Journal of chemical health & safety最新文献

{"title":"Managing NDSRIs in Pharmaceuticals: Integrating Structural Risk Assessment and Mitigation Strategies","authors":"Wisut Wichitnithad,&nbsp;, ,&nbsp;Pornpoom Angsuwattana,&nbsp;, ,&nbsp;Binbin Yu,&nbsp;, ,&nbsp;Worathat Thitikornpong,&nbsp;, and ,&nbsp;Pornchai Rojsitthisak*,&nbsp;","doi":"10.1021/acs.chas.6c00012","DOIUrl":"https://doi.org/10.1021/acs.chas.6c00012","url":null,"abstract":"<p >The emergence of nitrosamine drug-substance-related impurities (NDSRIs) has presented a complex and evolving challenge to pharmaceutical manufacturing and regulatory oversight. Unlike traditional nitrosamines, NDSRIs may form through multiple pathways involving active pharmaceutical ingredients (APIs), synthetic intermediates, excipients, packaging components, and degradation processes. This review integrates the current understanding of NDSRI formation with implications for pharmaceutical process development, impurity control, and lifecycle risk mitigation. Key structural alerts, including secondary and tertiary amines, piperazines, and hydrazines, are discussed in relation to nitrosating agents, oxidative stressors, and solid-state properties. Special attention is given to precursor-derived and degradation-induced nitrosation, polymorphic variability, and moisture sensitivity, all of which influence NDSRI formation during both the synthesis and formulation stages. Case examples in high-risk therapeutic classes (e.g., antihypertensive drugs, antimicrobial agents, and antidiabetic agents) illustrate diverse routes of NDSRI formation and control opportunities. Mitigation strategies are outlined, including synthetic route design, excipient selection and precursor control, crystallization optimization, and storage conditions, all framed within a tiered, life-cycle-based risk management model aligned with ICH Q9(R1), ICH Q10, and the Carcinogenic Potency Categorization Approach (CPCA). The role of in silico tools, including structure–activity relationships (SAR), quantitative SAR (QSAR), and machine learning (ML), is emphasized in supporting nitrosation risk prediction and acceptable intake (AI) estimation.</p>","PeriodicalId":73648,"journal":{"name":"Journal of chemical health & safety","volume":"33 3","pages":"350–370"},"PeriodicalIF":3.4,"publicationDate":"2026-05-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acs.chas.6c00012","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148010861","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}

{"title":"The Practicalities of Studying Phosgene at a Neutron Source: Safety, Collaboration, and Lessons Learned","authors":"Sven Ringelband,&nbsp;, ,&nbsp;Frank Tambornino,&nbsp;, ,&nbsp;Ethan Baker,&nbsp;, ,&nbsp;Jason Chandler,&nbsp;, ,&nbsp;A. Dominic Fortes,&nbsp;, ,&nbsp;Chris Goodway,&nbsp;, ,&nbsp;Kimberley Greenough,&nbsp;, ,&nbsp;Ian Hickman,&nbsp;, ,&nbsp;Christopher M. Howard,&nbsp;, ,&nbsp;Stewart F. Parker*,&nbsp;, ,&nbsp;Maksim Schastny,&nbsp;, and ,&nbsp;James D. Taylor*,&nbsp;","doi":"10.1021/acs.chas.5c00220","DOIUrl":"https://doi.org/10.1021/acs.chas.5c00220","url":null,"abstract":"<p >Phosgene (carbonyl dichloride, COCl₂) has a well-deserved reputation as an extremely toxic gas. However, it is widely used in industry, principally for the production of isocyanates, key intermediates in polyurethane manufacture. Comparatively little is known about the solid state of phosgene. This article describes the processes that went into enabling <i>ca</i>. 10 g of phosgene to be safely produced, measured by neutron powder diffraction and neutron vibrational spectroscopy, and appropriately disposed of. The factors that allowed these operations to be carried out at the ISIS Neutron and Muon Source are discussed, and the lessons learned for future work with hazardous materials are described.</p>","PeriodicalId":73648,"journal":{"name":"Journal of chemical health & safety","volume":"33 3","pages":"442–449"},"PeriodicalIF":3.4,"publicationDate":"2026-05-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acs.chas.5c00220","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148010167","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}

