Toxicological Review最新文献

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Scientific substantiation of the national list of chemicals affecting the endocrine system 影响内分泌系统的国家化学物质清单的科学依据
Toxicological Review Pub Date : 2022-04-30 DOI: 10.47470/0869-7922-2022-30-2-108-114
Khalidya Khizbulaevna Khamidulina, E. Tarasova, I. V. Zamkova, E. V. Dorofeeva, I. N. Araslanov, Yuliya Yurevna Aniskova, A. S. Proskurina, D. N. Rabikova, Michail Leonidovich Lastovetskiy, Andrey Konstantinovich Nazarenko
{"title":"Scientific substantiation of the national list of chemicals affecting the endocrine system","authors":"Khalidya Khizbulaevna Khamidulina, E. Tarasova, I. V. Zamkova, E. V. Dorofeeva, I. N. Araslanov, Yuliya Yurevna Aniskova, A. S. Proskurina, D. N. Rabikova, Michail Leonidovich Lastovetskiy, Andrey Konstantinovich Nazarenko","doi":"10.47470/0869-7922-2022-30-2-108-114","DOIUrl":"https://doi.org/10.47470/0869-7922-2022-30-2-108-114","url":null,"abstract":"Introduction. Today in the world, along with mutagens, carcinogens, reprotoxicants, chemicals that affect the endocrine system are of serious concern. Therefore, the purpose of our research was the scientific substantiation of the national list of endocrine disruptors. Materials and methods. In order to create a national list of substances that have an effect on the endocrine system, for the selection of candidate substances, an analysis of legislation and lists of potential endocrine disruptors of the European Union, the USA, Canada, and India was made. All substances were identified by CAS numbers, areas of application and classified according to the degree of danger to the endocrine system. Results. The draft list of endocrine disruptors circulating in the Russian Federation includes 494 chemicals used in medicine, agriculture, chemical, food, perfume and cosmetic industries. There are 19 substances in class 1A (known endocrine disruptor), 193 substances in class 1B (probable endocrine disruptor), 250 substances in class 2 (suspected endocrine disruptors), and 32 substances in class 3 (endocrine disruptors). Conclusion. On the territory of the Russian Federation in various areas of the economy, chemicals that destroy the endocrine system are widely used. Of particular concern is the use of endocrine disruptors of hazard class 1B in perfumery, cosmetics and food products.","PeriodicalId":23128,"journal":{"name":"Toxicological Review","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89588141","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Effect of subchronic use of sodium nitrite on the functional parameters of an isolated rat heart 亚硝酸钠对离体大鼠心脏功能参数的影响
Toxicological Review Pub Date : 2022-04-30 DOI: 10.47470/0869-7922-2022-30-2-102-107
D. S. Laptev, S. Petunov, O. V. Nechaykina, Dmitriy Vladimirovich Bobkov
{"title":"Effect of subchronic use of sodium nitrite on the functional parameters of an isolated rat heart","authors":"D. S. Laptev, S. Petunov, O. V. Nechaykina, Dmitriy Vladimirovich Bobkov","doi":"10.47470/0869-7922-2022-30-2-102-107","DOIUrl":"https://doi.org/10.47470/0869-7922-2022-30-2-102-107","url":null,"abstract":"Introduction. The active development of agriculture with the widespread use of nitrogen-containing fertilizers, increased consumption of processed meat products containing sodium nitrite as a preservative, inevitably leads to an increase in the nitrogen load on the human body and can cause the development of cardiovascular diseases. Materials and methods. The cardiotoxic effect of sodium nitrite was evaluated on a model of an isolated rat heart with subchronic intragastric administration for 28 days at doses of 0.03; 0.3; 3.0 mg/kg. Results. The use of sodium nitrite leads to dilation of the coronary vessels and myocardium, inhibition of the contractile activity of the heart, disruption of its electrical activity in the form of a shortening of the QT interval associated with an increased risk of ventricular fibrillation, and a tendency to increase the amplitude of the T wave, which indicates myocardial ischemia. In a stress test with total ischemia, it was revealed that the magnitude of the change in the parameters characterizing the restoration of myocardial function under reperfusion conditions is inversely proportional to the dose of sodium nitrite used. Limitations. The study was performed only on male white rats more prone to the development of cardiovascular pathology. Conclusion. With subchronic administration, sodium nitrite has cardiotoxicity at a dose of 0.028 mg/kg, which is twice lower than the WHO-established permissible daily intake for humans (0.06 mg/kg).","PeriodicalId":23128,"journal":{"name":"Toxicological Review","volume":"35 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81987623","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Distribution of amanitine-containing macromycetes in the territory of Russia 俄罗斯境内含氨基酸的大型菌的分布
