Abstract:
:Chemicals pollution in the environment has attracted attention all over the world, and the toxicity prediction of chemical pollutants has become quite important. In this paper, we introduce a simple approach to predict the toxicity of some chemical components, in which the Tchebichef image moment (TM) method was employed to extract useful chemical information from the images of molecular structures to establish quantitative structure-activity relationship (QSAR) prediction models. The proposed approach was applied to predict the toxicity of anilines and phenols for the aquatic organisms of P. subcapitata and V. fischeri, in which the obtained TMs were defined as the independent variables, while the biological toxicity (pEC50) was regarded to be the dependent variable. Then, the predictive models were established by stepwise regression, respectively. The obtained squared correlation coefficients of leave-one-out cross-validation (Q2) for training sets and the predictive squared correlation coefficients (Rp2) for test sets of the two groups of data were higher than 0.79 and 0.75, respectively, which indicated that the obtained models possessed satisfactory accuracy and reliability. Compared with several reported methods, the proposed approach was more convenient and has a higher predictive capability. Our study provides another perspective in QSAR research.
journal_name
Arch Environ Contam Toxicoljournal_title
Archives of environmental contamination and toxicologyauthors
Muhire J,Li BQ,Zhai HL,Li SS,Mi JYdoi
10.1007/s00244-019-00703-zsubject
Has Abstractpub_date
2020-05-01 00:00:00pages
545-554issue
4eissn
0090-4341issn
1432-0703pii
10.1007/s00244-019-00703-zjournal_volume
78pub_type
杂志文章abstract::Fish from western Lake Superior (1972-73) contained DDT and PCB residues at concentrations greater than o.1 ppm. The most predominant PCB's were those containing 3 to 6 chlorine atoms per molecule, and GLC data indicated that the mixtures were most like the commercial product Aroclor 1254(2). Other chlorinated contimi...
journal_title:Archives of environmental contamination and toxicology
pub_type: 杂志文章
doi:10.1007/BF02220927
更新日期:1977-01-01 00:00:00
abstract::The mussel Anodontites trapesialis (Lam, 1819) was used as an indicator of organochlorine pollutants in the Pardo River, located in the municipality of Ribeirão Preto (21 degrees 07'S and 47 degrees 45'W), State of São Paulo, Brazil. Biological monitoring was performed for one year at the site of a sugar cane grove on...
journal_title:Archives of environmental contamination and toxicology
pub_type: 杂志文章
doi:10.1007/BF00216244
更新日期:1992-10-01 00:00:00
abstract::A battery of in vitro bioassays, including a Neutral Red (NR) assay using MCF-7 cells for predicting cytotoxic chemicals, an ethoxy resorufin-O-deethylase (EROD) activity assay using H4IIE cells to check for dioxin-like chemicals, and a recombinant gene yeast assay for screening estrogenic chemicals, was conducted to ...
journal_title:Archives of environmental contamination and toxicology
pub_type: 杂志文章
doi:10.1007/s00244-004-0204-z
更新日期:2005-11-01 00:00:00
abstract::Metallothioneins with differing Cd/Zn ratios were prepared in vitro from rat liver zinc-thionein by replacing zinc with cadmium and were injected intraperitoneally to female rats. The distribution of cadmium, zinc, and copper in the kidney supernatant fraction was determined using a Sephadex G-75 column. The distribut...
journal_title:Archives of environmental contamination and toxicology
pub_type: 杂志文章
doi:10.1007/BF01055143
更新日期:1979-01-01 00:00:00
abstract::Mercury (Hg) used in gold amalgamation is a major source of contamination in developing countries. Water, sediments, plankton, fish, and human samples from Grande Marsh, a Hg-polluted marsh located in the south of Bolívar, municipality of Montecristo, Colombia, were collected during both the rainy and the dry seasons ...
