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Using Stacking Ensemble Machine Learning to Estimate the Human Half-Life and Apparent Volume of Distribution: Implications for Human Health Risk Assessment 使用堆叠集成机器学习估计人类半衰期和表观分布量:对人类健康风险评估的影响
IF 3.4 Pub Date : 2025-11-10 DOI: 10.1021/acs.chas.5c00166
Bixuan Wang, , , Yuzhe Li, , , Jie Zheng, , , Wenhong Fan, , , Ying Wang, , , Fujun Ma, , , Min Chen*, , and , Zhaomin Dong*, 

Evaluating the population pharmacokinetic parameters, biological half-life (HL), and apparent volume of distribution (Vd) is important for identifying potential risks of chemicals. In this study, we developed a framework of stacking machine learning models for predicting the two parameters, providing more generalized prediction methods for data from diverse sources. We built a larger database containing experimental data for 2934 and 1787 substances for HL and Vd, respectively, and considered two different chemical featurization methods. We employed five individual algorithms (Support Vector Regression, Random Forest, Gaussian Process, Artificial Neural Network, and Extreme Gradient Boosting) to construct the base models, and then combined predictions using Multiple Linear Regression to obtain 4 stacking models. Our stacking models performed well and outperformed the corresponding base models, with the extended connectivity fingerprint-based stacking model achieving the best predictive performance. The accuracy of the models, as defined by the applicability domain, was further improved, retaining more than 60% of the test data. Finally, we developed a publicly accessible online Web site (http://tkpara.hhra.net), where users can easily and quickly utilize our models. Our work provides data support for human health risk assessment of chemicals and for the use and management of chemicals or industrial products.

评估人群药代动力学参数、生物半衰期(HL)和表观分布体积(Vd)对于识别化学品的潜在风险非常重要。在本研究中,我们开发了一个用于预测这两个参数的堆叠机器学习模型框架,为来自不同来源的数据提供了更广义的预测方法。我们建立了一个更大的数据库,分别包含2934和1787种物质的HL和Vd的实验数据,并考虑了两种不同的化学表征方法。采用支持向量回归(Support Vector Regression)、随机森林(Random Forest)、高斯过程(Gaussian Process)、人工神经网络(Artificial Neural Network)和极端梯度增强(Extreme Gradient Boosting)五种算法构建基础模型,然后利用多元线性回归(Multiple Linear Regression)进行组合预测,得到4个叠加模型。我们的堆叠模型表现良好,并且优于相应的基础模型,其中基于扩展连接指纹的堆叠模型具有最佳的预测性能。模型的准确度进一步提高,根据适用性域的定义,保留了60%以上的测试数据。最后,我们开发了一个可公开访问的在线Web站点(http://tkpara.hhra.net),用户可以在其中轻松快速地使用我们的模型。我们的工作为化学品的人类健康风险评估以及化学品或工业产品的使用和管理提供数据支持。
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引用次数: 0
Quantitative Risk-Informed Sensor Placement Optimization for Chemical Leak Detection in a Complex Laboratory Layout Using the CFD-ANN Approach 使用CFD-ANN方法在复杂实验室布局中进行化学泄漏检测的定量风险知情传感器放置优化
IF 3.4 Pub Date : 2025-11-04 DOI: 10.1021/acs.chas.5c00089
Xu Zhang, , , Michelle Xin Yi Ng, , , Kai Xiang Yu, , , Joon Yoon Ten, , , Khang Wei Tan, , , Weng Hoong Lam, , , Peng Chee Tan, , , Thomas Shean Yaw Choong, , , Parthiban Siwayanan, , , Kek Seong Kim*, , and , Zhen Hong Ban*, 

The rapid and accurate localization of hazardous chemical leak sources is critical for mitigating environmental damage, protecting public health, and ensuring an effective emergency response. However, the conventional source localization method can be slow and inefficient. To address this challenge, this research proposes and develops a novel integrated system leveraging computational fluid dynamics (CFD), sensor network optimization, and artificial neural networks (ANN) for the precise localization of chemical sources, focusing on ethanol leaks within a laboratory environment. The dispersion of ethanol gas was simulated using CFD, and the simulation data were used for sensor optimization. The sensor system, consisting of 10 sensors at vital locations, is the foundation for the development of the ANN-based source localization method. The environmental factors related to gas dispersion considered were wind speed, wind direction, and temperature, as well as the presence of exhaust and air supply systems. A total of 4 leakage points were studied. The concentration data measured by the sensor system were used to train the ANN to identify the most probable location of the ethanol leak. The model achieved a validation percentage of 87.5% and an average error of 0.0001% in determining the ethanol leak location of four release points in the study area. The findings demonstrate that this combined CFD-ML approach offers a powerful and efficient tool for improving emergency response protocols, enhancing safety measures, and mitigating potential financial losses during chemical incidents.