Toxicological Review Pub Date : 2022-04-30 DOI: 10.47470/0869-7922-2022-30-2-85-93
A. A. Khovpachev, L. Kalinina, S. Bolshakov, S. Volobuev, I. Ivanov, M. Yudin, V. Basharin, S. V. Chepur
{"title":"Distribution of amanitine-containing macromycetes in the territory of Russia","authors":"A. A. Khovpachev, L. Kalinina, S. Bolshakov, S. Volobuev, I. Ivanov, M. Yudin, V. Basharin, S. V. Chepur","doi":"10.47470/0869-7922-2022-30-2-85-93","DOIUrl":"https://doi.org/10.47470/0869-7922-2022-30-2-85-93","url":null,"abstract":"Introduction. The toxic effect of amanitin-containing macromycetes, or phalloidin syndrome, is accompanied by low patient survival and it remains as one of the leading causes of urgent liver transplantation. As a result, the problems of biodiversity and the distribution of amanitin-containing fungi leading to this condition appear in a relevant light for toxicology. Materials and methods. The study was carried out in two stages. At the first stage, a preliminary list of amanitin-containing macromycetes was compiled by means of a system search in the PubMed database. At the second stage of the study, the presence and occurrence of amanitin-containing taxa in Russia were analyzed. Results. Based on the literature sources and data of the Laboratory of Geography and Systematics of Fungi of the Komarov Botanical Institute of the Russian Academy of Sciences, maps of the administrative-territorial occurrences in Russia of twenty-one species of amanitin-containing macromycetes were compiled: five of Amanita, one of Galerina and fifteen of Lepiota. The species concepts of some poisonous taxa and their key identification features were reviewed. The debatable ideas about the toxicity of two Conocybe species are highlighted. Limitations. The study takes into account only the specific occurrence of poisonous fungi in various territories of Russia, without considering the density and frequency of their growth, which may make it difficult to assess the relationship between the data presented and the likelihood of poisoning by the species in question in individual administrative units. Conclusion. As a result of the study, the boundaries of the distribution of poisonous fly agaric and Galerina species were identified, as well as the territories with the highest registered diversity of Lepiota: the Moscow Region and the Primorsky Territory.","PeriodicalId":23128,"journal":{"name":"Toxicological Review","volume":"26 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88755744","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
On the results of the webinar "Strengthening the capacity for life cycle management of chemicals under the Rotterdam Convention" 关于“加强《鹿特丹公约》下化学品生命周期管理能力”网络研讨会的成果
Toxicological Review Pub Date : 2022-04-30 DOI: 10.47470/0869-7922-2022-30-2-128-129
{"title":"On the results of the webinar \"Strengthening the capacity for life cycle management of chemicals under the Rotterdam Convention\"","authors":"","doi":"10.47470/0869-7922-2022-30-2-128-129","DOIUrl":"https://doi.org/10.47470/0869-7922-2022-30-2-128-129","url":null,"abstract":"","PeriodicalId":23128,"journal":{"name":"Toxicological Review","volume":"248 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78838771","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Toxic effect of the titanium dioxide rutile form on the morphological characteristics of the immune system organs 二氧化钛金红石形态对免疫系统器官形态特征的毒性作用
Toxicological Review Pub Date : 2022-04-30 DOI: 10.47470/0869-7922-2021-30-2-115-121
L. Sharafutdinova
{"title":"Toxic effect of the titanium dioxide rutile form on the morphological characteristics of the immune system organs","authors":"L. Sharafutdinova","doi":"10.47470/0869-7922-2021-30-2-115-121","DOIUrl":"https://doi.org/10.47470/0869-7922-2021-30-2-115-121","url":null,"abstract":"The aim. To study the effect of the rutile form of titanium dioxide upon its oral administration on the morphological and functional state of the organs of the immune system of rats. Materials and methods. In this work, using classical morphological approaches and specific markers: proliferation - Ki-67, PCNA, apoptosis - protein p53 and macrophages - CD68, which make it possible to adequately identify not only the cells themselves, but also their functional state, a study of the spleen and thymus of rats after oral administration (10 mg/kg animal body weight, 28 days) of a nanodispersed form of TiO2 (rutile form, 40-60 nm) obtained by diluting TiO2 powder in distilled water was carried out. Aggregation of nanoparticles was prevented by treatment of a suspension of nanodispersed TiO2 in an ultrasonic bath. Rats of the control group were orally administered with distilled water in the same volume. Results. With oral administration of the rutile form of nanodispersed TiO2, a moderate accidental