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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
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
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.
介绍。当今世界,与诱变剂、致癌物、生殖毒性物质一样,影响内分泌系统的化学物质也受到严重关注。因此,我们研究的目的是为国家内分泌干扰物清单提供科学依据。材料和方法。为了创建一个对内分泌系统有影响的物质的国家清单,为了选择候选物质,对欧盟、美国、加拿大和印度的立法和潜在内分泌干扰物清单进行了分析。所有物质均按CAS编号、应用领域和对内分泌系统的危害程度进行了分类。结果。在俄罗斯联邦流通的内分泌干扰物清单草案包括用于医药、农业、化学、食品、香水和化妆品工业的494种化学品。1A类(已知内分泌干扰物)物质19种,1B类(可能内分泌干扰物)物质193种,2类(疑似内分泌干扰物)物质250种,3类(内分泌干扰物)物质32种。结论。在俄罗斯联邦领土的各个经济领域,破坏内分泌系统的化学品被广泛使用。特别值得关注的是在香水、化妆品和食品中使用危害等级为1B的内分泌干扰物。
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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
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
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).
介绍。随着含氮肥料的广泛使用,农业的积极发展,含有亚硝酸钠作为防腐剂的加工肉制品的消费量增加,不可避免地导致人体氮负荷的增加,并可能导致心血管疾病的发展。材料和方法。在离体大鼠心脏模型上,以0.03剂量亚硝酸钠亚慢性灌胃给药28天,评估其心脏毒性作用;0.3;3.0毫克/公斤。结果。亚硝酸钠的使用导致冠状血管和心肌的扩张,抑制心脏的收缩活动,以QT间期缩短的形式破坏其电活动,这与心室颤动的风险增加有关,并倾向于增加T波的振幅,这表明心肌缺血。在全缺血的应激试验中,我们发现在再灌注条件下表征心肌功能恢复的参数的变化幅度与使用亚硝酸钠的剂量成反比。的局限性。这项研究只在更容易发生心血管疾病的雄性白鼠身上进行。结论。亚慢性给药时,剂量为0.028 mg/kg的亚硝酸钠具有心脏毒性,比世卫组织确定的人类每日允许摄入量(0.06 mg/kg)低两倍。
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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
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
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.
介绍。含amanitin的大型菌的毒性作用,或phalloidin综合征,伴随着低患者生存率,它仍然是紧急肝移植的主要原因之一。因此,导致这种情况的生物多样性和含amanitin真菌的分布问题出现在毒理学的相关光中。材料和方法。这项研究分两个阶段进行。在第一阶段,通过在PubMed数据库中进行系统搜索,编制了含amanitin的大型真菌的初步清单。在研究的第二阶段,分析了俄罗斯含金刚蚁素分类群的存在和发生情况。结果。根据文献资料和俄罗斯科学院科马罗夫植物研究所真菌地理学和系统学实验室的数据,编制了21种含Amanita的大型真菌在俄罗斯行政区域的分布图:Amanita 5种,Galerina 1种,Lepiota 15种。综述了一些有毒分类群的物种概念及其主要识别特征。关于两种Conocybe物种毒性的有争议的观点被强调。的局限性。这项研究只考虑了有毒真菌在俄罗斯不同地区的具体发生情况,而没有考虑其生长的密度和频率,这可能使评估所提供的数据与个别行政单位中有关物种中毒的可能性之间的关系变得困难。结论。研究结果确定了毒蝇木耳和Galerina物种的分布边界,以及Lepiota物种多样性最高的地区:莫斯科地区和滨海边疆区。
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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
Pub Date : 2022-04-30 DOI: 10.47470/0869-7922-2022-30-2-128-129
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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
Pub Date : 2022-04-30 DOI: 10.47470/0869-7922-2021-30-2-115-121
L. Sharafutdinova
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.