快速和准确定位危险化学品泄漏源对于减轻环境损害、保护公众健康和确保有效的应急反应至关重要。然而,传统的源定位方法速度慢,效率低。为了应对这一挑战,本研究提出并开发了一种新的集成系统,利用计算流体动力学(CFD)、传感器网络优化和人工神经网络(ANN)来精确定位化学来源,重点关注实验室环境中的乙醇泄漏。利用CFD模拟了乙醇气体的分散过程,并将模拟数据用于传感器优化。该传感器系统由10个重要位置的传感器组成,是发展基于人工神经网络的信号源定位方法的基础。与气体分散相关的环境因素包括风速、风向、温度以及排气和送风系统。共研究了4个泄漏点。传感器系统测量的浓度数据用于训练人工神经网络,以识别最可能的乙醇泄漏位置。该模型对研究区域内4个乙醇释放点的乙醇泄漏位置确定的验证率为87.5%,平均误差为0.0001%。研究结果表明,这种结合CFD-ML的方法为改进应急响应协议、加强安全措施和减轻化学事故期间潜在的经济损失提供了强大而有效的工具。
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引用次数: 0
Investigative Analysis of Safety Risk Assessment in University Science and Engineering Laboratories: Focus on High-Pressure Gas Accident 高校理工科实验室安全风险评价的调查分析——以高压气体事故为例
IF 3.4 Pub Date : 2025-10-29 DOI: 10.1021/acs.chas.5c00127
Hiroko Kato, , , Masako Iwasaki, , , Takayuki Sunazaki, , , Shinichi Daiten, , and , Yukitoshi Takeshita*, 

Institute of Science Tokyo has been actively conducting safety and health risk assessments (RA) across its science and engineering laboratories. Prior studies indicated a negative association between RA implementation rates and accident occurrence, suggesting that thorough RA practices can effectively reduce risks. Notably, hazards such as glassware and cutting tools were associated with higher accident rates, primarily resulting in cuts and puncture wounds. Effective RA requires concrete damage scenario assumptions and prioritization of engineering controls over worker-dependent measures. In August 2024, a chlorine gas leak incident occurred on campus due to a valve malfunction in an unused and uninspected gas cylinder. Despite the absence of injuries, the incident highlighted the need for enhanced preventive strategies. This study analyzes the high-pressure gas accidents that occurred over the past 20 years and assesses whether current RA practices adequately address these risks, with the goal of enhancing future safety strategies. During this time, seven high-pressure gas accidents were reported (five leaks, two ruptures), averaging 0.4 cases per year─significantly fewer than chemical-related incidents (285 cases, 14.3/year). In 2024, 49% of laboratories possessing gas cylinders conducted RA. Laboratories assessing toxic gases and predicting poisoning implemented more countermeasures, with a notable focus on engineering controls, reflecting greater hazard awareness. However, incomplete RA, as seen in the 2024 incident, may hinder the goal of zero accidents. The lack of regular inspections and aging infrastructure (pipes, valves, flanges) emerged as critical issues. These findings offer valuable insights for global institutions seeking to improve high-pressure gas safety and risk management.

东京科学研究所一直在其科学和工程实验室积极开展安全和健康风险评估(RA)。先前的研究表明RA执行率与事故发生率呈负相关,表明彻底的RA实践可以有效降低风险。值得注意的是,玻璃器皿和切割工具等危险物与较高的事故率有关,主要导致割伤和刺伤。有效的RA需要具体的损害情景假设和优先级工程控制,而不是依赖于工人的措施。在2024年8月,由于一个未使用和未经检查的气瓶阀门故障,校园发生了氯气泄漏事件。尽管没有人员受伤,但这一事件凸显了加强预防战略的必要性。本研究分析了过去20年发生的高压气体事故,并评估了当前的RA实践是否充分解决了这些风险,目的是加强未来的安全策略。在此期间,报告了7起高压气体事故(5起泄漏,2起破裂),平均每年0.4起,显著低于化学相关事故(285起,14.3起/年)。2024年,49%拥有气瓶的实验室进行了RA。评估有毒气体和预测中毒的实验室实施了更多的对策,尤其注重工程控制,反映出更强的危害意识。然而,从2024年的事故中可以看出,不完整的RA可能会阻碍零事故的目标。缺乏定期检查和老化的基础设施(管道,阀门,法兰)成为关键问题。这些发现为寻求改善高压气体安全和风险管理的全球机构提供了有价值的见解。
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引用次数: 0
Enhancing Chemical Health Risk Assessment Practices in a Malaysian Higher Academic Institution through Indoor Air Quality Methodology: Mixed-Method Analysis 通过室内空气质量方法加强马来西亚高等学术机构的化学健康风险评估实践:混合方法分析
IF 3.4 Pub Date : 2025-10-03 DOI: 10.1021/acs.chas.5c00094
Faris Abdullah, , , Mohd. Hafiidz Jaafar*, , , Mardiana Idayu Ahmad, , and , Mohd Saiful Samsudin, 

