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Articles

Nano-read-across predictions of toxicity of metal oxide engineered nanoparticles (MeOx ENPS) used in nanopesticides to BEAS-2B and RAW 264.7 cells

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Pages 629-644 | Received 06 Jul 2022, Accepted 30 Sep 2022, Published online: 19 Oct 2022

References

  • Ambure, P., A. Gajewicz-Skretna, M. N. D. Cordeiro, and K. Roy. 2019. “New Workflow for QSAR Model Development from Small Data Sets: small Dataset Curator and Small Dataset Modeler. integration of Data Curation, Exhaustive Double Cross-Validation, and a Set of Optimal Model Selection Techniques.” Journal of Chemical Information and Modeling 59 (10): 4070–4076. doi:10.1021/acs.jcim.9b00476.
  • Baek, S., R. K. Singh, D. Khanal, K. D. Patel, E. J. Lee, K. W. Leong, W. Chrzanowski, and H. W. Kim. 2015. “Smart Multifunctional Drug Delivery towards Anticancer Therapy Harmonized in Mesoporous Nanoparticles.” Nanoscale 7 (34): 14191–14216. doi:10.1039/C5NR02730F.
  • Ball, Nicholas, Mark T. D. Cronin, Jie Shen, Karen Blackburn, Ewan. D. Booth, Mounir Bouhifd, Elizabeth Donley, et al. 2016. “T4 Report: Toward Good Read-across Practice (GRAP) Guidance.” ALTEX 33 (2): 149–166. doi:10.14573/altex.1601251.
  • Banerjee, Arkaprava, Mainak Chatterjee, Priyanka De, and Kunal Roy. 2022. “Quantitative Predictions from Chemical Read-Across and Their Confidence Measures.” Chemometrics and Intelligent Laboratory Systems 227: 104613. doi:10.1016/j.chemolab.2022.104613.
  • Banerjee, A, and K. Roy. 2022. “First Report of q-RASAR Modeling toward an Approach of Easy Interpretability and Efficient Transferability.” Molecular Diversity 26 (5): 2847–2862. doi:10.1007/s11030-022-10478-6.
  • Batista Caixeta, M., P. S. Araújo, B. Gonçalves, L. Damacena Silva, M. I. Grano-Maldonado, and T. Lopes Rocha. 2020. “Toxicity of Engineered Nanomaterials to Aquatic and Land Snails: A Scientometric and Systematic Review.” Chemosphere 260: 127654. doi:10.1016/j.chemosphere.2020.127654.
  • Briffa, J., E. Sinagra, and R. Blundell. 2020. “Heavy Metal Pollution in the Environment and Their Toxicological Effects on Humans.” Heliyon 6(9): e04691. September 2020, doi:10.1016/j.heliyon.2020.e04691.
  • Buchman, J. T., N. V. Hudson-Smith, K. M. Landy, and C. L. Haynes. 2019. “Understanding Nanoparticle Toxicity Mechanisms to Inform Redesign Strategies to Reduce Environmental Impact.” Accounts of Chemical Research 52 (6): 1632–1642. doi:10.1021/acs.accounts.9b00053.
  • Chatterjee, M., A. Banerjee, P. De, A. Gajewicz-Skretna, and K. Roy. 2022. “A Novel Quantitative Read-across Tool Designed Purposefully to Fill the Existing Gaps in Nanosafety Data.” Environmental Science: Nano 9 (1): 189–203. doi:10.1039/D1EN00725D.
  • Colman, M., B. P. Tang, W. Judy, J. D. Anderson, S. M. Bergemann, and E. S. C.M. Bernhardt. 2018b. “Plant and Microbial Responses to Repeated Cu(OH)2nanopesticide Exposures under Different Fertilization Levels in an Agroecosystem Front.” Journal of Microbiology and Biotechnology 9: 1769. doi:10.3389/fmicb.2018.01769.
  • Darlington, R. B. 1990. Regression and Linear Models. McGrawHill, NewYork.
  • De, P., S. Kar, K. Roy, and J. Leszczynski. 2018. “Second Generation Periodic Table-Based Descriptors to Encode Toxicity of Metal Oxide Nanoparticles to Multiple Species: QSTR Modeling for Exploration of Toxicity Mechanisms.” Environmental Science: Nano 5 (11): 2742–2760. doi:10.1039/C8EN00809D.