的目标。目的研究口服金红石型二氧化钛对大鼠免疫系统器官形态和功能状态的影响。材料和方法。本研究利用经典形态学方法和特异性标记:增殖- Ki-67、PCNA、凋亡- p53蛋白和巨噬细胞- CD68,不仅可以充分识别细胞本身,而且可以充分识别细胞的功能状态,对经蒸馏水稀释得到的纳米分散形式的TiO2(金红石形式,40-60 nm)口服(10 mg/kg动物体重,28天)后的大鼠脾脏和胸腺进行了研究。在超声波浴中处理纳米分散的TiO2悬浮液可以防止纳米颗粒的聚集。对照组大鼠口服等量蒸馏水。结果。口服金红石形式的纳米分散TiO2,观察到胸腺的适度意外内化,脾脏白髓的减少,由于增殖潜力的降低和细胞凋亡的增加。所揭示的淋巴器官形态功能变化可以从暴露于金红石型TiO2 NPs背景下发生的诱导继发性免疫缺陷的角度来解释。的局限性。在研究二氧化钛(金红石,40 ~ 60 nm, 10 mg/kg动物体重)对免疫防御器官形态特征的影响时,以12只Wistar大鼠为样本,最大暴露时间为28天。结论。检测到的淋巴器官形态功能变化可以从诱导继发性免疫缺陷的位置来解释,这是在暴露于金红石修饰的NPS TiO2的背景下发生的。
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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
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
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.
的目标。本研究的目的是利用酒精性昏迷的实验模型,确定抑制生物电活性产生的可逆性的预后显著标准。材料和方法。实验对象为27只体重为340±40 g的非线性性成熟大鼠,以12.6 g/kg的分数剂量(LD50)口服40%乙醇溶液。脑电图监测进行,直到有明确的效果(从1到54小时)。结果。在酒精昏迷的有利结果(11只大鼠)中,脑电图结果包含以下相状态:1)连续活动模式,伴有强烈调制幅度的闪光(调制系数10-12,指数25-35%);2)离散活动模式(信号抑制指数不超过10%),仅在毒性阶段记录;3)觉醒的模式。在脑功能不全致死性结局(16只大鼠)中,生物电活动呈现如下状态:1)弱调节的持续活动(调节系数小于5);2)碎片化活性(抑制指数为20-50%);3)“闪光抑制”模式;4)周期性放电模式;5)等电沉默。脑功能不全终末期以1 ~ 1.5 Hz频率的高振幅波为特征,伴有3 ~ 4次振幅递减的交替振荡。结论。在LD50剂量的急性乙醇中毒病例中,预后有利的脑电图标志是连续活动的幅度调制,这反映了同步丘脑皮质相互作用的保存。在中毒的致毒阶段,可以记录到一种离散的活动模式(调制指数高达10%),这反映了乙醇的抑制作用,而不是生物电生成机制的衰变。
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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
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
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.
介绍。阿米克辛(替洛龙)是一种低分子量干扰素诱导剂、抗病毒和免疫调节剂,用于病毒性疾病的治疗和预防,在SARS-CoV-2感染(COVID-19)轻中度严重程度的综合治疗中显示了阿米克辛的有效性。材料和方法。以小鼠、大鼠、家兔和豚鼠为实验对象,进行了确定氨苄素毒理学参数的实验研究。该物质经胃、腹腔、眼结膜囊、皮肤、皮内和吸入给药。结果。结果表明,按照GOST 12.1.007-76标准,胃内注射阿米辛属于第三类危害物质(中度危害物质):雄性小鼠DL50为500 mg/kg,雌性小鼠DL50为760 mg/kg;腹腔注射毒性低,雄性小鼠DL50 - 150mg /kg。阿米克辛对眼睛粘膜有弱刺激作用,不刺激皮肤,有皮肤吸收作用和功能累积活性。根据对肝肾功能状态的影响,将氨苄素急性吸入暴露阈值设定为16.2 mg/m3。的局限性。在制定和充实空气中氨苄素卫生标准的过程中,对几种具有代表性的动物种群中氨苄素进入人体的各种途径进行了研究。结论。对于氨苄素气溶胶,已批准卫生标准-工作区域空气中0.4 mg/m3和大气中0.01 mg/m3。
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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
Pub Date : 2022-02-28 DOI: 10.47470/0869-7922-2022-30-1-55-63
E. Tarasova, Khalidya Khizbulaevna Khamidulina, Andrey Konstantinovich Nazarenko
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.