Chemical Health Risk Assessment (CHRA) and Indoor Air Quality (IAQ) assessments are important aspects of assessment to be conducted in chemical laboratories. A local higher education institution was selected for the purpose of this study. The objective of this study is to propose an integrated approach that combines IAQ monitoring with CHRA to enhance the accuracy and effectiveness of chemical risk assessments in Malaysian academic laboratories under the provision of the OSHA 1994. 79 laboratories had undergone a thorough chemical health risk assessment based on the requirements of the Use and Standards Exposure of Chemicals Hazardous to Health Regulation (2000). Thirty-four laboratories were later selected and underwent further analysis using an Indoor Air Quality assessment based on the Malaysian Industrial Code of Practice on Indoor Air Quality (2010). Parameters such as relative humidity and ventilation indicator (carbon dioxide) were found to be significantly associated with Action Priority (AP-risk level) using the CHRA methodology at a 5% significance level. Integrating IAQ parameters with CHRA offers a more comprehensive, data-driven approach to identifying and managing chemical exposure risks in Malaysian academic laboratories.

化学品健康风险评估(CHRA)和室内空气质量评估(IAQ)是化学实验室评估的重要方面。本研究选取一所本地高等教育机构作为研究对象。本研究的目的是提出一种综合方法,将室内空气质量监测与CHRA结合起来,以提高1994年OSHA规定下马来西亚学术实验室化学品风险评估的准确性和有效性。79个实验室根据《有害健康化学品的使用和标准接触条例》(2000年)的要求进行了全面的化学品健康风险评估。后来选择了34个实验室,并根据马来西亚室内空气质量工业实践规范(2010年)进行了室内空气质量评估,进行了进一步分析。使用CHRA方法发现,相对湿度和通风指标(二氧化碳)等参数与行动优先级(ap风险水平)显著相关,显著性水平为5%。将室内空气质量参数与CHRA相结合,为马来西亚学术实验室识别和管理化学品暴露风险提供了一种更全面、数据驱动的方法。
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引用次数: 0
Characterizing Cleaners’ Exposures to Chemicals in Cleaning Products Using Gas Chromatography–Mass Spectrometry Fingerprinting: A Feasibility Study 使用气相色谱-质谱指纹图谱表征清洁者对清洁产品中化学物质的暴露:可行性研究
IF 3.4 Pub Date : 2025-10-03 DOI: 10.1021/acs.chas.5c00088
Libe Vilela*, , , Anders Blom, , , Gunilla Runström Eden, , , Håkan Tinnerberg, , , Anne Farbrot, , , Anneli Julander, , and , Linda Schenk, 

Purpose: exposure to cleaning work has been associated with adverse effects on skin and the respiratory tract. However, quantitative data on exposure to chemicals among cleaning personnel are limited. We aimed to develop a new approach for cleaning chemical exposure quantification and to characterize cleaning personnel’s work environment. Methods: cleaning personnel (n = 12) from three workplaces participated. Personal air samples were collected with a 25 mm filter cassette containing an active adsorbent sample disc. Samples were analyzed with Gas Chromatography–Mass Spectrometry (GC–MS) in two ways, a fingerprint-based quantification and a nontarget screening to identify the range of chemicals. DataRAM pDR 1000AN was used to monitor particle peaks (1–10 μm). Additional information, such as glove use and health symptoms, was collected via questionnaires, diaries, and observations. Nasal patency was assessed using peak nasal inspiratory flow (PNIF) pre- and postshift. Results: Chemical exposures varied within and between cleaning personnel and between workplaces. Fifty-five chemicals were identified across the air samples, 21 of which were also found in analyzed products. Constituents from spray products were more often detected than from nonspray products. Peak exposures to particles were identified during bathroom cleaning or spray use. Cleaning personnel with self-reported respiratory allergies had lower PNIF values than other cleaners (p = 0.016). Workplace observations indicate an extremely long duration of glove use. Conclusion: This study successfully implemented a GC–MS-based chemical analysis, showing high variation in both amounts and chemical ranges between cleaning personnel. Estimated air concentrations were low compared to the Swedish occupational exposure limits. Use of occlusive gloves was high.

