69 results about "Toxicity data" patented technology

The invention discloses a method for determining an ecological safety threshold of heavy metal in chemical engineering areas. The method comprises the following steps: A1, collecting biological toxicity data; A2, screening the collected biological toxicity data according to the preset screening strategy; A3, determining whether the screened biological toxicity data quantity meets a preset data amount threshold; if it is, implementing step A4; and otherwise, supplementing biological toxicity data through the ecotoxicological test, and then implementing the step A4; and A4, based on the screened biological toxicity data, or screened toxicity data and biological toxicity data supplemented by ecotoxicological test, determining the ecological safety threshold of soil heavy metal in the chemical engineering area. The method of the invention can effectively evaluate the soil ecological risk caused by heavy metal pollutants.

The invention discloses a method for forecasting the acute toxicity of organic compounds by building a quantitative structure-activity relationship model with a quantum chemistry method. The method fully geometrically optimizes compound structures by using a Gaussian procedure so as to obtain quantum chemistry parameters including molecular volume, relative molecular mass, highest occupied molecular orbital energy, lowest unoccupied molecular orbital energy, energy gaps of frontier molecular orbital, dipole moment, solvation energy, electron energy and the like; using the quantum chemistry parameters and a hydrophobicity parameter as structural descriptors; in combination with toxicity data, quantitative relationship equations between various structural descriptors and toxicity are established according to a written procedure based on partial least square stepwise linear regression to obtain the multiple correlation coefficient, F-test value and sum of squared residuals, and then the model is verified so as to guarantee the external predictive ability. Therefore, the method can quickly and effectively forecast the toxicity of organic compounds to be studied, and provide necessary basic data for risk assessment and supervision of chemicals.

The invention relates to a method for predicting compound carcinogenic toxicity based on complex sampling and an improved decision forest algorithm. The method is suitable for calculating carcinogenic toxicity evaluation and virtual selection on a compound according to an organic small molecular structure, and comprises the following steps: firstly, adopting a relative force field to molecules with the molecular structure to carry out optimization and charge calculation, carrying out complex sampling to the compound with centralized original training to be used for generating a training subset, and fixing various relative descriptors in composition calculation molecules of descriptors according to a complex sampling algorithm result; secondly, optimizing a descriptor pool by using a method based on relative matrix analysis and factor analysis; and finally, carrying out data mining on carcinogenic toxicity data and corresponding chemical characteristics thereof of training set molecules by using the improved decision forest method to obtain a classified prediction confidence interval, a carcinogenic toxicity prediction mold and a judgment rule. The method has favorable application prospect in high throughput virtual selection and calculating the carcinogenic toxicity evaluation.

A method for determining ecological risk, particularly a method for the ecological risk assessment of a heavy metal in a river basin sediment based on a toxicity effect. The assessment method includes screening the main aquatic organisms in a river basin; sampling a sediment, and determining and detecting the heavy metal type; measuring the concentration of the heavy metal in the sediment; collecting the heavy metal release coefficient; collecting the heavy metal toxicity data and fitting the data; determining the heavy metal HC_sⁱ value according to a fitting equation; calculating the heavy metal toxicity response coefficient; calculating the ecological risk index of the heavy metal. This method can further include calculating the comprehensive ecological risk index of various types of heavy metals. The method can accurately reflect the ecological risk of a heavy metal on aquatic organisms in a river basin.

The invention discloses a method for screening a water quality criteria testing organism. The method comprises the following steps of: 1, determining a local representative aquatic organism; 2, collecting and screening species toxicity data, and determining a pollutant with the highest toxicity; 3, collecting and screening the toxicity data of the pollutant, and sequencing the species sensitivity of the pollutant; 4, determining the water quality criteria testing organism. By adopting the method, the water quality criteria testing organism can be quickly determined, and the support is provided for national water environment protection and water quality criteria study.

The invention discloses a determination method for ecological risks of a polycyclic aromatic hydrocarbon in a water body and belongs to the field of determination of ecological risks. The determination method comprises the following steps: (1) representative species of a water ecological system in a region are screened; (2) toxicity data of benzoapyrene is obtained; (3) benzoapyrene concentration values HC5 of 95% of species of the water ecological system are calculated; (4) the varieties of polycyclic aromatic hydrocarbon pollutants and corresponding environmental concentrations are determined by sampling and concentration distribution characteristics of various polycyclic aromatic hydrocarbons are analyzed; (5) ecological risk quotient values RQi of the specific polycyclic aromatic hydrocarbon pollutants are calculated; and (6) a total ecological risk quotient value RQt is calculated and the specific ecological risks are defined. According to the determination method, whether potential risks of the polycyclic aromatic hydrocarbon pollutants can be accepted or not can be analyzed and whether the total level of the ecological risks of the water body needs to be controlled or not can be judged so that scientific evidences and the like is provided for making protection measures for the water ecological system and making control measures for polycyclic aromatic hydrocarbon pollution.

