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Spotlights: Self-Heating Lunchboxes, Using Machine Learning to Predict Toxicity, and the Role of Sulfation in Skin Sensitization 聚焦:自加热饭盒、利用机器学习预测毒性以及硫酸盐化在皮肤过敏中的作用
Pub Date : 2024-02-23 DOI: 10.1021/acs.chas.4c00013
Lauren Goulding*, 
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引用次数: 0
Progress on Tritium Toxicity and Detoxification Strategies 氚毒性和解毒策略方面的进展
Pub Date : 2024-02-23 DOI: 10.1021/acs.chas.3c00091
Binghui Lu, Xinrui Yang, Jing Liu and Rong Li*, 

Tritium is a radioactive isotope of hydrogen that emits β-rays. Ingesting large doses of tritium can result in significant internal radiation damage to tissues and organs, causing chromosome damage, genomic instability, and even cancer. Therefore, the efficient promotion of tritium excretion and detoxification has become a crucial concern due to the extensive utilization of tritium. Conventional approaches involve administering diuretics and increased water intake, which can shorten the effective half-excretion period by 4 to 6 days. However, diuretic usage may lead to adverse reactions. In recent years, traditional Chinese medicines, such as Paichuanpian and Chahuangjing, have garnered attention for their potential in tritium elimination, with demonstrated low toxicity in animal experiments. Nevertheless, given the limited number of clinical cases involving internal tritium pollution, uncertainties persist regarding their clinical effects and toxicity levels. Hydrogen-rich water provides a simple, safe, nontoxic solution that has demonstrated promising results in antiradiation therapy and the treatment of various diseases. Experimental evidence suggests that hydrogen-rich water can also enhance excretion and detoxification processes while offering antioxidant benefits in animal models exposed to internal tritium. Therefore, it holds potential as an innovative approach for promoting tritium excretion and detoxification. This paper aims to compare the advantages and disadvantages of different measures and medications to provide insights into the development and enhancement of drugs specifically designed for promoting tritium excretion.

氚是氢的一种放射性同位素,能发射 β 射线。摄入大剂量的氚会对组织和器官造成严重的内部辐射损伤,导致染色体损伤、基因组不稳定甚至癌症。因此,由于氚的广泛使用,有效促进氚的排泄和解毒已成为一个至关重要的问题。传统的方法包括使用利尿剂和增加水的摄入量,这可以将有效的半排泄期缩短 4 到 6 天。然而,使用利尿剂可能会导致不良反应。近年来,传统中药,如排川片和茶黄精,因其在消除氚方面的潜力而备受关注,在动物实验中被证明具有低毒性。然而,由于涉及体内氚污染的临床病例数量有限,其临床效果和毒性水平仍存在不确定性。富氢水提供了一种简单、安全、无毒的解决方案,在抗辐射治疗和各种疾病的治疗方面取得了可喜的成果。实验证据表明,富氢水还能促进排泄和解毒过程,同时对暴露于体内氚的动物模型具有抗氧化作用。因此,富氢水有望成为促进氚排泄和解毒的创新方法。本文旨在比较不同措施和药物的优缺点,为开发和改进专门用于促进氚排泄的药物提供启示。
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引用次数: 0
Validity and Reliability of Survey Data: Key to Empowering Chemical Health and Safety Research 调查数据的有效性和可靠性:增强化学品健康与安全研究能力的关键
Pub Date : 2024-02-13 DOI: 10.1021/acs.chas.3c00111
Qi Cui*, Jordan T. Harshman and Regis Komperda, 

This work provides a guide for researchers and practitioners to develop and administer surveys within the context of chemical health and safety research. It discusses the challenges and key factors in developing health and safety surveys, focusing on evidencing validity and reliability in the field of psychometrics. The discussion encompasses survey design, question construction, ethical data collection, and the use of pilot studies for testing. The paper highlights the importance of adhering to the Standards for survey evaluation, advocating for the validity and reliability of survey data akin to accuracy and precision in benchtop applications. This work seeks to enhance the robustness of survey data, thereby reinforcing the foundation upon which chemical health and safety research can advance.