目的:接触清洁工作对皮肤和呼吸道有不良影响。然而,关于清洁人员接触化学品的定量数据有限。我们的目的是开发一种新的方法来定量清洁化学品暴露和表征清洁人员的工作环境。方法:来自三个工作场所的清洁人员(n = 12)参与。个人空气样本用25毫米滤盒收集,滤盒中含有活性吸附剂样本盘。样品分析采用气相色谱-质谱(GC-MS)两种方法,基于指纹的定量和非目标筛选,以确定化学物质的范围。采用DataRAM pDR 1000AN监测颗粒峰(1 ~ 10 μm)。其他信息,如手套使用和健康症状,通过问卷调查、日记和观察收集。使用鼻吸气流量峰值(PNIF)评估鼻通畅程度。结果:化学品暴露在清洁人员内部和之间以及工作场所之间存在差异。在空气样本中发现了55种化学物质,其中21种也在分析产品中发现。来自喷雾产品的成分比来自非喷雾产品的成分更常被检测到。在浴室清洁或使用喷雾时,发现了颗粒暴露的峰值。自我报告呼吸道过敏的清洁人员的PNIF值低于其他清洁人员(p = 0.016)。工作场所的观察表明手套的使用时间非常长。结论:本研究成功地实施了基于气相色谱-质谱的化学分析,显示了清洁人员在数量和化学范围上的很大差异。与瑞典的职业暴露限值相比,估计的空气浓度较低。闭塞手套使用率高。
{"title":"Characterizing Cleaners’ Exposures to Chemicals in Cleaning Products Using Gas Chromatography–Mass Spectrometry Fingerprinting: A Feasibility Study","authors":"Libe Vilela*,&nbsp;, ,&nbsp;Anders Blom,&nbsp;, ,&nbsp;Gunilla Runström Eden,&nbsp;, ,&nbsp;Håkan Tinnerberg,&nbsp;, ,&nbsp;Anne Farbrot,&nbsp;, ,&nbsp;Anneli Julander,&nbsp;, and ,&nbsp;Linda Schenk,&nbsp;","doi":"10.1021/acs.chas.5c00088","DOIUrl":"https://doi.org/10.1021/acs.chas.5c00088","url":null,"abstract":"<p >Purpose: exposure to cleaning work has been associated with adverse effects on skin and the respiratory tract. However, quantitative data on exposure to chemicals among cleaning personnel are limited. We aimed to develop a new approach for cleaning chemical exposure quantification and to characterize cleaning personnel’s work environment. Methods: cleaning personnel (<i>n</i> = 12) from three workplaces participated. Personal air samples were collected with a 25 mm filter cassette containing an active adsorbent sample disc. Samples were analyzed with Gas Chromatography–Mass Spectrometry (GC–MS) in two ways, a fingerprint-based quantification and a nontarget screening to identify the range of chemicals. DataRAM pDR 1000AN was used to monitor particle peaks (1–10 μm). Additional information, such as glove use and health symptoms, was collected via questionnaires, diaries, and observations. Nasal patency was assessed using peak nasal inspiratory flow (PNIF) pre- and postshift. Results: Chemical exposures varied within and between cleaning personnel and between workplaces. Fifty-five chemicals were identified across the air samples, 21 of which were also found in analyzed products. Constituents from spray products were more often detected than from nonspray products. Peak exposures to particles were identified during bathroom cleaning or spray use. Cleaning personnel with self-reported respiratory allergies had lower PNIF values than other cleaners (<i>p</i> = 0.016). Workplace observations indicate an extremely long duration of glove use. Conclusion: This study successfully implemented a GC–MS-based chemical analysis, showing high variation in both amounts and chemical ranges between cleaning personnel. Estimated air concentrations were low compared to the Swedish occupational exposure limits. Use of occlusive gloves was high.</p>","PeriodicalId":73648,"journal":{"name":"Journal of chemical health & safety","volume":"32 6","pages":"705–715"},"PeriodicalIF":3.4,"publicationDate":"2025-10-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acs.chas.5c00088","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145575835","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Recycling Plastic Bags into Filament: Consideration of Emissions during Melting, Extrusion, and 3-D Printing 将塑料袋回收成细丝:熔化、挤压和3d打印过程中排放的考虑
IF 3.4 Pub Date : 2025-10-01 DOI: 10.1021/acs.chas.5c00138
Aleksandr B. Stefaniak*, , , Lauren N. Bowers, , , Christopher Barnes, , , Elizabeth D. Brusak, , , Cornelius Petrus Kloppers, , , Sonette Du Preez, , , Sherri Friend, , and , Johan L. Du Plessis, 