The invention discloses a method for identifying ecological risks of pesticides in water body, and belongs to the field of ecological risk identification. The method comprises the following steps: determining the types of the pesticides in the water body; screening representative biological species in an aquatic ecosystem; acquiring toxicity data of the pesticides in an area to be identified; andcalculating a concentration value HC5 for protecting 95 percent of the species in the aquatic ecosystem by a probability risk assessment method; calculating risk quotients of various pesticides and performing risk prioritizing; applying the toxicity data to the probability risk assessment method to calculate the total level of the ecological risks of the pesticides in the area to be identified; and identifying according to a result. The method combines the conventional risk quotient method and probability risk assessment method, and realizes the quantification of the total level of the ecological risks of the pesticides in the water body by screening the representative biological species in the aquatic ecosystem and utilizing less toxicity data so as to provide decisive basis for protecting the aquatic ecosystem.

The ability to rapidly generate concentration gradients of diffusible molecules has important applications in many chemical and biological studies. The present invention is directed to methods and systems for generating spatially and temporally controllable concentration gradients of molecules (i.e. proteins or toxins) in a portable microfluidic device. The formation of the concentration gradients can be initiated by an induced forward flow and further optimized during an induced backward flow. The forward and backward flows can be either passively induced and/or actively pumped. The centimeter-length gradients along the microfluidic channel can be spatially and temporally controlled by the backward flow. The gradient profile was stabilized by stopping the flow. In one example, a stabilized concentration gradient of a cardiac toxin, Alpha-cypermethrin, generated according to the invention was used to test the response of HL-1 cardiac cells in the microfluidic device, which correlated with toxicity data obtained from multi-well plates. The invention can be useful for bio-logical and chemical processes that require rapid generation of concentration gradients in a portable microfluidic device.

The invention relates to a method for analyzing water toxicity, which comprises the following steps: a, introducing a tested water sample and diluents into an analysis flow path, and adjusting the flow ratio of the tested water sample and the diluents to obtain water samples of different dilutions; b, introducing test solution into the analysis flow path, and mixing the test solution and the water samples of different dilutions to obtain mixed solution; and c, testing and analyzing the signal of the mixed solution to acquire toxicity data corresponding to the water samples of different dilutions and determining the toxic characteristics of the tested water sample. The invention also provides a device for implementing the method. The method and the device can determine the toxic characteristics of the tested water sample comprehensively.

The invention belongs to the technical field of water quality protection, and particularly relates to a determining method for an aquatic organism protection water quality standard of a bioaccumulation substance. The method includes the following steps of collecting and screening toxicity data NOED; obtaining the optimal fitted equation through fitting; obtaining a reference value BTC based on tissue through the optimal fitted equation; obtaining an aquatic organism protection water quality criteria WQC of the bioaccumulation substance; obtaining predicted environment concentration PEC; determining the aquatic organism protection water quality standard WQS of the bioaccumulation substance. The aquatic organism protection water quality standard WQS of the bioaccumulation substance can be scientifically determined, the aquatic ecosystem of China can be protected more scientifically, and a new thought and method are provided for formulating the water quality standard in China.

The present method discloses a water sudden pollution accidental risk assessment method and apparatus. The method comprises: obtaining acute biotoxicity data of a targeted contaminant on all species, screening on the acute biotoxicity data according to a preset toxicity data regulation, and obtaining screened acute biotoxicity data; using screened acute biotoxicity data of all species, calculating a species average acute toxicity value of each species respectively; as for the species average acute toxicity value of a plurality of species corresponding to the targeted contaminant, sorting in an ascending order, and obtaining a sensitive sorting queue; and performing statistic on quantity of species average acute toxicity value contained in the sensitive sorting queue, performing risk grades dividing based on statistical quantity and a preset classified risk coefficient, and constructing a mapping relationship between a divided risk grade and a risk indicated aquatic organism. According to the method, risk assessment efficiency for the sudden water environmental pollution accident is improved.

