Establishing short-term occupational exposure limits (STELs) for sensory irritants using predictive and in silico respiratory rate depression (RD₅₀) models

References

• Aakash A, Nabi D. 2023. Reliable prediction of sensory irritation threshold values of organic compounds using new models based on linear free energy relationships and GC × GC retention parameters. Chemosphere. 313:137339. eng. doi:10.1016/j.chemosphere.2022.137339.
   PubMed Web of Science ®Google Scholar
• Abraham M, Sánchez-Moreno R, Gil-Lostes J, Cometto m J, Cain W. 2010. Chapter 25, Physicochemical modeling of sensory irritation in humans and experimental animals. In: Toxicology of the nose and upper airways. San Diego (CA): UC San Diego; p. 376–389.
   Google Scholar
• [ACGIH] American Conference of Governmental Industrial Hygenists. 2020. Operations manual threshold limit (TLV) for chemical substances committee. Last Revised: 2020 Nov 7. Cincinnati (OH): American Conference of Governmental Industrial Hygenists. [accessed 2023 Apr 17]. https://www.acgih.org/wp-content/uploads/2021/02/Operations-Manual-TLV-CS_11-7-2020.pdf.
   Google Scholar
• Alarie Y, Nielsen G, Andonian-Haftvan J, Abraham M. 1995. Physicochemical properties of nonreactive volatile organic chemicals to estimate RD50: alternatives to animal studies. Toxicol Appl Pharmacol. 134(1):92–99. eng. doi:10.1006/taap.1995.1172.
   PubMed Web of Science ®Google Scholar
• Alarie Y, Schaper M, Nielsen G, Abraham M. 1996. Estimating the sensory irritating potency of airborne nonreactive volatile organic chemicals and their mixtures. SAR QSAR Environ Res. 5(3):151–165. eng. doi:10.1080/10629369608032986.
   PubMedGoogle Scholar
• Alarie Y, Schaper M, Nielsen G, Abraham M. 1998. Structure-activity relationships of volatile organic chemicals as sensory irritants. Arch Toxicol. 72(3):125–140. eng. doi:10.1007/s002040050479.
   PubMed Web of Science ®Google Scholar
• Alarie Y. 1966. Irritating properties of airborne materials to the upper respiratory tract. Arch Environ Health. 13(4):433–449. eng. doi:10.1080/00039896.1966.10664593.
   PubMed Web of Science ®Google Scholar
• Alarie Y. 1973. Sensory irritation by airborne chemicals. CRC Crit Rev Toxicol. 2(3):299–363. eng. doi:10.3109/10408447309082020.
   PubMedGoogle Scholar
• Alarie Y. 1981. Bioassay for evaluating the potency of airborne sensory irritants and predicting acceptable levels of exposure in man. Food Cosmet Toxicol. 19(5):623–626. eng. doi:10.1016/0015-6264(81)90513-7.
   PubMedGoogle Scholar
• [ASTM] American Society for testing and materials. 1984. Standard test method for estimating sensory irritancy of airborne chemicals.
   Google Scholar
• [ASTM] American Society for Testing and Materials. 2019. E981-19 standard test method for estimating sensory irritancy of airborne chemicals. Last Updated: 2019 Mar 11.
   Google Scholar
• Berge W, Zwart A, Appelman L. 1986. Concentration—time mortality response relationship of irritant and systemically acting vapours and gases. J Hazard Mat’ls. 13(3):301–309. doi:10.1016/0304-3894(86)85003-8.
   Web of Science ®Google Scholar
• Bos P, Busschers M, Arts J. 2002. Evaluation of the sensory irritation test (Alarie test) for the assessment of respiratory tract irritation. J Occup Environ Med. 44(10):968–976. eng. doi:10.1097/00043764-200210000-00017.
   PubMed Web of Science ®Google Scholar
• Bos P, Zwart A, Reuzel P, Bragt P. 1991. Evaluation of the sensory irritation test for the assessment of occupational health risk. Crit Rev Toxicol. 21(6):423–450. eng. doi:10.3109/10408449209089882.
   PubMed Web of Science ®Google Scholar
• Brüning T, Bartsch R, Bolt H, Desel H, Drexler H, Gundert-Remy U, Hartwig A, Jäckh R, Leibold E, Pallapies D, et al. 2014. Sensory irritation as a basis for setting occupational exposure limits. Arch Toxicol. 88(10):1855–1879. eng. doi:10.1007/s00204-014-1346-z.