本著作为研究人员和从业人员在化学健康与安全研究的背景下制定和实施调查提供了指南。它讨论了制定健康与安全调查所面临的挑战和关键因素,重点是证明心理测量学领域的有效性和可靠性。讨论内容包括调查设计、问题构建、伦理数据收集以及使用试点研究进行测试。论文强调了遵守调查评估标准的重要性,主张调查数据的有效性和可靠性与台式应用中的准确性和精确性类似。这项工作旨在提高调查数据的稳健性,从而加强化学健康与安全研究得以推进的基础。
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引用次数: 0
Nasal Drug Delivery System and Devices: An Overview on Health Effects 鼻腔给药系统和设备:健康影响概述
Pub Date : 2024-02-09 DOI: 10.1021/acs.chas.3c00069
Pratik Katare, Tanvi Pawar Medhe, Akanksha Nadkarni, Mrudul Deshpande, Rakesh Kumar Tekade, Derajram Benival and Aakanchha Jain*, 

For centuries, intranasal administration has been a perennial fascination for humanity. In recent times, the realm of nanotechnology-based biomaterials has witnessed a notable resurgence. At its epicenter is the concept of “nose-to-brain” delivery, a pivotal strategy within the pharmaceutical landscape aimed at circumventing the challenges of first-pass metabolism and the reticular endothelium system. This innovative approach spans a spectrum of domains, encompassing drug delivery, diagnostics, theranostics, photothermal and photodynamic therapies, bioengineering, and biomedical engineering. To overcome its multifaceted challenges, the pioneering development of novel formulations is paramount, utilizing the potential of mucoadhesive polymers, sol–gel techniques, pH-dependent absorption, and advanced methodologies. The evolution of excipient technologies has, however, raised concerns surrounding nasal irritation, rapid drainage, and systemic toxicity, affecting both established and emerging formulations. Furthermore, the growing interest in comprehending, evaluating, and documenting the toxicity profiles of nanomaterials stems from their vast range of applications across industries. It sheds light on the various toxicological implications arising from the myriad variables in dosage form formulations, including the role of excipients. It is crucial to note that the mishandling of devices designed for nasal formulation administration can significantly contribute to toxicity concerns. Given these notable developments, this comprehensive review aims to provide an exhaustive examination of current knowledge regarding the physiological consequences of intranasal drug delivery systems within the human body.

几个世纪以来,鼻内给药一直是人类梦寐以求的东西。近来,以纳米技术为基础的生物材料领域出现了显著的复苏。其核心是 "鼻脑 "给药概念,这是制药领域的一项关键战略,旨在规避首过代谢和网状内皮系统的挑战。这种创新方法横跨多个领域,包括药物输送、诊断、治疗学、光热和光动力疗法、生物工程和生物医学工程。为了克服多方面的挑战,利用粘液黏附聚合物、溶胶-凝胶技术、pH 值吸收和先进方法的潜力,率先开发新型配方至关重要。然而,辅料技术的发展也引发了人们对鼻腔刺激、快速排泄和全身毒性的担忧,这对既有配方和新兴配方都产生了影响。此外,由于纳米材料在各行各业的广泛应用,人们对了解、评估和记录纳米材料毒性特征的兴趣与日俱增。它揭示了剂型配方中无数变量所产生的各种毒理学影响,包括辅料的作用。值得注意的是,鼻腔配方给药设备的不当操作会极大地引发毒性问题。鉴于这些显著的发展,本综合综述旨在详尽研究目前有关鼻内给药系统对人体生理影响的知识。
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引用次数: 0
A Safety Guidance Document for Lithium Aluminum Hydride (LAH) Reduction: A Resource for Developing Specific SOPs on LAH Manipulations† 锂铝氢化物(LAH)还原安全指导文件:为制定有关 LAH 处理的具体 SOP 提供资源†。
Pub Date : 2024-02-09 DOI: 10.1021/acs.chas.3c00102
Tilak Chandra*,  and , Jeffrey P. Zebrowski, 