{"title":"Modeling Time-Dependent Chemical Concentrations in Confined Spaces for General Safety Applications","authors":"Diya Godavarti,&nbsp;, ,&nbsp;Waynell Simbafo,&nbsp;, ,&nbsp;John Pederson*,&nbsp;, ,&nbsp;Jenny Houlroyd,&nbsp;, and ,&nbsp;Pamela Pollet*,&nbsp;","doi":"10.1021/acs.chas.6c00021","DOIUrl":"https://doi.org/10.1021/acs.chas.6c00021","url":null,"abstract":"<p >Enclosed spaces with little to no ventilation present significant chemical exposure risks in many occupational environments. This study develops and verifies an open-source computational fluid dynamics (CFD)-based diffusion model to predict vapor-phase transient concentrations as a function of time and geometry-specific context. Our contribution is to make foundational diffusion-based exposure models accurate, reliable, and broadly accessible to nonspecialists. A combined mesh and time-step refinement study was performed to evaluate the convergence of observables (i.e., concentrations and time) for diffusion-based simulations. Simulations tracked vapor front progression of benzene, a carcinogen, and our selected model compound using its OSHA Short-Term Exposure Limit (STEL) of 5 ppm in the headspace of a truck tank. We compare our model with results from the analytical semi-infinite medium solution. The diffusion model aligned closely with the analytical solution at early times but diverged later due to transverse diffusion resulting from the space-specific geometry. Additionally, we report analyses that quantified deviations as well as posture-dependent exposure timelines. Sensitivity analyses of varying temperatures and liquid pool heights were also performed. These findings underscore the importance of transient, geometry-conscious modeling for risk assessment, complementing and informing physical sampling needs, and ventilation strategies. By relying on open-source software like OpenFOAM and shareable code, this work expands the CFD-based exposure modeling beyond specialized commercial environments, moving toward a more practical use in public and noncontrolled situations.</p>","PeriodicalId":73648,"journal":{"name":"Journal of chemical health & safety","volume":"33 3","pages":"516–527"},"PeriodicalIF":3.4,"publicationDate":"2026-05-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acs.chas.6c00021","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148010189","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}

{"title":"Smart Acrylic Coating, Incorporated with PAN/MOF/CNT Composite, for Real-Time and Noncontact Detection of Accidental Acid/Base Contamination","authors":"Jahyun Nam,&nbsp;, ,&nbsp;Jina Yang,&nbsp;, ,&nbsp;Kyung-Min Yeon*,&nbsp;, and ,&nbsp;Jungbae Kim*,&nbsp;","doi":"10.1021/acs.chas.5c00182","DOIUrl":"https://doi.org/10.1021/acs.chas.5c00182","url":null,"abstract":"<p >A smart acrylic coating, functionalized with a nanocomposite of polyaniline (PAN), a metal–organic framework (MOF), and carbon nanotubes (CNT), is developed as an intelligent engineering control for the real-time, noncontact detection of chemical hazards. The coating provides a dual-signal response to acid/base contamination, exhibiting a reversible, pH-dependent color shift, while simultaneously generating measurable surface-voltage fluctuations. Formulated for practical application in a commercial water-borne acrylic matrix, the coating is demonstrated to be safe and durable, with low volatile organic compound emissions (0.055 mg/m² h) and acceptable color stability (Δ<i>E</i> &lt; 4 after a month). The system shows electrical signals to chemical spills, with the surface voltage increasing from a 4.5 mV baseline to 184 mV upon acid contact and −50 mV upon ammonia exposure. The versatility of the core technology is further demonstrated in a passive near field communication tag, which functions as a chemi-responsive switch for nonline-of-sight detection within confined spaces. This work validates a multimodal sensing technology across multiple platforms, presenting a significant advancement in proactive engineering controls for chemical safety.</p>","PeriodicalId":73648,"journal":{"name":"Journal of chemical health & safety","volume":"33 3","pages":"395–406"},"PeriodicalIF":3.4,"publicationDate":"2026-05-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acs.chas.5c00182","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148010224","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}

