BDE-47) is a PBDE congen...
journal_title：Chemosphere
pub_type： 杂志文章
doi：10.1016/j.chemosphere.2017.04.089
更新日期：2017-08-01 00:00:00
abstract：:Chlorpyrifos (O,O-diethyl O-3,5,6-trichloro-2 pyridyl phosphorothioate) 20 EC and Quinalphos (O,O-diethyl O-quinoxalin-2-yl phosphorothioate) 25 EC, were applied in groundnut (Arachis hypogaea L.) field as seed treatment at 25 ml/kg and soil treatment at 4 l/ha in 1998 and 1999. The residues of these insecticides were...
journal_title：Chemosphere
pub_type： 杂志文章
doi：10.1016/j.chemosphere.2005.07.053
更新日期：2006-05-01 00:00:00
abstract：:We performed a laboratory investigation of the secondary organic aerosol (SOA) formation from cyclohexene photooxidation with different initial NOx and SO2 concentrations at low and high relative humidity (RH). Both SOA yield and number concentration first increase drastically and then, decreased when the [VOC]0/[NOx]...
journal_title：Chemosphere
pub_type： 杂志文章
doi：10.1016/j.chemosphere.2018.10.180
更新日期：2019-02-01 00:00:00
abstract：:Magnetic biochar was made from peanut hull biomass using iron chloride in a simplified aqueous phase approach and pyrolysis at alternative peak temperatures (450-650 °C). Magnetic biochar showed an extreme capacity for adsorption of hexavalent chromium Cr (VI) from aqueous solution, which was 1-2 orders of magnitude h...
journal_title：Chemosphere
pub_type： 杂志文章
doi：10.1016/j.chemosphere.2015.11.050
更新日期：2016-02-01 00:00:00
abstract：:This study presented chemical immobilization of an iron(III)-based metal-organic framework [NH2-MIL-101(Fe)] on the surface of sand particles and its application for Cr(VI) photocatalytic reduction using visible light. The surface of sand particles was functionalized with (3-chloropropyl)trimethoxy silane to provide t...
journal_title：Chemosphere
pub_type： 杂志文章
doi：10.1016/j.chemosphere.2020.129365
更新日期：2020-12-18 00:00:00
abstract：:Chewing and mouthing behaviors exhibited by pet dogs are likely to lead to oral exposures to a variety of environmental chemicals. Products intended for chewing and mouthing uses include toys and training devices that are often made of plastics. The goal of the current study was to determine if a subset of phthalates ...
journal_title：Chemosphere
pub_type： 杂志文章
doi：10.1016/j.chemosphere.2013.07.075
更新日期：2013-11-01 00:00:00
abstract：:This paper evaluates the speciation and partitioning of mercury in two Spanish pulverised coal combustion power plants (PP1 and PP2), equipped with wet limestone-based flue gas desulphurisation facilities (FGD) operating with forced oxidation and re-circulation of FGD water streams. These plants are fed with coal (PP1...
journal_title：Chemosphere
pub_type： 杂志文章
doi：10.1016/j.chemosphere.2011.06.081
更新日期：2011-10-01 00:00:00
abstract：:The exponential increase in the usage of engineered nanoparticles (ENPs) has raised global concerns due to their potential toxicity and environmental impacts. Nano-TiO2 and nano-ZnO have been extensively used in various applications. Thus, there is a need for determining the toxic potentials of ENPs as well as, to dev...
journal_title：Chemosphere
pub_type： 杂志文章
doi：10.1016/j.chemosphere.2017.08.080
更新日期：2017-11-01 00:00:00
abstract：:The performance and microbial community structure of anaerobic dynamic membrane bioreactor (AnDMBR) treating textile wastewater was investigated. The reactor showed excellent soluble COD and color removal of 98.5% and >97.5%, respectively. Dynamic membrane layer grown over the 3D printed dynamic membrane support showe...
journal_title：Chemosphere
pub_type： 杂志文章
doi：10.1016/j.chemosphere.2019.124539
更新日期：2020-01-01 00:00:00