   PubMed Web of Science ®Google Scholar
• Dalton P. 2001. Evaluating the human response to sensory irritation: implications for setting occupational exposure limits. AIHA J. 62(6):723–729. eng. doi:10.1202/0002-8894(2001)062<0723:ETHRTS>2.0.CO;2.
   PubMedGoogle Scholar
• Dearden J, Schüürmann G. 2003. Quantitative structure-property relationships for predicting henry’s law constant from molecular structure. Environ Toxicol Chem. 22(8):1755–1770. doi:10.1897/01-605.
   PubMed Web of Science ®Google Scholar
• Dearden J. 2003. Quantitative structure-property relationships for prediction of boiling point, vapor pressure, and melting point. Environ Toxicol Chem. 22(8):1696–1709. eng. doi:10.1897/01-363.
   PubMed Web of Science ®Google Scholar
• Deveau M, Chen C, Johanson G, Krewski D, Maier A, Niven K, Ripple S, Schulte P, Silk J, Urbanus J, et al. 2015. The global landscape of occupational exposure limits–implementation of harmonization principles to guide limit selection. J Occup Environ Hyg. 12(sup1):S127–S144. eng. doi:10.1080/15459624.2015.1060327.
   PubMedGoogle Scholar
• Dudek B, Short R, Brown M, Roloff M. 1992. Structure-activity relationship of a series of sensory irritants. J Toxicol Environ Health. 37(4):511–518. eng. doi:10.1080/15287399209531689.
   PubMed Web of Science ®Google Scholar
• [EC] European Commission. 2017. Directorate-general for employment, social affairs and inclusion, methodology for derivation of occupational exposure limits of chemical agents – the general decision-making framework of the scientific committee on occupational exposure limits (SCOEL), Publications Office. [accessed 2023 Mar 25]. doi: https://doi.org/10.2767/435199.
   Google Scholar
• [EPA] Environmental Protection Agency. 2001. Standard operating procedures for developing acute exposure guideline levels for hazardous chemicals. Washington (DC): U.S. Environmental Protection Agency. [accessed 2023 Mar 25] https://www.epa.gov/sites/default/files/2015-09/documents/sop_final_standing_operating_procedures_2001.pdf.
   Google Scholar
• Ernstgård L, Iregren A, Sjögren B, Johanson G. 2006. Acute effects of exposure to vapours of acetic acid in humans. Toxicol Lett. 165(1):22–30. doi:10.1016/j.toxlet.2006.01.010.
   PubMed Web of Science ®Google Scholar
• Ferguson J, Clark A. 1939. The use of chemical potentials as indices of toxicity. Proc R Soc London Ser B – Biol Sci. 127(848):387–404.
   Google Scholar
• Frank E, Haber L, Genter M, Maier A. 2018. Defining molecular initiating events of airway sensory irritation in support of predictive testing approaches. Appl in Vitro Toxicol. 4(4)
   Google Scholar
• Gaffney S, Paustenbach DJ. 2007. A proposed approach for setting occupational exposure limits for sensory irritants based on chemosensory models. Ann Occup Hyg. 51(4):345–356. eng.
   PubMed Web of Science ®Google Scholar
• Gagnaire F, Azim S, Simon P, Cossec B, Bonnet P, De Ceaurriz J. 1993. Sensory and pulmonary irritation of aliphatic amines in mice: a structure-activity relationship study. J Appl Toxicol. 13(2):129–135. eng. doi:10.1002/jat.2550130210.
   PubMed Web of Science ®Google Scholar
• Gupta S, Basant N, Singh K. 2015. Estimating sensory irritation potency of volatile organic chemicals using QSARs based on decision tree methods for regulatory purpose. Ecotoxicology. 24(4):873–886. eng. doi:10.1007/s10646-015-1431-y.
   PubMed Web of Science ®Google Scholar
• Hansen L, Nielsen G. 1994. Sensory irritation, pulmonary irritation and structure-activity relationships of alcohols. Toxicology. 88(1–3):81–99. eng. doi:10.1016/0300-483x(94)90112-0.