involution of the thymus is observed, a reduction in the white pulp of the spleen, due to a decrease in the proliferative potential and an increase in apoptosis. The revealed morphofunctional changes in lymphoid organs can be interpreted from the standpoint of induced secondary immunodeficiency that develops against the background of exposure to rutile TiO2 NPs. Limitations. When studying the effect of titanium dioxide (rutile, 40-60 nm, 10 mg/kg of animal body weight) on the morphological characteristics of the immune defense organs, the sample size was 12 Wistar rats, the maximum duration of exposure was 28 days. Conclusion. The detected morphofunctional changes in the lymphoid organs can be interpreted from the position of induced secondary immunodeficiency, developing against the background of exposure to NPS TiO2 of the rutile modification.","PeriodicalId":23128,"journal":{"name":"Toxicological Review","volume":"34 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73872443","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Criteria of reversibility of suppression of bioelectric activity of the brain in alcoholic coma: experimental study 酒精性昏迷中脑生物电活性抑制可逆性的标准:实验研究
Toxicological Review Pub Date : 2022-04-30 DOI: 10.47470/0869-7922-2022-30-2-94-101
I. Kostenko, M. B. Ivanov, Tatiana Viktorovna Alexandrova, A. B. Verveda, A. V. Shults, B. S. Litvincev, M. Alexandrov
{"title":"Criteria of reversibility of suppression of bioelectric activity of the brain in alcoholic coma: experimental study","authors":"I. Kostenko, M. B. Ivanov, Tatiana Viktorovna Alexandrova, A. B. Verveda, A. V. Shults, B. S. Litvincev, M. Alexandrov","doi":"10.47470/0869-7922-2022-30-2-94-101","DOIUrl":"https://doi.org/10.47470/0869-7922-2022-30-2-94-101","url":null,"abstract":"The aim. The aim of the study is to determine prognostically significant criteria for the reversibility of the suppression of the generation of bioelectrical activity using an experimental model of alcoholic coma. Materials and methods. The work was performed on 27 nonlinear sexually mature rats weighing 340±40 g, which received a 40% solution of ethyl alcohol by the oral route in fractional doses of 12.6 g/kg, which corresponded to LD50. EEG monitoring was performed until there was a definite effect (from 1 to 54 hours). Results. In a favorable outcome of alcoholic coma (11 rats), the EEG results contained the following phase states: 1) a pattern of continuous activity with registration of flashes with intense modulation amplitudes (modulation coefficient 10-12, index 25-35%); 2) a pattern of discrete activity (signal suppression index does not exceed 10%), which was recorded only in the toxicogenic phase; 3) a pattern of awakening. In the lethal outcome of cerebral insufficiency (16 rats), there were the following states of bioelectric activity: 1) weakly modulated continuous activity (modulation coefficient is less than 5); 2) fragmented activity (suppression index is 20-50%); 3) “flash-suppression” pattern; 4) a pattern of periodic discharges; 5) isoelectric silence. The terminal phase of cerebral insufficiency was characterized by the presence of high-amplitude waves with a frequency of 1-1.5 Hz, alternating with 3-4 oscillations decreasing in amplitude. Conclusion. In a case of acute poisoning with ethanol at a dose of LD50, the prognostically favorable EEG sign is the amplitude modulation of continuous activity, which reflects the preservation of synchronizing thalamocortical interactions. In the toxicogenic phase of the poisoning, a pattern of discrete activity can be recorded (modulation index is up to 10%), which reflects the suppressive effect of ethanol rather than the decay of the bioelectrogenesis mechanisms.","PeriodicalId":23128,"journal":{"name":"Toxicological Review","volume":"256 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"91529677","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Threshold limit values of the antiviral drug interferon inducer amixin in the air of the working area and in the atmospheric air of urban and rural settlements 工作区域空气及城乡住区空气中抗病毒药物干扰素诱导剂氨苄素的阈值
Toxicological Review Pub Date : 2022-04-30 DOI: 10.47470/0869-7922-2022-30-2-122-127
M. I. Golubeva, M. V. Bidevkina, I. A. Bobrineva, E. A. Fedorova
