Abstract:
:We investigate the use of probabilistic neural networks (PNN) to model the acute toxicity (96-hr LC50) to the fathead minnow (Pimephales promelas) based on a 865 chemicals data set. In contrast to most other toxicological models, the octanol/water partition coefficient is not used as input parameter. The information fed into the neural network is solely based on simple molecular descriptors as can be derived from the chemicals' structures and indicates the potential of this approach as general methodology for the estimation of toxicological effects of chemicals.
journal_name
Chemospherejournal_title
Chemosphereauthors
Kaiser KL,Niculescu SPdoi
10.1016/s0045-6535(99)00553-6subject
Has Abstractpub_date
1999-06-01 00:00:00pages
3237-45issue
14eissn
0045-6535issn
1879-1298pii
S0045653599005536journal_volume
38pub_type
杂志文章相关文献
CHEMOSPHERE文献大全abstract::Open burning of PVC-coated cables is a major source of polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/F). In the present study, the formation characteristics of PCDD/F from burning of PVC-based samples with and without metallic copper were evaluated over the dioxin formation temperature window (200-500 °C)....
journal_title:Chemosphere
pub_type: 杂志文章
doi:10.1016/j.chemosphere.2020.128542
更新日期:2021-02-01 00:00:00
abstract::The speciation of Al3+ in aqueous solutions containing organic and inorganic ligands important from a biological (citrate (Cit3-), gluconate (Gluc-), lactate (Lac-), silicate (H2SiO42-), carbonate (CO32-), fluoride (F-)) and industrial (Gantrez®; polymethyl-vinyl-ether-co-maleic acids; GTZ S95 and GTZ AN169) point of ...
journal_title:Chemosphere
pub_type: 杂志文章
doi:10.1016/j.chemosphere.2017.08.015
更新日期:2017-11-01 00:00:00
abstract::Foliar emission of volatile organic compounds (VOC) from common Indian plant species was measured. Dynamic flow enclosure technique was used and the gas samples were collected onto Tenax-GC/Carboseive cartridges. The Tenax-GC/Carboseive cartridges were attached to the thermal disorber sample injection system and the g...
journal_title:Chemosphere
pub_type: 杂志文章
doi:10.1016/j.chemosphere.2005.01.046
更新日期:2005-06-01 00:00:00
abstract::In this study, the degradation of ciprofloxacin (CIP) was explored using ultraviolet activated persulfate (UV/PS) with 280 nm ultraviolet light-emitting diodes (UV-LEDs), and the toxicological assessment of degrading intermediates was performed using iTRAQ labeling quantitative proteomic technology. The quantitative m...
journal_title:Chemosphere
pub_type: 杂志文章
doi:10.1016/j.chemosphere.2016.09.031
更新日期:2016-12-01 00:00:00
abstract::The chiral separation of haloxyfop enantiomers was first performed on (R, R) Whelk-O1 chiral column (pirkle type) by high-performance liquid chromatography (HPLC). Chromatographic conditions such as mobile phase composition and column temperature were optimized, and the best resolution was obtained using hexane/n-prop...
journal_title:Chemosphere
pub_type: 杂志文章
doi:10.1016/j.chemosphere.2014.06.065
更新日期:2015-01-01 00:00:00
abstract::The first national-scale assessment of chromium (Cr) contamination in China's agricultural soils was performed based on 1625 sites analysed with 1799 previously published papers. Spatial and temporal variations were assessed, and the ecological risk was estimated. The range of Cr concentrations in farmland soil is 1.4...
journal_title:Chemosphere
pub_type: 杂志文章,评审
doi:10.1016/j.chemosphere.2020.127036
更新日期:2020-10-01 00:00:00
abstract::Titanium dioxide-mediated photodegradation of Polychlorinated biphenyls (PCBs) in soil/aqueous systems with added fluorinated surfactant was investigated. PCBs can bind tightly to organic matter in the soil, especially in aged, contaminated soil. Experiments showed an effective PCB photocatalytic degradation in mixed ...
journal_title:Chemosphere
pub_type: 杂志文章
doi:10.1016/s0045-6535(99)00492-0
更新日期:2000-09-01 00:00:00
abstract::In this paper, a pulsed high voltage discharge (PHVD) reactor composed of a new type of high-voltage (HV) needle electrode and mesh grounding electrode was utilized to degrade 4-chlorophenol (4-CP). The effect of needle installation position on 4-CP degradation efficiency in solution systems with different conductivit...
journal_title:Chemosphere
pub_type: 杂志文章
doi:10.1016/j.chemosphere.2020.129203
更新日期:2021-03-01 00:00:00
abstract::Mine tailing from the El Teniente-Codelco copper mine situated in VI Region of Chile was analysed in order to evaluate the mobility and speciation of copper in the solid material. Mine tailing was sampled after the rougher flotation circuits, and the copper content was measured to 1150 mg kg (-1) dry matter. This tail...