   PubMed Web of Science ®Google Scholar
• Hougaard KS, Jensen ACØ, Sørli JB. 2023. Correlation between inhibition of lung surfactant function in vitro and rapid reduction in tidal volume following exposure to plant protection products in mice. Toxicology. 492:153546. doi:10.1016/j.tox.2023.153546.
   PubMed Web of Science ®Google Scholar
• Jarabek AM. 1995. Considerations of temporal toxicity challenges current default assumptions. Inhalation Toxicol. 7(6):927–946. doi:10.3109/08958379509012801.
   Web of Science ®Google Scholar
• Krewski D, Acosta D, Andersen M, Anderson H, Bailar J, Boekelheide K, Brent R, Charnley G, Cheung V, Green S, et al. 2010. Toxicity testing in the 21st century: a vision and a strategy. J Toxicol Environ Health B Crit Rev. 13(2–4):51–138. doi:10.1080/10937404.2010.483176.
   PubMed Web of Science ®Google Scholar
• Krieger S, Auernhammer T, Hotchkiss J, Wilson D. 2021. Mechanistic profiling of inhalation sensory irritants with a computational model for transient receptor potential vanilloid subfamily type 1. Appl in Vitro Toxicol. 7(4)
   Google Scholar
• Kuwabara Y, Alexeeff G, Broadwin R, Salmon A. 2007. Evaluation and application of the RD50 for determining acceptable exposure levels of airborne sensory irritants for the general public. Environ Health Perspect. 115(11):1609–1616. eng. doi:10.1289/ehp.9848.
   PubMed Web of Science ®Google Scholar
• Leung H, Paustenbach D. 1990. Organic acids and bases: review of toxicological studies. Am J Ind Med. 18(6):717–735. eng. doi:10.1002/ajim.4700180610.
   PubMed Web of Science ®Google Scholar
• Luan F, Ma W, Zhang X, Zhang H, Liu M, Hu Z, Fan B. 2006. Quantitative structure-activity relationship models for prediction of sensory irritants (logRD50) of volatile organic chemicals. Chemosphere. 63(7):1142–1153. eng. doi:10.1016/j.chemosphere.2005.09.053.
   PubMed Web of Science ®Google Scholar
• Macina O, Klopman G, Rosenkranz H. 1997. Structural basis of sensory irritation. Inhal Toxicol. 9(5):465–476.
   Web of Science ®Google Scholar
• Nielsen G, Abraham M, Hansen LF, Hammer M, Cooksey C, Andonian-Haftvan J, Alarie Y. 1996. Sensory irritation mechanisms investigated from model compounds: trifluoroethanol, hexafluoroisopropanol and methyl hexafluoroisopropyl ether. Arch Toxicol. 70(6):319–328. eng. doi:10.1007/s002040050281.
   PubMed Web of Science ®Google Scholar
• Nielsen G, Alarie Y. 1982. Sensory irritation, pulmonary irritation, and respiratory stimulation by airborne benzene and alkylbenzenes: prediction of safe industrial exposure levels and correlation with their thermodynamic properties. Toxicol Appl Pharmacol. 65(3):459–477. eng. doi:10.1016/0041-008x(82)90391-x.
   PubMed Web of Science ®Google Scholar
• Nielsen G, Vinggaard A. 1988. Sensory irritation and pulmonary irritation of C3–C7 n-alkylamines: mechanisms of receptor activation. Pharmacol Toxicol. 63(4):293–304. doi:10.1111/j.1600-0773.1988.tb00957.x.
   PubMedGoogle Scholar
• Nielsen G, Wolkoff P, Alarie Y. 2007. Sensory irritation: risk assessment approaches. Regul Toxicol Pharmacol. 48(1):6–18. eng. doi:10.1016/j.yrtph.2006.11.005.
   PubMed Web of Science ®Google Scholar
• Nielsen G, Wolkoff P. 2017. Evaluation of airborne sensory irritants for setting exposure limits or guidelines: a systematic approach. Regul Toxicol Pharmacol. 90:308–317. eng. doi:10.1016/j.yrtph.2017.09.015.
   PubMed Web of Science ®Google Scholar
• Nielsen G, Yamagiwa M. 1989. Structure-activity relationships of airway irritating aliphatic amines. Receptor activation mechanisms and predicted industrial exposure limits. Chem Biol Interact. 71(2–3):223–244. eng. doi:10.1016/0009-2797(89)90037-9.