{"title":"Chemical Safety Culture in Academic Laboratories: Insights and Challenges from Brazilian HEI","authors":"Patricia B. Di Vitta,&nbsp;, ,&nbsp;Helena C. Junqueira,&nbsp;, ,&nbsp;Alessandra A. A. de Sousa,&nbsp;, ,&nbsp;Artur M. Correia,&nbsp;, ,&nbsp;David B. de Oliveira,&nbsp;, and ,&nbsp;Daniel R. Oliveira,&nbsp;","doi":"10.1021/acs.chas.5c00217","DOIUrl":"https://doi.org/10.1021/acs.chas.5c00217","url":null,"abstract":"<p >Chemical laboratory activities pose inherent risks, yet safety awareness in academic settings remains limited. This study reports a long-term initiative at the University of São Paulo’s Institute of Chemistry (IQUSP) to foster chemical safety through training and dissemination activities. From 2020 to 2024, over 3,000 participants received training in risk assessment, chemical management, and protective measures. Results showed improved laboratory practices, while institutional engagement proved essential for sustaining safety culture and replicating the program at other universities.</p>","PeriodicalId":73648,"journal":{"name":"Journal of chemical health & safety","volume":"33 3","pages":"382–388"},"PeriodicalIF":3.4,"publicationDate":"2026-05-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acs.chas.5c00217","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148010307","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}

{"title":"Standalone, Multitier Chemical Safety Curriculum Using RAMP to Support Risk Judgment Development","authors":"Song Liu,&nbsp;, ,&nbsp;Yan Zhao,&nbsp;, and ,&nbsp;Feng Xu*,&nbsp;","doi":"10.1021/acs.chas.6c00007","DOIUrl":"https://doi.org/10.1021/acs.chas.6c00007","url":null,"abstract":"<p >Chemical laboratory safety education in higher education is frequently framed as compliance training, which limits the development of students’ risk judgment. This study presents a stand-alone, credit-bearing chemical safety curriculum structured across general education, undergraduate, and graduate levels, with the explicit goal of supporting risk judgment development through tier-specific instructional emphases. The curriculum adopts the RAMP (<i>Recognize</i>–<i>Assess</i>–<i>Minimize</i>–<i>Prepare</i>) framework as a unifying analytical language to maintain coherence while allowing differentiated instructional emphasis at each educational tier. Introductory courses focus on hazard recognition and conditional risk awareness. Undergraduate courses emphasize interpreting laboratory rules through risk-based reasoning, and graduate courses require integrated judgment and systematic risk assessment in research settings. By positioning laboratory safety as an independent, multitier educational pathway, this framework offers a scalable approach for strengthening both chemical safety education and academic safety culture.</p>","PeriodicalId":73648,"journal":{"name":"Journal of chemical health & safety","volume":"33 3","pages":"479–490"},"PeriodicalIF":3.4,"publicationDate":"2026-05-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acs.chas.6c00007","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148010321","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}