journal_title:Chemosphere
pub_type: 杂志文章
doi:10.1016/j.chemosphere.2005.01.086
更新日期:2005-09-01 00:00:00
abstract::Ogale community in Rivers State, Nigeria is characterized by crude-oil contamination of its land resources. The present study aimed to evaluate the health risk and metal (Cd, Pb, Zn, Cr, and Ni) contamination level of the vegetable (Telfairia occidentalis), snail (Achatina achatina) and the catfish (Clarias gariepinus...
journal_title:Chemosphere
pub_type: 杂志文章
doi:10.1016/j.chemosphere.2017.07.024
更新日期:2017-10-01 00:00:00
abstract::Concentrations of degradation products of nonylphenol polyethoxylates (NPEOs) were analyzed in river water samples in order to determine the distribution characteristic of these alkylphenolic compounds in 18 major rivers of Taiwan. The degradation products of NPEOs were detected in all river samples, with the dicarbox...
journal_title:Chemosphere
pub_type: 杂志文章
doi:10.1016/j.chemosphere.2006.05.028
更新日期:2006-12-01 00:00:00
abstract::Physical conditioners, often known as skeleton builders, are commonly used to improve the dewaterability of sewage sludge. This study evaluated a novel joint usage of Fenton's reagent and skeleton builders, referred to as the F-S inorganic composite conditioner, focusing on their efficacies and the optimization of the...
journal_title:Chemosphere
pub_type: 杂志文章
doi:10.1016/j.chemosphere.2012.02.084
更新日期:2012-06-01 00:00:00
abstract::It is well known that serum is an ideal and potential choice to reflect the toxicity of fluoride. However, the effects of fluoride on serum metabolome have not been reported until now. In this study, the models of 3-week-old rats exposed fluoride by breast milk and 11-week-old rats exposed fluoride via breast milk and...
journal_title:Chemosphere
pub_type: 杂志文章
doi:10.1016/j.chemosphere.2020.127387
更新日期:2020-11-01 00:00:00
abstract::Partition coefficients between polyurethane foam (PUF) and air (KPUF-Air) are important when using PUF as a passive air sampler for semi-volatile organic compounds (SVOCs) and when considering the fate of SVOCs indoors where PUF is a common material. Here, KPUF-Air for selected SVOCs was estimated using published meth...
journal_title:Chemosphere
pub_type: 杂志文章
doi:10.1016/j.chemosphere.2016.10.001
更新日期:2017-02-01 00:00:00
abstract::To investigate the regional cycle of aerosols and their ionic constituents, three field intensive campaigns were conducted during fall and winter of 1997 and spring of 1998. The concentrations of most ionic species were found to decrease significantly across fall, winter, and spring such that the sum for all cation (a...
journal_title:Chemosphere
pub_type: 杂志文章
doi:10.1016/s0045-6535(02)00098-x
更新日期:2002-07-01 00:00:00
abstract::Discharge of Cr(VI)-containing industrial effluents leads to the pollution of surface waters and ground waters. In this study, Cr(VI) was first reduced by Na2SO3 or FeSO4 and then biochar generated from peanut straw at 500 °C was used to remove the Cr(III). Results indicated that the reduction of Cr(VI) by Na2SO3 must...
journal_title:Chemosphere
pub_type: 杂志文章
doi:10.1016/j.chemosphere.2013.12.026
更新日期:2014-04-01 00:00:00
abstract::Phenol is degraded by biological treatment, however mineralization requires long time. To decrease the time and operational cost necessary for the mineralization of phenol, an optimum operation condition of the combined biological-photocatalytical treatment was investigated. The mineralization of phenol (50 mg l(-1)) ...
journal_title:Chemosphere
pub_type: 杂志文章
doi:10.1016/j.chemosphere.2006.07.059
更新日期:2006-12-01 00:00:00
abstract::The effect of dissolved humic acid (HA) on two types of hydrolysis reactions was investigated: (I) dehydrochlorination of gamma-hexachlorocyclohexane (HCH) and 1,1,2,2-tetrachloroethane (TeCA) as a reaction involving hydroxide ions (OH(-)) and (II) hydrolysis of 1-octyl acetate (OA) which is catalyzed by H(+) at the a...
journal_title:Chemosphere
pub_type: 杂志文章
doi:10.1016/j.chemosphere.2007.12.001
更新日期:2008-04-01 00:00:00
abstract::Fluoride generally exists in the natural environment, and has been reported to induce serious environmental hazard to animals, plants, and even humans via ecological cycle. Silkworm, Bombyx mori, which showed significant growth and reproductivity reduction when exposed to fluoride, has become a model to evaluate the t...