{"title":"Threshold limit values of the antiviral drug interferon inducer amixin in the air of the working area and in the atmospheric air of urban and rural settlements","authors":"M. I. Golubeva, M. V. Bidevkina, I. A. Bobrineva, E. A. Fedorova","doi":"10.47470/0869-7922-2022-30-2-122-127","DOIUrl":"https://doi.org/10.47470/0869-7922-2022-30-2-122-127","url":null,"abstract":"Introduction. Amiksin (tiloron) is a low molecular weight inducer of interferon, antiviral and immunomodulatory agent, used for the treatment and prevention of viral diseases, shown the effectiveness of including amixin in the complex therapy of SARS-CoV-2 infection (COVID-19) mild and moderate severity. Materials and methods. Experimental studies to determine the parameters of amixin toxicometry were carried out using mice, rats, rabbits and guinea pigs. The substance was administered into the stomach, intraperitoneally, into the conjunctival sac of the eye, on the skin, intradermal and inhalation. Results. It is shown that amixin belongs to the 3rd hazard class (moderately hazardous substances) when injected into the stomach according to GOST 12.1.007-76: DL50 for male mice - 500 mg/kg, for female mice - 760 mg/kg; low toxicity when injected into the abdominal cavity, DL50 for male mice - 150 mg/kg. Amiksin has a weak irritant effect on the mucous membranes of the eyes, does not irritate the skin, has a skin-resorptive effect and functional cumulative activity. The threshold for acute inhalation exposure to amixin is set at 16,2 mg/m3 according to the effect on the functional state of the liver and kidneys. Limitations. When developing and substantiating the hygienic standards for amixin in the air, various ways of the substance entering the body of several animal species in representative groups were studied. Conclusion. For amixin aerosol, hygienic standards have been approved - 0,4 mg/m3 in the air of the working area and 0,01 mg/m3 in the atmospheric air.","PeriodicalId":23128,"journal":{"name":"Toxicological Review","volume":"29 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89334244","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Review of analytical methods for lead determination in paints and varnishes 涂料和清漆中铅测定分析方法综述
Toxicological Review Pub Date : 2022-02-28 DOI: 10.47470/0869-7922-2022-30-1-55-63
E. Tarasova, Khalidya Khizbulaevna Khamidulina, Andrey Konstantinovich Nazarenko
{"title":"Review of analytical methods for lead determination in paints and varnishes","authors":"E. Tarasova, Khalidya Khizbulaevna Khamidulina, Andrey Konstantinovich Nazarenko","doi":"10.47470/0869-7922-2022-30-1-55-63","DOIUrl":"https://doi.org/10.47470/0869-7922-2022-30-1-55-63","url":null,"abstract":"Introduction. The draft Technical Regulation of the Eurasian Economic Union “On the Safety of Paint and Varnish Materials” establishes the lead content in paint and varnish materials for interior and exterior surfaces of residential and (or) public premises, furniture products, playgrounds, products for children and adolescents, attractions, products in contact with food, and used for water treatment equipment at a level not exceeding 0,009% of the total weight of non-volatile chemicals with a transition period of 60 months. Current GOST R 50279.10-92 (ISO 6503-84) (GOST R 50279.10-92 (ISO 6503-84). Paints and varnishes. Methods for determination of metal content. Determination of total lead content. Flame atomic absorption spectrometry method) and GOST R 50279.3-92 (ISO 3856/1-84) (GOST R 50279.3-92 (ISO 3856/1-84). Paints and varnishes. Methods for determination of metal content. Determination of “dissolved” lead content. Flame atomic absorption spectrometry and dithizone spectrophotometric method) with detection limits of lead at 0,01% (by weight) do not provide the required sensitivity, and therefore it becomes necessary to develop and approve in accordance with the established procedure an analytical method for lead determination in paint and varnish materials at the level of 0,0045% of the total weight of non-volatile chemicals (1/2 of the established standard). Materials and methods. Documents, guidelines and webinars of the Eurasian Economic Union, the World Health Organization, the United Nations Environment Program, the American Society for Testing and Materials (ASTM International), the International Organization for Standardization (ISO), the US Environmental Protection Agency (EPA), manufacturers of analytical equipment (26 sources in total) were used in the preparation of the review. Results and discussions. The review presents the most common methods for lead determination in paints and varnishes, indicating their characteristics, advantages and limitations: flame atomic absorption spectrometry; atomic absorption spectrometry with electrothermal atomization; atomic emission spectrometry with inductively coupled plasma; X-ray fluorescence spectrometry. Conclusion. A systematic analysis of the methods for lead determination in paints and varnishes existing in domestic and foreign practice, taking into account the lower detection limit, as well as the costs of consumables and equipment maintenance, allows to identify three methods that are of interest in terms of developing guidelines: atomic absorption spectrometry with electrothermal atomization; atomic emission spectrometry with inductively coupled plasma; high-resolution X-ray fluorescence spectrometry.","PeriodicalId":23128,"journal":{"name":"Toxicological Review","volume":"13 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-02-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73993551","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Respirator cartridge change schedule (literature review) 呼吸器药筒更换时间表(文献回顾)