Strong reducing agents like lithium aluminum hydride (LiAlH4, LAH) are frequently employed by industry and academic laboratories in syntheses and other research applications. Due to LAH’s reactivity, several laboratory explosions and fires have been documented in the literature and on various EH&S webpages at universities. Some of the accidents were caused by incorrect handling of LAH or by improper chemical processes, such as weighing on regular paper, grinding, and creating friction, using contaminated solvents and glassware, and physically scraping the material during transfers. In many of these cases, researchers did not have access to a guidance document or an SOP for many of these incidents, and no thorough risk assessment was carried out. Academic laboratories can avoid similar accidents and associated property damage by developing a safety guidance document that identifies every facet of LAH manipulation in the experiment, including reaction setup, procedures for weighing and transferring material to the reaction vessel, heating, and cooling during the reaction, quenching the reaction, and waste disposal. This LAH guidance document can be used to produce a manipulation-specific SOP that covers best practices and precautions for a variety of substrates and reaction scales.

工业和学术实验室在合成和其他研究应用中经常使用氢化铝锂(LiAlH4,LAH)等强还原剂。由于 LAH 的反应性,文献和各大学的 EH&S 网页上记录了多起实验室爆炸和火灾事故。其中一些事故是由于不正确处理 LAH 或化学工艺不当造成的,例如在普通纸上称重、研磨和产生摩擦、使用受污染的溶剂和玻璃器皿以及在转移过程中物理刮擦材料。在许多此类事故中,研究人员无法获得指导文件或 SOP,也没有进行彻底的风险评估。学术实验室可以通过制定一份安全指导文件来避免类似的事故和相关的财产损失,该文件应明确实验中 LAH 操作的方方面面,包括反应设置、称重和将材料转移到反应容器的程序、反应过程中的加热和冷却、反应淬火以及废物处理。本 LAH 指导文件可用于制定针对特定操作的 SOP,其中涵盖各种基质和反应规模的最佳实践和注意事项。
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引用次数: 0
Mitigation of Potential Risks in Chemical Laboratories: A Focused Review 降低化学实验室的潜在风险:重点回顾
Pub Date : 2024-01-24 DOI: 10.1021/acs.chas.3c00097
Hossein Abedsoltan*,  and , Mark B. Shiflett*, 

This review paper presents an analysis of safety practices in chemical laboratories. It encompasses a systematic exploration of various facets including risk assessment, hazard mitigation, and the implementation of safety protocols. Emphasis is placed on the critical role of continuous education and training, advocating a proactive safety culture, and adapting to technological advancements. Additionally, the paper underscores the importance of adhering to regulatory standards, promoting exceeding baseline compliance toward establishing best practices in laboratory safety. This comprehensive approach highlights the dynamic, multifaceted nature of laboratory safety, positioning it as a fundamental aspect of scientific research.

本综述论文分析了化学实验室的安全实践。它系统地探讨了包括风险评估、减轻危害和实施安全规程在内的各个方面。重点强调了持续教育和培训、倡导积极主动的安全文化以及适应技术进步的关键作用。此外,文件还强调了遵守监管标准的重要性,提倡超越基线合规,建立实验室安全的最佳实践。这种全面的方法强调了实验室安全的动态性和多面性,并将其定位为科学研究的一个基本方面。
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引用次数: 0
ACS Chemical Health & Safety: The Next Phase of Development ACS 化学健康与安全:下一阶段的发展
Pub Date : 2024-01-22 DOI: 10.1021/acs.chas.3c00120
Mary Beth Mulcahy*, 
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引用次数: 0
Mixture Flash Point Calculation: Recent Advances and a Closer Look at Biodiesel 混合物闪点计算:生物柴油的最新进展和近距离观察
Pub Date : 2024-01-08 DOI: 10.1021/acs.chas.3c00089
Débora Costa do Nascimento, Maurício Prado de Omena Souza, Laura de Oliveira Hentges, Rafael Macedo Dias, Antonio Marinho Barbosa Neto and Mariana Conceição da Costa*, 