{"title":"Chemical Safety and Security: An Introductory Course for Graduate Students","authors":"Imee S. Martinez*,&nbsp;, ,&nbsp;Roland Goertz,&nbsp;, ,&nbsp;Rohan Perera,&nbsp;, and ,&nbsp;Emily V. Castriciones*,&nbsp;","doi":"10.1021/acs.chas.5c00187","DOIUrl":"https://doi.org/10.1021/acs.chas.5c00187","url":null,"abstract":"<p >A course on Chemical Safety and Security (CSS) was developed in the Institute of Chemistry, University of the Philippines-Diliman, for graduate students. In this course, chemical ethics was emphasized in the context of chemical safety and security. By cultivating a chemical conscience in young chemical practitioners, the aim was to develop a strong chemical safety and security culture not only in the university but also in the country at large. The course provided a short background of various guidelines on the ethical practice of chemistry, which is part and parcel of the Hague Ethical Guidelines. In the introduction of the course, the history of the use of chemical weaponry was discussed, and the dual-use of chemicals and technologies. The bulk of the course was on laboratory safety practices, while a small part was spent on CSS risk assessment. Current laws and regulations in the Philippines, as well as international laws and agreements pertaining to chemicals, were also discussed for the students’ awareness. A special segment was given to the Chemical Weapons Convention (CWC) and the Organization for the Prohibition of Chemical Weapons (OPCW) to introduce chemical weapons nonproliferation and disarmament. This is particularly important to the Philippines, where there is increasing instability in the southern part of the country and the West Philippine Sea. Subsequent offerings of the CSS course evolved to focus on enhancing technical capacity and to highlight the role of chemists in nation-building and fulfilling international agreements. More advanced topics, such as sampling, sample preparation, and instrumental methods of analysis of scheduled substances in the CWC, as well as quality documentation, evidence management, and chain-of-custody, were included. The latest version is a Master Course on CSS focused on the control of hazardous goods-related incidents, specifically Natech, chemical fires, and explosions. Case studies and scenario-based exercises, including laboratory demonstrations and laboratory-based simulations, comprised most of the class activities. The explicit goal was to teach students the ability to link the chemical theory to practical aspects of chemical safety and security. The CSS courses offered were well-received by students, garnering high marks in the Student Evaluation Tests.</p>","PeriodicalId":73648,"journal":{"name":"Journal of chemical health & safety","volume":"33 3","pages":"407–415"},"PeriodicalIF":3.4,"publicationDate":"2026-05-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148010326","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}

{"title":"Standalone, Multitier Chemical Safety Curriculum Using RAMP to Support Risk Judgment Development","authors":"Song Liu,&nbsp;, ,&nbsp;Yan Zhao,&nbsp;, and ,&nbsp;Feng Xu*,&nbsp;","doi":"10.1021/acs.chas.6c00007","DOIUrl":"https://doi.org/10.1021/acs.chas.6c00007","url":null,"abstract":"<p >Chemical laboratory safety education in higher education is frequently framed as compliance training, which limits the development of students’ risk judgment. This study presents a stand-alone, credit-bearing chemical safety curriculum structured across general education, undergraduate, and graduate levels, with the explicit goal of supporting risk judgment development through tier-specific instructional emphases. The curriculum adopts the RAMP (<i>Recognize</i>–<i>Assess</i>–<i>Minimize</i>–<i>Prepare</i>) framework as a unifying analytical language to maintain coherence while allowing differentiated instructional emphasis at each educational tier. Introductory courses focus on hazard recognition and conditional risk awareness. Undergraduate courses emphasize interpreting laboratory rules through risk-based reasoning, and graduate courses require integrated judgment and systematic risk assessment in research settings. By positioning laboratory safety as an independent, multitier educational pathway, this framework offers a scalable approach for strengthening both chemical safety education and academic safety culture.</p>","PeriodicalId":73648,"journal":{"name":"Journal of chemical health & safety","volume":"33 3","pages":"479–490"},"PeriodicalIF":3.4,"publicationDate":"2026-05-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acs.chas.6c00007","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148010198","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}