  • Devillers, J. 1996. Genetic algorithms in molecular modeling. NY: Academic Press.
  • Djurišić, A. B., Y. H. Leung, A. M. Ng, X. Y. Xu, P. K. Lee, N. Degger, and R. S. S. Wu. 2015. “Toxicity of Metal Oxide Nanoparticles: mechanisms, Characterization, and Avoiding Experimental Artefacts.” Small (Weinheim an Der Bergstrasse, Germany) 11 (1): 26–44. doi:10.1002/smll.201303947.
  • EFSA Scientific Committee, 2011. “Guidance on the Risk Assessment of the Application of Nanoscience and Nanotechnologies in the Food and Feed Chain.” European Food Safety Authority 9 (5): 2140. doi:10.2903/j.efsa.2011.2140.
  • Firdaus, M. A. M., A. Agatz, M. E. Hodson, O. S. A. Al-Khazrajy, and A. B. A. Boxall. 2018. “Fate, Uptake, and Distribution of Nanoencapsulated Pesticides in Soil-Earthworm Systems and Implications for Environmental Risk Assessment.” Environmental Toxicology and Chemistry 37 (5): 1420–1429. doi:10.1002/etc.4094.
  • Fojtová, D., J. Vašíčková, R. Grillo, Z. Bílková, Z. Šimek, N. Neuwirthová, M. Kah, and J. Hofman. 2019. “Nanoformulations Can Significantly Affect Pesticide Degradation and Uptake by Earthworms and Plants.” Environmental Chemistry 16 (6): 470–481. doi:10.1071/EN19057.
  • Fraceto, L. F., V. L. S. De Castro, R. Grillo, D. Ávila, H. C. Oliveira, and R. Lima. 2020. Nanopesticides. Cham, Switzerland: Springer International Publishing.
  • Gadaleta, D., G. F. Mangiatordi, M. Catto, A. Carotti, and O. Nicolotti. 2016. “Applicability Domain for QSAR Models: where Theory Meets Reality.” International Journal of Quantitative Structure-Property Relationships 1 (1): 45–63. doi:10.4018/IJQSPR.2016010102.
  • Gajewicz, A. 2017. “Development of Valuable Predictive Read-across Models Based on “Real-Life”(Sparse) Nanotoxicity Data.” Environmental Science: Nano 4 (6): 1389–1403. doi:10.1039/C7EN00102A.
  • Gajewicz, A., M. T. Cronin, B. Rasulev, J. Leszczynski, and T. Puzyn. 2015. “Novel Approach for Efficient Predictions Properties of Large Pool of Nanomaterials Based on Limited Set of Species: nano-Read-across.” Nanotechnology 26 (1): 015701. doi:10.1088/0957-4484/26/1/015701.
  • Ganguly, P., A. Breen, and S. C. Pillai. 2018. “Toxicity of Nanomaterials: Exposure, Pathways, Assessment, and Recent Advances.” ACS Biomaterials Science & Engineering 4 (7): 2237–2275. doi:10.1021/acsbiomaterials.8b00068.
  • Kah, M. 2015. “Nanopesticides and Nanofertilizers: emerging Contaminants or Opportunities for Risk Mitigation?” Frontiers in Chemistry 3: 64. doi:10.3389/fchem.2015.00064.
  • Kookana, Rai. S., Alistair B. A. Boxall, Philip. T. Reeves, Roman Ashauer, Sabine Beulke, Qasim Chaudhry, Geert Cornelis, et al. 2014. “Nanopesticides: guiding Principles for Regulatory Evaluation of Environmental Risks.” Journal of Agricultural and Food Chemistry 62 (19): 4227–4240. doi:10.1021/jf500232f
  • Koppenol, W. H. 2001. “The Haber-Weiss Cycle–70 Years Later.” Redox Report : communications in Free Radical Research 6 (4): 229–234. doi:10.1179/135100001101536373.
  • Liu, R., H. Y. Zhang, Z. X. Ji, R. Rallo, T. Xia, C. H. Chang, A. Nel, and Y. Cohen. 2013. “Development of Structure–Activity Relationship for Metal Oxide Nanoparticles.” Nanoscale 5 (12): 5644–5653. doi:10.1039/C3NR01533E.
  • Mu, Q., G. Jiang, L. Chen, H. Zhou, D. Fourches, A. Tropsha, and B. Yan. 2014. “Chemical Basis of Interactions between Engineered Nanoparticles and Biological Systems.” Chemical Reviews 114 (15): 7740–7781. doi:10.1021/cr400295a.