To safely handle, transport, and store flammable or combustible liquids, such as biodiesel and its blends, it is important to have knowledge of a few physical-chemical properties. The Flash Point is an important one, as it is related to the flammability of the fuel blend. It can be experimentally measured through open cup or closed cup standard procedures. However, due to the usual scarcity of experimental data for multicomponent systems, developing a model to predict flash points of mixtures is of interest. To do so, there are a few possible approaches, which include empirical regression of data, vapor pressure-based methods, and QSPR. When it comes to mixtures, the most popular modeling method is based on vapor pressure, which usually employs LeChatelier’s rule and vapor–liquid equilibria (VLE) calculations to flash point prediction. Generally, a γ–φ approach is adopted to describe the VLE behavior, although some authors have shown interest in φ–φ approaches. In recent years, studies on QSPR for FP prediction of mixtures have evolved, which represents an advance toward more generalized FP prediction models. Additionally, COSMO type models have been gaining attention in FP prediction, usually associated with vapor pressure models or even empirical models. When it comes to biodiesel though, not much progress has been made since 2014, with just a few works being published since then. This paper seeks to review advances made in FP prediction methods for mixtures in general, while giving attention to those involving biodiesel and petro-diesel.

要安全地处理、运输和储存易燃或可燃液体,如生物柴油及其混合物,必须了解一些物理化学特性。闪点是一个重要指标,因为它与混合燃料的可燃性有关。它可以通过开杯或闭杯标准程序进行实验测量。不过,由于多组分系统的实验数据通常很少,因此开发一个预测混合物闪点的模型很有意义。为此,有几种可行的方法,包括数据经验回归法、基于蒸汽压的方法和 QSPR。就混合物而言,最常用的建模方法是基于蒸汽压的方法,通常采用 LeChatelier 规则和汽液平衡 (VLE) 计算来预测闪点。一般采用 γ-φ 方法来描述 VLE 行为,但也有一些学者对 φ-φ 方法表示出兴趣。近年来,针对混合物 FP 预测的 QSPR 研究得到了发展,这代表着向更通用的 FP 预测模型迈进。此外,COSMO 类型的模型在 FP 预测中也越来越受到关注,这些模型通常与蒸汽压模型甚至经验模型相关联。不过,就生物柴油而言,自 2014 年以来进展不大,仅发表了几篇论文。本文旨在回顾一般混合物 FP 预测方法的进展,同时关注涉及生物柴油和石油柴油的预测方法。
{"title":"Mixture Flash Point Calculation: Recent Advances and a Closer Look at Biodiesel","authors":"Débora Costa do Nascimento,&nbsp;Maurício Prado de Omena Souza,&nbsp;Laura de Oliveira Hentges,&nbsp;Rafael Macedo Dias,&nbsp;Antonio Marinho Barbosa Neto and Mariana Conceição da Costa*,&nbsp;","doi":"10.1021/acs.chas.3c00089","DOIUrl":"10.1021/acs.chas.3c00089","url":null,"abstract":"<p >To safely handle, transport, and store flammable or combustible liquids, such as biodiesel and its blends, it is important to have knowledge of a few physical-chemical properties. The Flash Point is an important one, as it is related to the flammability of the fuel blend. It can be experimentally measured through open cup or closed cup standard procedures. However, due to the usual scarcity of experimental data for multicomponent systems, developing a model to predict flash points of mixtures is of interest. To do so, there are a few possible approaches, which include empirical regression of data, vapor pressure-based methods, and QSPR. When it comes to mixtures, the most popular modeling method is based on vapor pressure, which usually employs LeChatelier’s rule and vapor–liquid equilibria (VLE) calculations to flash point prediction. Generally, a γ–φ approach is adopted to describe the VLE behavior, although some authors have shown interest in φ–φ approaches. In recent years, studies on QSPR for FP prediction of mixtures have evolved, which represents an advance toward more generalized FP prediction models. Additionally, COSMO type models have been gaining attention in FP prediction, usually associated with vapor pressure models or even empirical models. When it comes to biodiesel though, not much progress has been made since 2014, with just a few works being published since then. This paper seeks to review advances made in FP prediction methods for mixtures in general, while giving attention to those involving biodiesel and petro-diesel.</p>","PeriodicalId":73648,"journal":{"name":"Journal of chemical health & safety","volume":"31 1","pages":"22–43"},"PeriodicalIF":0.0,"publicationDate":"2024-01-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139410493","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
Explosion in a Chemical Plant Producing Methyltris(methylethylketoxime)silane and Vinyltris(methylethylketoxime)silane from 2-Butanone Oxime 从 2-丁酮肟生产甲基三(甲基乙基酮肟)硅烷和乙烯基三(甲基乙基酮肟)硅烷的化工厂发生爆炸
Pub Date : 2024-01-04 DOI: 10.1021/acs.chas.3c00047
Yuchong Gao, Jie Liu, Gending Yu, Lei Wang, Zhikun Huang, Rui Li, Lingzhu Gong, Jiulai Huang, Jiale Huang* and Yih-Shing Duh*, 