journal_title:Archives of environmental contamination and toxicology
pub_type: 杂志文章
doi:10.1007/s00244-007-9129-7
更新日期:2008-08-01 00:00:00
abstract::We measured polychlorinated dibenzo-p-dioxins (PCDDs), polychlorinated dibenzofurans (PCDFs), polychlorinated biphenyls (PCBs), organochlorine pesticides, and mercury in wood duck (Aix sponsa) eggs collected near a North Carolina (USA) bleached kraft paper mill. Samples were taken a decade after the mill stopped using...
journal_title:Archives of environmental contamination and toxicology
pub_type: 杂志文章
doi:10.1007/s00244-008-9199-1
更新日期:2008-11-01 00:00:00
abstract::The focus of this research on children's playgrounds with artificial surfaces aimed to establish levels of potentially toxic elements (PTEs) in dust, their origin, and impact on children at 15 playgrounds: 9 on school grounds and 6 on day nurseries in Belgrade (Serbia). Soil samples were taken from the immediate vicin...
journal_title:Archives of environmental contamination and toxicology
pub_type: 杂志文章
doi:10.1007/s00244-019-00702-0
更新日期:2020-02-01 00:00:00
abstract::The present study investigates the accumulation of heavy metals [copper (Cu), lead (Pb), zinc (Zn), magnesium (Mn), cadmium (Cd), nickel (Ni), and chromium (Cr)] in tadpoles inhabiting the metalliferous streams flowing within the Asprolakkas River basin (northeast Chalkidiki peninsula, Greece) and the effect of potent...
journal_title:Archives of environmental contamination and toxicology
pub_type: 杂志文章
doi:10.1007/s00244-012-9775-2
更新日期:2012-10-01 00:00:00
abstract::Mercury (Hg) concentrations in fish in boreal reservoirs have been shown to be increased for up to 3 decades after impoundment. However, the time course of increased concentrations is not well known. The purpose of this study was to determine the evolution of Hg concentrations in fish in the boreal reservoirs of north...
journal_title:Archives of environmental contamination and toxicology
pub_type: 杂志文章
doi:10.1007/s00244-006-0113-4
更新日期:2007-10-01 00:00:00
abstract::The toxicity of mercury (HgCl2), copper (CuCl2: 5 H20), nickel (NiSO4: 6 H2O), lead (Pb(CH3COO)2: 3 H2O) and cobalt (CoCl2: 6 H2O) was studied under standardized conditions in embryos and larvae of the zebrafish, Brachydanio rerio. Exposures were started at the blastula stage (2-4 h after spawning) and the effects on ...
journal_title:Archives of environmental contamination and toxicology
pub_type: 杂志文章
doi:10.1007/BF01055567
更新日期:1991-07-01 00:00:00
abstract::Both the efficacy and fate of most foliar-applied pesticides may be affected by weather variables, especially rain. A multiple-intensity rainfall simulator was used to determine the effects of rainfall intensity and amount on concentrations of carbaryl (Sevin(R) XLS Plus) washed from soybean plants. Two hours after ca...
journal_title:Archives of environmental contamination and toxicology
pub_type: 杂志文章
doi:10.1007/BF00212372
更新日期:1996-08-01 00:00:00
abstract::The changes in the acute toxicity of 16 phenols toward Selenastrum capricornutum and Daphnia magna were examined as a function of their physical/chemical properties. The results demonstrated that phenols with a higher octanol-water partition coefficient (K(ow)) had a higher toxicity toward aquatic organisms. The toxic...
journal_title:Archives of environmental contamination and toxicology
pub_type: 杂志文章
doi:10.1007/s00244-004-1259-6
更新日期:2006-02-01 00:00:00
abstract::Data from Mixed Flask Culture (MFC) microcosms and fish single species toxicity tests were used to select treatment concentrations for littoral enclosure studies. Selected concentrations were evaluated by comparing the predicted responses to those observed in littoral enclosure studies with a pyrethroid pesticide, esf...
journal_title:Archives of environmental contamination and toxicology
pub_type: 杂志文章
doi:10.1007/BF00211627
更新日期:1995-05-01 00:00:00
abstract::The concentrations of polychlorinated dibenzo-p-dioxins (PCDD) and polychlorinated dibenzofurans (PCDF) were determined in soil samples taken from 24 sites in the vicinity of a municipal solid waste incinerator (Montcada, Barcelona, Spain). Samples were collected within a radius of 3 km in each of the three main direc...
