Abstract
Occupational Exposure Limits (OELs) are representing the amount of a workplace health hazard that most workers can be exposed to without harming their health. In this work, a new Quantitative Structure Property Relationships (QSPR) model to estimate occupational exposure limits values has been developed. The model was developed based on a set of 100 exposure limit values, which were published by the American Conference of Governmental Industrial Hygienists (ACGIH). MATLAB software was employed to develop the model based on a combination between Multiple Linear Regression (MLR) and polynomial models. The results showed that the model is able to predict the exposure limits with high accuracy, R 2 = 0.9998. The model can be considered scientifically useful and convenient alternative to experimental assessments.
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References
Ong, C.N.: Reference values and action levels of biological monitoring in occupational exposure. Toxicol. Lett. 108, 127–135 (1999)
Weisburger, E.K.: History and background of the Threshold Limit Value Committee of the American Conference of Governmental Industrial Hygienists. Chem. Heath. Saf. 8, 10–12 (2001)
Yaws, C.L.: Yaws’ Handbook of Thermodynamic and Physical Properties of Chemical Compounds. Knovel (2003)
Corrêa, R.O., Telles, A.S., Ourique, J.E.: A graph-structural method for prediction of polymer properties. Br. J. Chem. Eng. 21, 621–628 (2004)
Suzuki, T., Ohtaguchi, K., Koide, K.: A Method for Estimating Flash Points of Organic Compounds from Molecular Structures. J. Chem. Eng. Jap. 24, 258–261 (1991)
Katritzky, A.R., Petrukhin, R., Jain, R., Karelson, M.: QSPR Analysis of Flash Points. J. Chem. Inf. Comput. Sci. 41, 1521–1530 (2001)
Wang, K., Du, Z., Wang, J.: A new method for predicting the flashpoints of organic compounds from the information of molecular component. Bull. Sci. Technol. 18, 235–239 (2002)
Albahri, T.A.: Flammability characteristics of pure hydrocarbons. Chem. Eng. Sci. 58, 3629–3641 (2003)
Albahri, T.A.: MNLR and ANN structural group contribution methods for predicting the flash point temperature of pure compounds in the transportation fuels range. Process Saf. Environ. Prot. (in press)
Brooke, E.M., Jurs, P.C.: Prediction of Autoignition Temperatures of Organic Compounds from Molecular Structure. J. Chem. Inf. Comput. Sci. 37, 538–547 (1997)
Pan, Y., Jiang, J., Wang, R., Cao, H., Cui, Y.: A novel QSPR model for prediction of lower flammability limits of organic compounds based on support vector machine. J. Hazard. Mater. 168, 962–969 (2009)
Chen, C.C., Liaw, H.J., Kuo, Y.Y.: Prediction of autoignition temperatures of organic compounds by the structural group contribution approach. J. Hazard. Mater. 162, 746–762 (2009)
Jingjie, S., Liping, C., Wanghua, C.: Prediction on the Auto-ignition Temperature Using Substructural Molecular Fragments. Pro. Eng. 84, 879–886 (2014)
Gharagheizi, F.: An accurate model for prediction of autoignition temperature of pure compounds. J. Hazard. Mater. 189, 211–221 (2011)
Gharagheizi, F.: Prediction of upper flammability limit percent of pure compounds from their molecular structures. J. Hazard. Mater. 167, 507–510 (2009)
Gharagheizi, F.: A QSPR model for estimation of lower flammability limit temperature of pure compounds based on molecular structure. J. Hazard. Mater. 169, 217–220 (2009)
Gharagheizi, F.: A new group contribution-based model for estimation of lower flammability limit of pure compounds. J. Hazard. Mater. 170, 595–604 (2009)
Lazzús, J.A.: Neural network/particle swarm method to predict flammability limits in air of organic compounds. Thermochim. Acta. 512, 150–156 (2011)
Rowley, J.R., Rowley, R.L., Wilding, W.V.: Estimation of the lower flammability limit of organic compounds as a function of temperature. J. Hazard. Mater. 18(1), 551–557 (2011)
Whaley, D.A., Attfield, M.D., Bedillion, E.J., Walter, K.M., Quilong, Y.: Regression Method to Estimate Provisional TLV/WEEL-equivalents for Non-carcinogens. Ann. Occup. Hyg. 44, 361–374 (2000)
Debia, M., Krishnan, K.: Quantitative property–property relationships for computing Occupational Exposure Limits and Vapour Hazard Ratios of organic solvents. SAR QSAR Environ. Res. 21, 583–601 (2010)
United States Environmental Protection Agency: EPA Toxicology Handbook. Government Institutes, Inc., Rockville (1986)
Kleandrova, V.V., Speck-Planche, A.: Regulatory issues in management of chemicals in OECD member countries. Fron. in Biosc. E5, 375–398 (2013)
Valderrama, J.O., Robles, P.A.: Critical properties, normal boiling temperatures, and acentric factors of fifty ionic liquids. Ind. Eng. Chem. Res. 46, 1338–1344 (2007)
Chatterjee, S., Hadi, A.S.: Regression Analysis by Example, 4th edn. John Wiley, New York (2006)
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El-Harbawi, M., Trang, P.T.K. (2016). Development of Mathematical Model Using Group Contribution Method to Predict Exposure Limit Values in Air for Safeguarding Health. In: Kim, J., Geem, Z. (eds) Harmony Search Algorithm. Advances in Intelligent Systems and Computing, vol 382. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-662-47926-1_38
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DOI: https://doi.org/10.1007/978-3-662-47926-1_38
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