The invention relates to a determination method for emergent environment event emergency disposal limit values and specifically discloses a nonparametric kernel density determination method for emergent environment event emergency disposal limit values. The method comprises following steps: step 1. toxicity data screening; step 2. Gauss kernel function window width selecting; step 3. Gauss kernel function calculating of toxicity data; step 4. nonparametric kernel density estimation and determination of the toxicity data of distribution of species sensitivity based on Gauss kernel function; step 5. model verifying; and step 6. environment concentration limit values determination. According to the method of the invention, the fitting method of distribution curves of species sensitivity is improved; due to the improvement, the distribution features of toxicity data can be well estimated unbiasedly and accurate environment concentration limit values can be obtained so as to realize standard determination in emergent environment event emergency disposal.

The invention belongs to the field of environment pollution detection technology and relates to a method of establishing a Hormesis dose-effect fitting model, namely a Bilogistic model. The method comprises the following steps: (1) analyzing the stability of a compound; (2) recovering and culturing strains; (3) conducting toxicity test including acute toxicity test and chronic toxicity test; (4) calculating the inhibition ratio of the compound analyzed in the step (1) to the strains recovered and cultured in the step (2) by applying the experiment result obtained in the step (3), and conducting toxicity representation by taking inhibition ratio as an index; and (5) fitting the toxicity data to obtain the Bilogistic model. The data fitting is more convenient through the model; parameters in the model are initialized simply; the model is established based on a receptor mechanism hypothesis, thereby having great biological significance; good fitting can be conducted under the condition of high stimulatory effect; the Hormesis effect can be effectively guided to the application in the drug design.

The invention relates to the gene toxicity probability preparation method based on the MEV and SVM which is proper for the dummy toxicity appraise and selection according to the organic compound molecule structure information. Firstly, it classifies the molecule structure based on the SMARTS and PATTY according to predefine rule; then to compute the atom descriptor (front track electron density, electron superdelocalizability and atom pi-charge) of every atom type according to the H¿˜ckel method and set the MEV to descript the electrophilicity; Last to statistic the gene toxicity data and MEV according to the SVM and get the posterior probability estimation of the molecule gene toxicity.

The invention discloses a system for water quality reference prediction of fresh water organisms, and the system comprises a water quality reference pollutant determining module, a data collection and screening module, a data evaluation module, a kind screening module, a water quality reference deducing module and a water quality reference checking module. The water quality reference deducing module comprises a toxicity data distribution verification module, a cumulative probability calculating module, a model fitting and evaluation module, a water quality reference extrapolation module and a water quality reference result description module. The model fitting and evaluation module employs a logistic distribution model, a normal distribution model or an extreme value distribution model for data fitting, obtains an SSD (species sensitivity distribution), and respectively evaluates the fitting degrees of the models according to the fitting goodness-of-fit evaluation parameters of the models. The water quality reference extrapolation module employs the concentration HC5 corresponding to the cumulative probability of 5% on the SSD curve to divide an evaluation factor, and determines a final fresh water organism water quality reference.

The invention discloses a medicine for treating poultry lice. The medicine contains the following raw materials in percentage by weight: 4% of C9-11 ethanol+8-mole ethylene oxide, 4.5% of quaternary amine compound or dimethyl benzyl ammonium chloride or chloride, 3% of didecyl dimethyl ammonium chloride, 0.9% of coconut imide oxime glycine ester, 1.5% of N-(3-aminopropyl)-N-dodecyl-1,3-propylenediamine, 0.8% of sodium carbonate, 0.02% of 1,2-benzisothiazole-3(2H)-ketone, 6% of N- methylglycine or N-methyl imino acetic acid or nitrilotriacetic acid trisodium salt, 0.3% of lavender flavor and 78.98% of water. The medicine disclosed by the invention has the advantages that the problem of the drug resistance of poultry red mites, related to of traditional acaricide, is overcome; compared withthe traditional acaricide, the medicine has safer toxicity data and is more friendly to environment; and the medicine is fast in effect and lasting in effect and has no adverse effect on poultry.

The invention discloses a high-throughput fish ecotoxicity test system. The system comprises experiment vessels, an experiment vessel placing device, mother liquid storage vessels, a sliding mechanical arm, a telescopic injector, a telescopic pipette, a data transmission port and a test parameter control platform, wherein the experiment vessel placing device is connected with the telescopic injector and the data transmission port separately; the mother liquid storage vessels are connected with the telescopic pipette; the sliding mechanical arm is connected with the telescopic injector, the telescopic pipette and the data transmission port separately; the data transmission port is also connected with the test parameter control platform. Through the adoption of the system, the output efficiency of ecotoxicological toxicity data can be improved.