  • OECD, Guidance of gruping of chemicals, Organisation of Economic Cooperation and Development, Paris, France 2007. 26 OECD, Guidance on Grouping of Chemicals. Series on Testing and Assessment No. 194 (second ed.), Organisation of Economic Cooperation and Development, Paris, France, 2014.
  • Roy, J, and K. Roy. 2021. “Assessment of Toxicity of Metal Oxide and Hydroxide Nanoparticles Using the QSAR Modeling Approach.” Environmental Science: Nano 8 (11): 3395–3407. doi:10.1039/D1EN00733E.
  • Roy, J, and K. Roy. 2022. “Modeling and Mechanistic Understanding of Cytotoxicity of Metal Oxide Nanoparticles (MeOxNPs) to Escherichia coli: Categorization and Data Gap Filling for Untested Metal Oxides.” Nanotoxicology 16 (2): 152–164. doi:10.1080/17435390.2022.2038299.
  • Roy, K., I. Mitra, S. Kar, P. K. Ojha, R. N. Das, and H. Kabir. 2012. “Comparative Studies on Some Metrics for External Validation of QSPR Models.” Journal of Chemical Information and Modeling 52 (2): 396–408. doi:10.1021/ci200520g.
  • Roy, K., R. N. Das, P. Ambure, and R. B. Aher. 2016. “Be Aware of Error Measures. Further Studies on Validation of Predictive QSAR Models.” Chemometrics and Intelligent Laboratory Systems 152: 18–33. doi:10.1016/j.chemolab.2016.01.008.
  • Simonin, M., B. P. Colman, W. Tang, J. D. Judy, S. M. Anderson, C. M. Bergemann, J. D. Rocca, J. M. Unrine, N. Cassarand and E. S. Bernhardt. 2018. “Plant and microbial responses to repeated Cu (OH) 2 nanopesticide exposures under different fertilization levels in an agro-ecosystem.” Frontiers in microbiology 9, 176. doi:10.3389/fmicb.2018.01769.
  • Sizochenko, N., A. Mikolajczyk, K. Jagiello, T. Puzyn, J. Leszczynski, and B. Rasulev. 2018. “How the Toxicity of Nanomaterials towards Different Species Could Be Simultaneously Evaluated: A Novel Multi-Nano-Read-across Approach.” Nanoscale 10 (2): 582–591. doi:10.1039/C7NR05618D.
  • Uboldi, Chiara, Marcos Sanles Sobrido, Elodie Bernard, Virginie Tassistro, Nathalie Herlin-Boime, Dominique Vrel, Sébastien Garcia-Argote, et al. 2019. “In Vitro H.analysis of the Effects of ITER-like Tungsten Nanoparticles: Cytotoxicity and Epigenotoxicity in BEAS-2B Cells.” Nanomaterials 9 (9): 1233. doi:10.3390/nano9091233.
  • Venkatasubramanian, V, and A. Sundaram. 2002. “Genetic Algorithms: introduction and Applications.” Encyclopedia of Computational Chemistry 2, Wiley. doi:10.1002/0470845015.cga003.
  • Walker, J. D., M. Enache, and J. C. Dearden. 2003. “Quantitative Cationic‐Activity Relationships for Predicting Toxicity of Metals.” Environmental Toxicology and Chemistry 22 (8): 1916–1935. 10.1897/02-568.
  • Wold, S. 1995. “PLS for Multivariate Linear Modelling.” In Chemometric Methods in Molecular Design, edited by vandeWaterbeemd, H. 195–218. VCH: Weinheim, Germany.
  • Zhang, Haiyuan, Zhaoxia Ji, Tian Xia, Huan Meng, Cecile Low-Kam, Rong Liu, Suman Pokhrel, et al. 2012. “Use of Metal Oxide Nanoparticle Band Gap to Develop a Predictive Paradigm for Oxidative Stress and Acute Pulmonary Inflammation.” ACS Nano 6 (5): 4349–4368. doi:10.1021/nn3010087.
  • Zhu, M., G. Nie, H. Meng, T. Xia, A. Nel, and Y. Zhao. 2013. “Physicochemical Properties Determine Nanomaterial Cellular Uptake, Transport, and Fate.” Accounts of Chemical Research 46 (3): 622–631. doi:10.1021/ar300031y.

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