Toxicological Review Pub Date : 2022-02-28 DOI: 10.47470/0869-7922-2022-30-1-38-44
V. Kaptsov, V. Pankova, A. V. Chirkin
{"title":"Respirator cartridge change schedule (literature review)","authors":"V. Kaptsov, V. Pankova, A. V. Chirkin","doi":"10.47470/0869-7922-2022-30-1-38-44","DOIUrl":"https://doi.org/10.47470/0869-7922-2022-30-1-38-44","url":null,"abstract":"Introduction. A necessary condition for protecting an employee from gases with the help of filtering personal respiratory protection equipment (PPE) is the timely replacement of filters. Previously, the reaction of the sense organs to the ingress of gas into the mask was used for this. Due to unreliability, this method has been completely banned in all developed countries, since filter life is estimated under the worst expected conditions for scheduling filter replacement. Materials and methods. We prepared the article using publications NIOSH, OSHA, Taylor & Francis, Springer, Journal of the ISRP, legal requirements of developed countries for the use of respirators, and other available publications. Results. The article describes problems and ways to solve them during scheduling, using mathematical modeling of the service life (single use of the filter), taking into account its advantages and disadvantages and problems in assessing the safety of reuse of cartridges. Conclusion. The article contains an analysis of the sources of risk for workers using gas masks in Russian Federation; recommendations for its reduction are given.","PeriodicalId":23128,"journal":{"name":"Toxicological Review","volume":"23 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-02-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78130343","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Application of the OECD QSAR Toolbox software for calculating the parameters of acute aquatic toxicity of chemicals 应用OECD QSAR工具箱软件计算化学品急性水生毒性参数
Toxicological Review Pub Date : 2022-02-28 DOI: 10.47470/0869-7922-2022-30-1-45-54
Khalidya Khizbulaevna Khamidulina, E. Tarasova, Mikhail Leonidovich Lastovetskiy
{"title":"Application of the OECD QSAR Toolbox software for calculating the parameters of acute aquatic toxicity of chemicals","authors":"Khalidya Khizbulaevna Khamidulina, E. Tarasova, Mikhail Leonidovich Lastovetskiy","doi":"10.47470/0869-7922-2022-30-1-45-54","DOIUrl":"https://doi.org/10.47470/0869-7922-2022-30-1-45-54","url":null,"abstract":"Introduction. The Organization for Economic Cooperation and Development (OECD) has developed the QSAR Toolbox software, which allows predicting the properties of chemicals including (eco)toxic based on the structure of the substance using mathematical statistics methods. The purpose of this work was to study the applicability of the OECD QSAR Toolbox software for calculating the acute aquatic toxicity parameters (LC50 and EC50) of chemicals necessary, for example, to determine the hazard class of chemical products according to GOST 32419-2013 “Classification of chemical products. General requirements” or to prepare a safety data sheet for products. Materials and methods. The OECD QSAR Toolbox software version 4.4.1 (current for August 2021), documents, manuals and webinars of the OECD, the European Chemical Agency (ECHA), the Laboratory of Mathematical Chemistry of the University of Burgas, Bulgaria (the main software developer), articles. Discussion of the results. The OECD QSAR Toolbox software version 4.4.1 allows calculating the acute aquatic toxicity parameters (LC50, EC50) of chemicals using trend analysis and read across, as well as automated and standardized workflows. About 50 chemicals with experimental data of LC50 and EC50 belonging to different hazard classes according to GOST 32419-2013, with different functional groups in the structure of the molecule, were selected for testing. Calculated values of LC50 and EC50 of chemicals were compared with the experimental data. Conclusion. The OECD QSAR Toolbox software version 4.1.1 can be successfully used to calculate the acute toxicity parameters LC50, Pimephales promelas, 96 h; LC50 (EC50), Actinopterygii, 96 h and LC50, Daphnia magna, 48 h for a wide range of organic compounds, but is not applicable for inorganic substances, organometallic compounds, polymer molecules, chemicals containing metal ions.","PeriodicalId":23128,"journal":{"name":"Toxicological Review","volume":"24 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-02-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77917237","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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