journal_title:Chemosphere
pub_type: 杂志文章
doi:10.1016/j.chemosphere.2020.127891
更新日期:2021-01-01 00:00:00
abstract::The experimental data on the bacterial reverse mutation test on C60 nanoparticles (TA100) is examined as an endpoint. By means of the optimal descriptors calculated with the Monte Carlo method a mathematical model of the endpoint has been built up. The model is the mathematical function of (i) dose (g/plate); (ii) met...
journal_title:Chemosphere
pub_type: 杂志文章
doi:10.1016/j.chemosphere.2013.10.079
更新日期:2014-06-01 00:00:00
abstract::Present studies facilitated testing the hypothesis that sediment fraction <20 μm contains different amounts of REEs. The potentially bioavailable rare earth elements (REEs) were determined in the following fractions of the surface sediments of the Vistula River: <5 μm, 5-10 μm, 10-20 μm, and total <20 μm. The attempt ...
journal_title:Chemosphere
pub_type: 杂志文章
doi:10.1016/j.chemosphere.2019.124442
更新日期:2019-12-01 00:00:00
abstract::Various mathematical relationships have been used to assess exposure concentrations of organic chemicals when emissions occur via wastewater treatment. These relationships range from a simple removal factor calculation to more sophisticated approaches using kinetic based mathematical models. While these existing appro...
journal_title:Chemosphere
pub_type: 杂志文章
doi:10.1016/s0045-6535(97)10198-9
更新日期:1998-04-01 00:00:00
abstract::Reversed-phase high-performance liquid chromatography (RP-HPLC) in both, isocratic and gradient elution mode (stationary phase: LiChrospher 100 RP-18; mobile phase: water/methanol or water/acetonitrile) was used for a renewed determination of octanol/water partition coefficients (Kow) of selected tetrachlorobenzyltolu...
journal_title:Chemosphere
pub_type: 杂志文章
doi:10.1016/s0045-6535(01)00068-6
更新日期:2001-11-01 00:00:00
abstract::Indoor dust is a very significant medium to understand human exposure of emerging contaminants. A novel and robust analytical method to measure the amounts of six personal care products (PCPs) (triclosan, bisphenol-A and four commonly used organic ultraviolet (UV) filters) simultaneously in indoor dust is developed in...
journal_title:Chemosphere
pub_type: 杂志文章
doi:10.1016/j.chemosphere.2017.06.033
更新日期:2017-10-01 00:00:00
abstract::The aim of the present study was to analyze and compare the efficacy of UV photodegradation with that of different advanced oxidation processes (O(3), UV/H(2)O(2), O(3)/activated carbon) in the degradation of naphthalenesulfonic acids from aqueous solution and to investigate the kinetics and the mechanism involved in ...
journal_title:Chemosphere
pub_type: 杂志文章
doi:10.1016/j.chemosphere.2007.03.050
更新日期:2007-08-01 00:00:00
abstract::Removal of slop oil, a by-product of oil refining, also obtained in cleaning up of oil tanks and filters is a difficult issue. High content of hydrocarbons (C3-C40) and other organic compounds makes this waste difficult to eliminate from the environment. The purpose of this investigation was to combine bacterial degra...
journal_title:Chemosphere
pub_type: 杂志文章
doi:10.1016/j.chemosphere.2020.126203
更新日期:2020-07-01 00:00:00
abstract::The surface complexation model was applied to simulate the competitive complexation of Ni, Ca and Al with humic substances. The presence of two types of binding sites in humic acid, carboxylic and phenolic functional groups, were assumed at both low and high pH conditions. Potentiometric titrations were used to charac...
journal_title:Chemosphere
pub_type: 杂志文章
doi:10.1016/j.chemosphere.2004.10.017
更新日期:2005-03-01 00:00:00
abstract::The ultraviolet spectra and electron transition information of 209 polybrominated diphenyl ethers (PBDEs) in gas were first calculated via time-dependent density functional theory using Gaussian 09 software. The main and second-order interactional effects of substituent characteristics on the photodegradation of PBDEs...
journal_title:Chemosphere
pub_type: 杂志文章
doi:10.1016/j.chemosphere.2017.07.063
更新日期:2017-10-01 00:00:00
abstract::Abandoned mining and quarry areas are sources of potentially toxic elements (PTEs), through lixiviates or transfer processes of bioavailable fractions from mining wastes and tailings. In this study, earthworms (Eisenia fetida Savigny, 1826) were exposed for 28 days to two mining soils from a lead/zinc mine and two qua...
journal_title:Chemosphere
pub_type: 杂志文章
doi:10.1016/j.chemosphere.2020.126421
更新日期:2020-07-01 00:00:00
abstract::Pharmaceuticals as environmental contaminants have received a lot of interest over the past decade but, for several pharmaceuticals, relatively little is known about their occurrence in European surface waters. Benzodiazepines, a class of pharmaceuticals with anxiolytic properties, have received interest due to their ...
journal_title:Chemosphere
pub_type: 杂志文章
doi:10.1016/j.chemosphere.2017.02.126
更新日期:2017-06-01 00:00:00