On August 3, 2020, a disastrous explosion demolished the Lanhua Organosilicone Ltd. plant in Xiantao county, China, causing six deaths, four injuries, and a loss exceeding US$2 million. We performed an extensive case study with differential scanning calorimetry (DSC) and accelerating rate calorimetry (ARC). The calorimetric methodology can obtain thermal hazard data, such as the exothermic onset temperature, enthalpy change, maximum temperature, maximum self-heat rate, maximum pressure, maximum pressure-rising rate, adiabatic temperature rise, and time-to-maximum rate. The ARC assessed a simulation of the incident vessel by storing the product solution of vinyltris(methylethylketoxime)silane with a thermal inertia of 1.87. The thermal runaway phenomena can be scaled up directly to an industrial vessel with good adiabaticity under such low thermal inertia. An official report announced the time of explosion as 33.2 h, which agreed with the ARC-determined time-to-maximum-rate (TMR) of 28.7 h. A (dT dt–1)max is as high as 801.4 °C min–1, revealing that once the decomposition goes through the critical point, the severe thermal runaway cannot be mitigated or hindered effectively. Therefore, the explosion of the process vessel shows that the maximum pressure under thermal decomposition largely exceeded the design pressure of static tank #1 without adequate relief under overpressure. This paper not only provides a lesson learned for producing chemical products using 2-butanone oxime and alkyl silane but also stands as a guide for an inherently safer processes in similar chemical industries.

2020 年 8 月 3 日,位于中国仙桃县的蓝华有机硅有限公司工厂发生灾难性爆炸,造成 6 人死亡,4 人受伤,损失超过 200 万美元。我们利用差示扫描量热法(DSC)和加速速率量热法(ARC)进行了广泛的案例研究。量热法可获得热危害数据,如放热起始温度、焓变、最高温度、最大自热速率、最大压力、最大压力上升速率、绝热温升和达到最大速率的时间。ARC 评估了通过储存热惯性为 1.87 的乙烯基三(甲基乙基酮肟)硅烷产品溶液对事故容器进行的模拟。在如此低的热惯性下,热失控现象可以直接放大到绝热性良好的工业容器中。官方报告公布的爆炸时间为 33.2 小时,与 ARC 确定的最大速率时间(TMR)28.7 小时相吻合,最大速率(dT dt-1)高达 801.4 ℃ min-1,表明一旦分解超过临界点,就无法有效缓解或阻止严重的热失控。因此,工艺容器的爆炸表明,热分解下的最大压力大大超过了 1 号静压罐的设计压力,而超压下没有足够的泄压措施。本文不仅为使用 2-丁酮肟和烷基硅烷生产化工产品提供了经验教训,而且也为类似化工行业采用更安全的固有工艺提供了指导。
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引用次数: 0
ZnO2/CNT Nanocomposite-Based Electrochemical Sensors for the Detection of Trinitrotoluene 用于检测三硝基甲苯的 ZnO2/CNT 纳米复合材料电化学传感器
Pub Date : 2023-12-29 DOI: 10.1021/acs.chas.3c00096
Bharti Sharma, Shikha Jain, Sandeep Kumar and Neeraj Dilbaghi*, 