journal_title:Archives of environmental contamination and toxicology
pub_type: 杂志文章
doi:10.1007/s002449900249
更新日期:1997-10-01 00:00:00
abstract::Residues of organic contaminants--including toxaphene, DDT, trifluralin, hexachlorocyclohexanes, polychlorinated biphenyls, polycyclic aromatic hydrocarbons (PAHs) and nonylphenol--were measured in 32 cotton field soils collected from South Carolina and Georgia in 1999. Toxaphene, trifluralin, DDT and PAHs were the ma...
journal_title:Archives of environmental contamination and toxicology
pub_type: 杂志文章
doi:10.1007/s00244-002-0267-7
更新日期:2003-07-01 00:00:00
abstract::Acute toxicity tests of selenium dioxide were conducted for 96 to 336 hr in intermittent-flow bioassay systems using six species of freshwater fish. The decreasing order of species sensitivity was: fathead minnow, flagfish, brook trout, channel catfish, goldfish, and bluegil. Curves relating median lethal concentratio...
journal_title:Archives of environmental contamination and toxicology
pub_type: 杂志文章
doi:10.1007/BF02221018
更新日期:1976-01-01 00:00:00
abstract::The toxicities and oxidative stress-inducing actions of (-)-nicotine and smokeless tobacco extract (STE), containing equivalent amounts of nicotine, were studied. Toxicities were determined by colony formation assays using Chinese hamster ovary (CHO) cells. Results indicated that nicotine is less toxic than smokeless ...
journal_title:Archives of environmental contamination and toxicology
pub_type: 杂志文章
doi:10.1007/s002449900537
更新日期:1999-11-01 00:00:00
abstract::Mercury accumulation rates measured in age-dated sediment cores were compared at three Washington state lakes. Offutt Lake and Lake St. Clair are located immediately downwind (18 and 28 km, respectively) of a coal-fired power plant and Lake Sammamish is located outside of the immediate area of the plant (110 km). The ...
journal_title:Archives of environmental contamination and toxicology
pub_type: 杂志文章
doi:10.1007/s00244-010-9530-5
更新日期:2011-01-01 00:00:00
abstract::Bacteria communities living in mucus secretions of common carp Cyprinus carpio (Cyprinidae) were exposed to the organic nanomaterial fullerene (C(60)) to evaluate its potential bactericidal effects. End points analyzed were viability, growth, reactive oxygen species (ROS) concentration, and total antioxidant competenc...
journal_title:Archives of environmental contamination and toxicology
pub_type: 杂志文章
doi:10.1007/s00244-010-9618-y
更新日期:2011-08-01 00:00:00
abstract::The effect of pyrene on the regulation of the gene expression of cytochrome P4501A ( CYP1A) was studied in tilapia (Oreochromis niloticus), a tropical fish of great ecological and economical importance. To evaluate CYP1A mRNA, tilapia CYP1A cDNA was cloned, sequenced, and compared with those CYP1A reported sequences i...
journal_title:Archives of environmental contamination and toxicology
pub_type: 杂志文章
doi:10.1007/s00244-001-0018-1
更新日期:2002-05-01 00:00:00
abstract::A total of 41 samples of maternal blood, milk, subcutaneous fat and umbilical cord blood were collected from mothers giving birth by Caesarean operation at Kenyatta National Hospital in Nairobi in 1986. The samples were analyzed for organochlorine contaminants. The main contaminants found in all the samples were p,p'-...
journal_title:Archives of environmental contamination and toxicology
pub_type: 杂志文章
doi:10.1007/BF00213297
更新日期:1992-01-01 00:00:00
abstract::The present study estimated hexabromocyclododecane (HBCD) as a sum of three main isomers (α, β, and γ) and tetrabromobisphenol A (TBBPA) in African penguins (Spheniscus demersus) from Gdansk Zoo and in their sole food, Baltic herring (Clupea harengus), from Gdansk Bay. The average concentration of HBCD in whole herrin...