Billions of plastic bags (PBs) are consumed per day and are discarded after use. One way to reduce PB waste is distributed recycling and conversion into filament for 3-D printing as part of a circular economy, though little is understood about emissions during these processes. Herein, a “green” method was used to mix high-density polyethylene (HDPE) PBs from South Africa or the United States with virgin HDPE and extrude into filaments that were used to 3-D print tensile test specimens. Particle- and gas-phase emissions were measured throughout processing. On a particle number basis, during filament production, emissions mostly had sizes 1.2–5.2 nm, whereas during 3-D printing, emissions were mostly 5.6–560 nm. Particle yields (no./g plastic processed) were significantly (2–3 orders of magnitude) higher during 3-D printing compared with filament making. Acetone (range: 1.4–39.4 μg/g printed) and formaldehyde (range: 9.9–16.1 μg/g printed), the latter a potential occupational carcinogen, were released during 3-D printing. The Young’s modulus of test specimens was comparable to literature values for 3-D-printed virgin and recycled HDPE. Recycling waste PBs into filament for 3-D printing has myriad sustainability benefits, though the potential for human exposures to particles and gases is an important consideration for future life cycle analyses.

每天有数十亿个塑料袋被消耗,使用后被丢弃。作为循环经济的一部分,减少铅废物的一种方法是分布式回收并将其转化为3d打印的灯丝,尽管人们对这些过程中的排放知之甚少。本文采用“绿色”方法,将来自南非或美国的高密度聚乙烯(HDPE) PBs与原生HDPE混合,挤压成用于3d打印拉伸试件的长丝。在整个加工过程中测量了颗粒和气相排放。在颗粒数的基础上,在长丝生产过程中,排放物的尺寸主要为1.2-5.2 nm,而在3d打印过程中,排放物的尺寸主要为5.6 - 560nm。颗粒产率(no。与长丝制作相比,在3d打印过程中(2-3个数量级)显著提高。3d打印过程中释放出丙酮(范围:1.4-39.4 μg/g)和甲醛(范围:9.9-16.1 μg/g),后者是一种潜在的职业致癌物。试件的杨氏模量与3d打印的原始HDPE和回收HDPE的文献值相当。将废弃的PBs回收成3d打印的灯丝有很多可持续发展的好处,尽管人类暴露在颗粒和气体中的可能性是未来生命周期分析的一个重要考虑因素。
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引用次数: 0
Highly Sensitive Electrochemical Sensors for Nitroexplosives Using Functionalized SiC Nanoparticles 基于功能化SiC纳米颗粒的高灵敏度硝化炸药电化学传感器
IF 3.4 Pub Date : 2025-10-01 DOI: 10.1021/acs.chas.5c00112
Elham Soltani, , , Rahman Hallaj*, , and , Zhaleh Ghafary, 

A novel electrochemical sensor based on aminobenzenesulfonate-functionalized silicon carbide (SiC) nanoparticles and graphene on a glassy carbon electrode (denoted as GC/Gr/SiC@ABS) was developed for the sensitive detection of nitroaromatic explosives, such as p-nitrophenol (p-NP), 2,4-dinitrophenol (2,4-DNP), 2,4-dinitrotoluene (2,4-DNT), and 2,4,6-trinitrotoluene (TNT). The high electron mobility in graphene, chemical stability of SiC nanoparticles, and modification with aminobenzenesulfonate have a synergistic effect to facilitate and enhance the electrocatalytic reduction of nitroaromatics at acidic pH (1.0). Using cyclic voltammetry, differential pulse voltammetry, and hydrodynamic amperometry, a detection limit of 95 nM, a sensitivity of 1.31 μA μM–1 cm–2, and a linear range of 0.5–20 μM for TNT were achieved. The superior sensitivity and selectivity of the designed sensor make it an expandable, cost-effective option for environmental and safety monitoring of nitroaromatic explosives.