Global pollution of soil and water supplies due to the leftover dumping of nitroexplosives is a critical issue. Increasing mining and construction activity leads to a significant growth in the trinitrotoluene (TNT) market, making it a lethal contaminant that should be detected early to prevent consumption. Here, in this work, a highly sensitive voltammetric trinitrotoluene (TNT) sensor has been fabricated by modifying a gold electrode (AuE) with a ZnO2/carbon nanotube (CNT) nanocomposite (ZnO2/CNT@AuE). The ZnO2/CNT nanocomposite was synthesized by the coprecipitation method. Morphological and chemical analyses of the synthesized nanostructure was done through different high-end characterization techniques [Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), scanning electron microscopy (SEM), and transmission electron microscopy (TEM)]. The electrocatalytic reduction behavior of the electrochemical probe, ZnO2/CNT@AuE, toward TNT was studied in phosphate buffer solution (PBS, pH 7.0) using cyclic voltammetry (CV) and electrochemical impedance spectroscopy (EIS) techniques. The ZnO2/CNT nanocomposite deposited on the electrode surface improves the conductivity and active sites for electrocatalytic reduction, significantly enhancing the designed sensor’s performance. The fabricated sensor exhibited an outstanding sensing performance and a rapid response when exposed to TNT with a higher sensitivity (80.53 μA cm–2 μM–1) and a lower detection limit (3.4 nM). In addition to the excellent efficacy, the newly developed sensor showed high reproducibility and long-term stability on repeated use. The sensor detects TNT over a wide linear range (4–500 nm) and has good anti-interference capabilities. The ZnO2/CNT@AuE probe has been applied successfully to detect TNT in real water samples. Moreover, electrochemical applications can be expanded by implementing the present electrochemical strategy.

硝基炸药的残留倾倒对全球土壤和水源造成了严重污染。采矿和建筑活动的增加导致三硝基甲苯(TNT)市场大幅增长,使其成为一种致命的污染物,应及早检测以防止其被消耗。在这项工作中,通过用 ZnO2/碳纳米管(CNT)纳米复合材料(ZnO2/CNT@AuE)改性金电极(AuE),制造出了一种高灵敏度的伏安法三硝基甲苯(TNT)传感器。ZnO2/CNT 纳米复合材料是通过共沉淀法合成的。通过不同的高端表征技术[傅立叶变换红外光谱(FTIR)、X 射线衍射(XRD)、扫描电子显微镜(SEM)和透射电子显微镜(TEM)]对合成的纳米结构进行了形态和化学分析。利用循环伏安法(CV)和电化学阻抗谱(EIS)技术研究了电化学探针 ZnO2/CNT@AuE 在磷酸盐缓冲溶液(PBS,pH 7.0)中对 TNT 的电催化还原行为。沉积在电极表面的 ZnO2/CNT 纳米复合材料提高了电导率和电催化还原的活性位点,显著增强了所设计传感器的性能。当暴露于 TNT 时,制备的传感器表现出卓越的传感性能和快速反应能力,灵敏度更高(80.53 μA cm-2 μM-1),检出限更低(3.4 nM)。除了卓越的功效外,新开发的传感器在重复使用时还表现出较高的重现性和长期稳定性。该传感器可在较宽的线性范围(4-500 nm)内检测 TNT,并具有良好的抗干扰能力。ZnO2/CNT@AuE 探头已成功应用于检测真实水样中的 TNT。此外,通过实施本电化学策略,还可扩展电化学应用。
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引用次数: 0
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