介绍。欧亚经济联盟技术法规草案“关于油漆和清漆材料的安全性”规定了住宅和(或)公共场所、家具产品、游乐场、儿童和青少年产品、景点、与食品接触的产品的内外表面油漆和清漆材料中的铅含量。并用于水处理设备,其水平不超过非挥发性化学品总重量的0.009%,过渡期为60个月。现行GOST R 50279.10-92 (ISO 6503-84) (GOST R 50279.10-92 (ISO 6503-84))。油漆和清漆。金属含量的测定方法。总铅含量的测定。火焰原子吸收光谱法)和GOST R 50279.3-92 (ISO 3856/1-84) (GOST R 50279.3-92 (ISO 3856/1-84)。油漆和清漆。金属含量的测定方法。“溶解”铅含量的测定。火焰原子吸收光谱法和双硫腙分光光度法)的铅检测限为0.1%(重量比),不能提供所需的灵敏度,因此有必要根据既定程序开发和批准一种分析方法,用于测定油漆和清漆材料中非挥发性化学品总重量的0.0045%(既定标准的1/2)的铅。材料和方法。在审查的准备工作中使用了欧亚经济联盟、世界卫生组织、联合国环境规划署、美国测试和材料学会(ASTM国际)、国际标准化组织(ISO)、美国环境保护署(EPA)、分析设备制造商(总共26个来源)的文件、指南和网络研讨会。结果和讨论。综述了涂料和清漆中常用的铅测定方法,指出了它们的特点、优点和局限性:火焰原子吸收光谱法;电热雾化原子吸收光谱法;电感耦合等离子体原子发射光谱法;x射线荧光光谱法。结论。考虑到较低的检出限,以及耗材和设备维护成本,对国内外现有的油漆和清漆中铅的测定方法进行了系统分析,确定了三种对制定指南感兴趣的方法:电热雾化原子吸收光谱法;电感耦合等离子体原子发射光谱法;高分辨率x射线荧光光谱法
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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)
Pub Date : 2022-02-28 DOI: 10.47470/0869-7922-2022-30-1-38-44
V. Kaptsov, V. Pankova, A. V. Chirkin
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.
介绍。通过过滤个人呼吸防护装备保护员工免受气体危害的必要条件是及时更换过滤器。以前,感觉器官对气体进入面具的反应被用于此。由于不可靠,这种方法在所有发达国家已被完全禁止,因为过滤器寿命是在最坏的预期条件下估计的,以便安排过滤器更换。材料和方法。我们使用NIOSH、OSHA、Taylor & Francis、b施普林格、Journal of the ISRP、发达国家使用呼吸器的法律要求以及其他可用的出版物来准备文章。结果。本文介绍了在调度过程中遇到的问题和解决方法,采用使用寿命(一次性使用)的数学模型,考虑其优缺点以及评估滤芯重复使用安全性时存在的问题。结论。文章分析了俄罗斯联邦使用防毒面具的工人的危险源;并提出了减少其数量的建议。
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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
Pub Date : 2022-02-28 DOI: 10.47470/0869-7922-2022-30-1-45-54
Khalidya Khizbulaevna Khamidulina, E. Tarasova, Mikhail Leonidovich Lastovetskiy
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.
介绍。经济合作与发展组织(OECD)开发了“QSAR工具箱”软件,可以根据物质的结构,利用数理统计方法预测(生态)毒性等化学物质的性质。这项工作的目的是研究OECD QSAR工具箱软件在计算化学品的急性水生毒性参数(LC50和EC50)方面的适用性,例如,根据GOST 32419-2013“化学产品分类”确定化学产品的危害等级。“一般要求”或为产品准备安全数据表。材料和方法。OECD QSAR工具箱软件版本4.4.1(目前为2021年8月),OECD,欧洲化学品管理局(ECHA),保加利亚布尔加斯大学数学化学实验室(主要软件开发人员)的文件,手册和网络研讨会,文章。结果的讨论。OECD QSAR工具箱软件版本4.4.1允许使用趋势分析和读取以及自动化和标准化工作流程计算化学品的急性水生毒性参数(LC50, EC50)。根据GOST 32419-2013的LC50和EC50实验数据,选取分子结构中官能团不同,属于不同危害等级的约50种化学品进行测试。将化学药品LC50和EC50计算值与实验数据进行比较。结论。OECD QSAR Toolbox软件4.1.1版可成功计算出pmephales promelas, 96 h的急性毒性参数LC50;LC50 (EC50),放线菌,96 h和LC50,大水蚤,48 h适用范围广泛的有机化合物,但不适用于无机物,有机金属化合物,聚合物分子,含金属离子的化学品。
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Toxicological Review
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