{"title":"A Hybrid Fine-Kinney and Entropy-Weighted TOPSIS Approach for Risk Prioritization in Chemistry Laboratories","authors":"Mehmet Tunç*,&nbsp; and ,&nbsp;Ramazan Solmaz*,&nbsp;","doi":"10.1021/acs.chas.6c00017","DOIUrl":"https://doi.org/10.1021/acs.chas.6c00017","url":null,"abstract":"<p >The Fine-Kinney method, commonly used in Occupational Health and Safety (OHS), is prone to subjective and inconsistent prioritization since it weights the three parameters of probability (<i>P</i>), exposure (<i>E</i>), and consequence (<i>C</i>) equally and based on expert judgment. In this study, by integrating the Entropy Weighting Method (EWM) and Technique for Order Preference by Similarity to an Ideal Solution (TOPSIS) into the Fine-Kinney method, a systematic analysis framework is presented in which the relative importance of the parameters is determined statistically and produces more balanced results. The study consisted of nine stages: laboratory selection and scope definition, hazard classification and identification with a checklist, selection of relevant hazards for chemistry laboratories, risk scoring with Fine-Kinney, criteria weighting with EWM, risk prioritization with TOPSIS, statistical validation and correlation analysis, sensitivity analysis with seven weighting scenarios, and interpretation of results. The findings of EWM showed that the “<i>C</i>” parameter was the most effective criterion (<i>C</i>, <i>w</i>_j = 0.4214). Sensitivity analysis revealed that rankings remained largely consistent and the method’s susceptibility to subjectivity decreased. The top priority hazards were grouped under the “Fire-Explosion-Emergencies (FIREX)” category; hazards coded H30 and H31 were among the top-10 hazards in all scenarios (100%), while H29 was among the top-10 in 86% of scenarios. This study demonstrates that the Fine-Kinney approach, built on subjective data, can be made more reliable and repeatable with EWM-based TOPSIS, and adds methodological depth to the decision support process in laboratory safety.</p>","PeriodicalId":73648,"journal":{"name":"Journal of chemical health & safety","volume":"33 3","pages":"503–515"},"PeriodicalIF":3.4,"publicationDate":"2026-05-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acs.chas.6c00017","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148010207","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}

{"title":"Improved Exhaust System for Laboratory Work with Fluorine","authors":"Clara Moedl,&nbsp; and ,&nbsp;Ralf Keding*,&nbsp;","doi":"10.1021/acs.chas.5c00122","DOIUrl":"https://doi.org/10.1021/acs.chas.5c00122","url":null,"abstract":"<p >Hydrofluoric acid (HF) is a widely used chemical in laboratories as well as in the glass and ceramics industries. It is valued for its high reactivity; however, it poses significant disadvantages, including high toxicity to humans and corrosive effects on equipment. To prevent damage to laboratory and surrounding equipment as well as to ensure operator safety, an appropriate exhaust ventilation system must be used. Exhaust systems for hydrofluoric acid applications must meet stringent technical standards. Depending on the frequency of use, they may incorporate wet scrubbers, which necessitate considerable energy input and consumption of alkaline neutralizing agents and cause a substantial pressure drop. We here present an easy-to-handle alternative system based on calcium hydroxide honeycomb monoliths (HMs). We calculated and simulated the HF precipitation on the HMs based on thermodynamic data and with finite elements. We considered a liquid HF concentration of up to 50% in use within a standard laboratory fume hood. The HF concentration in the exhaust air after HMs throughflow was measured as well as the pressure drop. Theoretically and experimentally, HF was completely bound to calcium hydroxide HMs. Moreover, we find that the pressure drop in the fume hood was low compared to that of wet scrubbers. Calcium hydroxide HMs are a promising option for adsorbing HF from exhaust gas flows. From the economic viewpoint and from technical and organizational requirements, HMs offer significant benefits over wet scrubbers. Our findings can be directly implemented within experimental laboratories handling HF containing exhaust air.</p>","PeriodicalId":73648,"journal":{"name":"Journal of chemical health & safety","volume":"33 3","pages":"389–394"},"PeriodicalIF":3.4,"publicationDate":"2026-05-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acs.chas.5c00122","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148010221","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}