   PubMed Web of Science ®Google Scholar
• Nielsen GD, Bakbo JC, Holst E. 1984. Sensory irritation and pulmonary irritation by airborne AUyl acetate, auyl alcohol, and allyl ether compared to acrolein. Acta Pharmacol Toxicol (Copenh). 54(4):292–298. doi:10.1111/j.1600-0773.1984.tb01933.x.
   PubMedGoogle Scholar
• [NIOSH] National Institute for Occupational Safety and Health. 2013. Current intelligence bulletin 66: derivation of immediately dangerous to life or health (IDLH) values. Washington (DC): U.S. Department of Health and Human Services; Centers for Disease Control, National Institute for Occupational Safety and Health. [accessed 2023 Mar 25] file:///C:/Users/vballantyne/Downloads/cdc_20861_DS1.pdf.
   Google Scholar
• [NRC] National Research Council. 2007. Nutrient requirements of small ruminants: sheep, goats, cervids, and new world camelids. Washington, DC: National Academies Press.
   Google Scholar
• [NTP] National Toxicology Program. 2015. Annual report for fiscal year 2015.
   Google Scholar
• OSHA. 2006. OSHA annotated table Z-1. Permissible exposure limits - annotated tables. Washington (DC): Occupational Safety and Health Administration. [accessed 2023 Mar 15]. https://www.osha.gov/annotated-pels/table-z-1#notes.
   Google Scholar
• Raevsky O, Grigor’ev V, Liplavskaya E, Worth A. 2011. Prediction of acute rodent toxicity on the basis of chemical structure and physicochemical similarity. Mol Inform. 30(2–3):267–275. doi:10.1002/minf.201000145.
   PubMed Web of Science ®Google Scholar
• Schaper M. 1993. Development of a database for sensory irritants and its use in establising occupational exposure limits. Am Ind Hyg Assoc J. 54(9):488–544. doi:10.1080/15298669391355017.
   PubMed Web of Science ®Google Scholar
• Shusterman D, Matovinovic E, Salmon A. 2006. Does Haber’s law apply to human sensory irritation? Inhal Toxicol. 18(7):457–471. eng. doi:10.1080/08958370600602322.
   PubMed Web of Science ®Google Scholar
• Steinhagen W, Barrow C. 1984. Sensory irritation structure-activity study of inhaled aldehydes in B6C3F1 and Swiss-Webster mice. Toxicol Appl Pharmacol. 72(3):495–503. doi:10.1016/0041-008x(84)90126-1.
   PubMed Web of Science ®Google Scholar
• Talavera K, Startek J, Alvarez-Collazo J, Boonen B, Alpizar Y, Sanchez A, Naert R, Nilius B. 2020. Mammalian transient receptor potential TRPA1 channels: from structure to disease. Physiol Rev. 100(2):725–803. doi:10.1152/physrev.00005.2019.
   PubMed Web of Science ®Google Scholar
• Veith G, Petkova E, Wallace K. 2009. A baseline inhalation toxicity model for narcosis in mammals. SAR QSAR Environ Res. 20(5–6):567–578. doi:10.1080/10629360903278669.
   PubMed Web of Science ®Google Scholar
• Vincent M, Bernstein JA, Basketter D, LaKind J, Dotson G, Maier A. 2017. Chemical-induced asthma and the role of clinical, toxicological, exposure and epidemiological research in regulatory and hazard characterization approaches. Regul Toxicol Pharmacol. 90:126–132. eng. doi:10.1016/j.yrtph.2017.08.018.
   PubMed Web of Science ®Google Scholar
• Wehr M, Sarang S, Rooseboom M, Boogaard P, Karwath A, Escher S. 2022. RespiraTox - Development of a QSAR model to predict human respiratory irritants. Regul Toxicol Pharmacol. 128:105089. eng. doi:10.1016/j.yrtph.2021.105089.
   PubMed Web of Science ®Google Scholar
• Wickham H. 2016. ggplot2: elegant graphics for data analysis. New York (NY): Springer-Verlag; [accessed 2023 Mar 25]. https://ggplot2.tidyverse.org.
   Google Scholar