基于氨基苯磺酸功能化碳化硅纳米颗粒和石墨烯在玻璃碳电极上(标记为GC/Gr/SiC@ABS)研制了一种新型电化学传感器,用于对硝基苯酚(p-NP)、2,4-二硝基苯酚(2,4- dnp)、2,4-二硝基甲苯(2,4- dnt)和2,4,6-三硝基甲苯(TNT)等硝基芳香炸药的灵敏检测。石墨烯中的高电子迁移率、碳化硅纳米颗粒的化学稳定性以及氨基苯磺酸修饰具有协同效应,促进和增强了酸性pH(1.0)下硝基芳烃的电催化还原。采用循环伏安法、差分脉冲伏安法和流体动力伏安法对TNT的检测限为95 nM,灵敏度为1.31 μA μM - 1 cm-2,线性范围为0.5 ~ 20 μM。所设计的传感器具有优越的灵敏度和选择性,使其成为硝基芳香炸药环境和安全监测的可扩展,经济高效的选择。
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引用次数: 0
Safe Use of Carbon Monoxide in the Undergraduate Teaching Laboratory: Methoxycarbonylation of Iodocyclohexane 一氧化碳在本科教学实验室的安全使用:碘环己烷的甲氧羰基化
IF 3.4 Pub Date : 2025-09-30 DOI: 10.1021/acs.chas.5c00083
Daniel T. de Lill,  and , Veljko Dragojlovic*, 

A catalytic photochemical methoxycarbonylation of iodocyclohexane was carried out as an undergraduate exercise as a part of a Course-based Undergraduate Research Experience (CURE). The main goal of the exercise was to train students, using carbon monoxide as an example, in the design of a process that requires the use of hazardous reagents. The main concept to convey to the students was that the procedure or the process must be designed with numerous safety redundancies to ensure that there was no single point of failure. It meant anticipating possible problems and implementing redundant safety measures and means to detect that a possible problem has occurred.

碘环己烷的催化光化学甲氧基羰基化是作为基于课程的本科生研究经验(CURE)的一部分进行的。练习的主要目的是训练学生,以一氧化碳为例,设计一个需要使用危险试剂的过程。向学生传达的主要概念是,程序或过程必须设计有许多安全冗余,以确保没有单点故障。它意味着预测可能出现的问题,并实施冗余的安全措施和手段,以检测可能发生的问题。
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引用次数: 0
About the Toxicity of Polymerization Catalysts and Polymer Additives Based on Tin(II) Salts and Tin(IV) Compounds 基于锡(II)盐和锡(IV)化合物的聚合催化剂和聚合物添加剂的毒性研究
IF 3.4 Pub Date : 2025-09-25 DOI: 10.1021/acs.chas.5c00105
Hans. R. Kricheldorf*,  and , Steffen M. Weidner, 

This article reviews and discusses information on the toxicity of numerous tin-based catalysts used in academic research and industrial production for the synthesis of various polymers, such as polyesters, polyurethanes, and polysiloxanes. Tin(IV) compounds used as additives and as PVC stabilizers are also considered. Emphasis is put on the differentiation between tin(II) salts on the one hand and tin(IV) compounds on the other hand. In the first chapter, historical facts about human contact with stannous ions are discussed, along with toxicity studies of canned foods and beverages. In the second part, toxicity tests based on cell cultures and medical applications of tin(II)-containing films or implants are described. The third part focuses on alkyl and aryl tin(IV) compounds.

本文综述和讨论了在学术研究和工业生产中用于合成各种聚合物(如聚酯、聚氨酯和聚硅氧烷)的多种锡基催化剂的毒性信息。锡(IV)化合物用作添加剂和PVC稳定剂也被考虑。重点放在锡(II)盐和锡(IV)化合物之间的区别上。在第一章中,讨论了人类与锡离子接触的历史事实,以及罐头食品和饮料的毒性研究。在第二部分中,描述了基于细胞培养和含锡薄膜或植入物的医学应用的毒性测试。第三部分重点介绍烷基和芳基锡(IV)化合物。
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引用次数: 0
The Chemical Exposure Multiverse: Navigating Chemical Hazards through Multidisciplinary Insight 化学暴露多重宇宙:通过多学科洞察导航化学危害
IF 3.4 Pub Date : 2025-09-22 DOI: 10.1021/acs.chas.5c00152
Pamela Pollet*, 
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引用次数: 0
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