The invention relates to an aquatic organism base value deriving method. The method comprises the following steps: selecting a species, screening toxicity data, calculating the cumulative probability, acquiring a base value, and carrying out nonlocal species utilization and later sample adding when the toxic data of the species is insufficient. The method effectively solves the non-randomness problem of the toxicity data, and also solves the problem brought by scarcity of the toxicity data of the local species in China.

The invention provides a method for obtaining a water quality standard of estuary aquatic organisms. The method comprises the following steps: firstly, obtaining priority control pollutants and commonpollutants in a scoring manner; after determination of contaminants, aiming at the pollutant screening estuary tested biological species, providing the tested species screening method suitable for the estuary region, and preliminarily determining the estuary water quality reference tested biological recommendation list according to the relationship between the sensitivity of different species andthe cumulative probability of main pollutants, wherein the list is different from the species in fresh water and seawater; after the tested biological species are determined, providing a toxicity data collection and screening principle suitable for the estuary environment of China; after toxicity data is obtained, adopting a species sensitivity distribution method to derive a reference thresholdvalue. Five models are adopted to be used for toxicity data fitting, corresponding evaluation criteria are provided, a model most suitable for the pollutant can be selected according to the evaluationcriteria, and therefore the more accurate reference threshold value is obtained.

A novel atmospheric pollution binary mixture health risk evaluation method comprises the following steps: obtaining atmospheric pollutant concentration from literature or actual environment monitoring, selecting pollutants with approximate concentration as binary mixed components to be evaluated, and converting the actual environment exposure concentration into in-vitro equivalent concentration; Obtaining transcriptome data of each pollutant and in-vitro biological test information of a specific path from a public database or literature, calculating a mixed effect value of the transcriptome data and the in-vitro biological test information, and correcting a relative efficacy factor and a combined toxicity action mode; Monte Carlo simulation is carried out on the equivalent concentration invitro of the pollutants, relative efficiency factors are coupled and corrected, and the health risk of the mixed pollutants is evaluated. The method is established on the basis of the environmental exposure concentration and the biological test data of the pollutant monomer, can evaluate the health risk of the pollutant monomer without depending on the mixture toxicity data, saves the manpower and material resource cost, and has a wide application prospect in the fields of practical environmental hybrid exposure health risk evaluation, environmental safety evaluation and the like.

The invention provides a regional protection aquatic organism water quality benchmark derivation method for optimally controlling heavy metal pollutant chromium, which comprises the following steps: collecting and screening toxicity data, screening tested species, importing the screened toxicity data into China-WQC, carrying out model fitting by taking lgSMAV as an abscissa and cumulative probability as an ordinate, determining an optimal fitting model according to a determination coefficient r2, a root mean square RMSE, a residual sum of squares SSE and a K-S test result of model fitting, obtaining a 5% species hazard concentration HC5, selecting an evaluation factor 2, and determining a short-term reference value CMC and a long-term reference value CCC of the fresh water aquatic organisms in combination with a corresponding acute-chronic ratio. According to the method, the difference of water quality standards under different biological zones is fully considered in the derivation process, the national conditions and water environment management criteria of China are better met, and over-protection and under-protection can be effectively avoided. A reference can be provided for deriving a regional heavy metal protection aquatic organism water quality standard.

The embodiment of the invention discloses a method and a device for screening basin water environment risk substances. The method comprises the following steps: obtaining the exposure concentration ofeach pollutant in a target watershed water environment, and comparing the exposure concentration with an environmental safety threshold; obtaining the exposure concentration of the target pollutant greater than an environmental safety threshold value, constructing a cumulative probability distribution curve based on the exposure concentration of the target pollutant, and calculating the probability that the exposure concentration of the target pollutant exceeds the environmental safety threshold value based on the cumulative probability distribution curve; if the probability is greater than the probability threshold value, quantifying the environmental risk of the target pollutant according to preset software based on the pre-acquired aquatic organism toxicity data of the target pollutantand the exposure concentration of the target pollutant, and obtaining the expected environmental risk of the target pollutant based on the quantified environmental risk; and if the expected environmental risk is greater than a preset first expected environmental risk threshold, determining that the target pollutant is a potential environmental risk substance. By applying the method, the screeningefficiency of environmental risk pollutants can be improved.