journal_title:Archives of environmental contamination and toxicology
pub_type: 杂志文章
doi:10.1007/s00244-014-0081-z
更新日期:2015-02-01 00:00:00
abstract::The morphological alterations of hepatocytes of female zebrafish, Brachydanio rerio, and fingerling rainbow trout, Salmo gairdneri, following prolonged exposure to 0.04, 0.2 and 1 mg/L of 4-chloroaniline were investigated by means of light and electron microscopy. Changes in peroxisomes were visualized by cytochemical...
journal_title:Archives of environmental contamination and toxicology
pub_type: 杂志文章
doi:10.1007/BF01054986
更新日期:1990-05-01 00:00:00
abstract::Applications of pesticides in areas of agricultural production have been an environmental concern for the past several decades. Varying-sized watersheds draining regions of intense agriculture in the Maritime Provinces of Canada were monitored between 2003 and 2007 to determine the major in-use pesticides and to gain ...
journal_title:Archives of environmental contamination and toxicology
pub_type: 杂志文章
doi:10.1007/s00244-012-9789-9
更新日期:2012-11-01 00:00:00
abstract::The need for simple, fast and inexpensive tests to study metal pollution in the marine environment has become more pressing as utilization of coastal waters increases. To address this concern, the influence of four metals, cupric sulfate, lead nitrate, zinc sulfate and nickel sulfate, on emergence and hatching of the ...
journal_title:Archives of environmental contamination and toxicology
pub_type: 杂志文章
doi:10.1007/BF01055911
更新日期:1991-02-01 00:00:00
abstract::Adsorption isotherms and kinetics of aqueous Pb(II) by bone char meal (BM) and phosphate rock (PR) were investigated using batch experiments. Pb removal was characterized and effects of pH and reaction time on Pb removal efficiency by BM/PR were also investigated. Results indicated that Pb removal efficiency by BM and...
journal_title:Archives of environmental contamination and toxicology
pub_type: 杂志文章
doi:10.1007/s00244-009-9338-3
更新日期:2010-01-01 00:00:00
abstract::Numerous state and federal agencies are increasingly concerned with the rapid expansion of invasive, noxious weeds across the United States. Herbicides are frequently applied as weed control measures in forest and rangeland ecosystems that frequently overlap with critical habitats of threatened and endangered fish spe...
journal_title:Archives of environmental contamination and toxicology
pub_type: 杂志文章
doi:10.1007/s00244-008-9281-8
更新日期:2009-05-01 00:00:00
abstract::The Birama Swamp is the second largest wetland in the Caribbean region and it is inhabited by large populations of waterbirds. Here we report, for the first time, the foraging ecology and pollutant levels of three Ardeidae species: Cattle egret (Bubulcus ibis), Snowy egret (Egretta thula), and Tricolored heron (E. tri...
journal_title:Archives of environmental contamination and toxicology
pub_type: 杂志文章
doi:10.1007/s00244-013-9887-3
更新日期:2013-07-01 00:00:00
abstract::Dissipation processes are described for a combination of commonly used pesticides-atrazine (6-chloro-4-ethylamino-6-isopropylamino- s-triazine), metolachlor (2-chloro- N-[2-ethyl-6-methyl-phenyl]- N-[2-methoxy-1-methylethyl] acetamide), and chlorpyrifos ( O-O diethyl O-[3,5,6-trichloro-2-pyridinyl] phosphorothioate)-i...
journal_title:Archives of environmental contamination and toxicology
pub_type: 杂志文章
doi:10.1007/s00244-002-1259-3
更新日期:2003-01-01 00:00:00
abstract::Despite safety protocols, crude oil extraction and transportation in the Amazon basin has a potential for inadvertent oil spills, which can impact aquatic organisms in local rivers. The objective of this study was to assess the effects of crude oil on juvenile Amazonian fish tambaqui, Colossoma macropomum, at various ...
journal_title:Archives of environmental contamination and toxicology
pub_type: 杂志文章
doi:10.1007/s00244-013-9894-4
更新日期:2013-08-01 00:00:00