Mathematical Modeling of the Aqueous Solubility of Bioactive Substances of Environmental Interest
Solubility is one of the most important physicochemical properties of a drug, since it is the basis for any technological development, as well as one of the most important information when carrying out environmental evaluations. In this work, the Apelblat, Buchowski-Ksiazczak, van't Hoff-Yaws,...
- Autores:
-
Delgado, Daniel Ricardo
Cárdenas Torres, Rossember Edén
Ortiz, Claudia Patricia
- Tipo de recurso:
- Article of journal
- Fecha de publicación:
- 2022
- Institución:
- Universidad Cooperativa de Colombia
- Repositorio:
- Repositorio UCC
- Idioma:
- eng
- OAI Identifier:
- oai:repository.ucc.edu.co:20.500.12494/55397
- Acceso en línea:
- https://hdl.handle.net/20.500.12494/55397
- Palabra clave:
- Apelblat
Buchowski Ksiazczak
Drugs
mathematical models
NRTL
solubility
van't Hoff Yaws
Wilson model
- Rights
- closedAccess
- License
- http://creativecommons.org/licenses/by-nc-nd/4.0/
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Mathematical Modeling of the Aqueous Solubility of Bioactive Substances of Environmental Interest |
| dc.title.translated.none.fl_str_mv |
Modelamiento matemático de la solubilidad acuosa de sustancias bioactivas de interes médioambiental |
| title |
Mathematical Modeling of the Aqueous Solubility of Bioactive Substances of Environmental Interest |
| spellingShingle |
Mathematical Modeling of the Aqueous Solubility of Bioactive Substances of Environmental Interest Apelblat Buchowski Ksiazczak Drugs mathematical models NRTL solubility van't Hoff Yaws Wilson model |
| title_short |
Mathematical Modeling of the Aqueous Solubility of Bioactive Substances of Environmental Interest |
| title_full |
Mathematical Modeling of the Aqueous Solubility of Bioactive Substances of Environmental Interest |
| title_fullStr |
Mathematical Modeling of the Aqueous Solubility of Bioactive Substances of Environmental Interest |
| title_full_unstemmed |
Mathematical Modeling of the Aqueous Solubility of Bioactive Substances of Environmental Interest |
| title_sort |
Mathematical Modeling of the Aqueous Solubility of Bioactive Substances of Environmental Interest |
| dc.creator.fl_str_mv |
Delgado, Daniel Ricardo Cárdenas Torres, Rossember Edén Ortiz, Claudia Patricia |
| dc.contributor.author.none.fl_str_mv |
Delgado, Daniel Ricardo Cárdenas Torres, Rossember Edén Ortiz, Claudia Patricia |
| dc.contributor.researchgroup.none.fl_str_mv |
Grupo de Investigación de Ingenierías UCC-Neiva |
| dc.subject.proposal.none.fl_str_mv |
Apelblat Buchowski Ksiazczak Drugs mathematical models NRTL solubility van't Hoff Yaws Wilson model |
| topic |
Apelblat Buchowski Ksiazczak Drugs mathematical models NRTL solubility van't Hoff Yaws Wilson model |
| description |
Solubility is one of the most important physicochemical properties of a drug, since it is the basis for any technological development, as well as one of the most important information when carrying out environmental evaluations. In this work, the Apelblat, Buchowski-Ksiazczak, van't Hoff-Yaws, NRTL and Wilson models were evaluated in the prediction of the solubility of three drugs of environmental interest because they are considered hazardous xenobiotics for the environment by the Norman network. According to the evaluation of the quality of the adjustment by calculating the mean absolute percentage error(MAPE), it was established that all the models allow calculating the solubility of the three bioactive substances with very low error percentages, i.e. Apelblat 2.98%, van't Hoff-Yaws 2.97%, Buchowski-Ksiazczak 3.35%, NRTL 7.37% and Wilson is 10.88%, which indicates that the models can be an important tool for optimizing processes involving the solubility of these drugs. |
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2022 |
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2022-10-19 |
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2024-04-11T17:20:30Z |
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2024-04-11T17:20:30Z |
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Artículo de revista |
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http://purl.org/coar/resource_type/c_2df8fbb1 |
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http://purl.org/coar/version/c_970fb48d4fbd8a85 |
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info:eu-repo/semantics/article |
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D. R. Delgado, R. E. Cardenas-Torres and C. P. Ortiz, "Mathematical Modeling of the Aqueous Solubility of Bioactive Substances of Environmental Interest," 2022 8th International Engineering, Sciences and Technology Conference (IESTEC), Panama, Panama, 2022, pp. 498-503, doi: 10.1109/IESTEC54539.2022.00084. |
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978-166549843-2 |
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https://hdl.handle.net/20.500.12494/55397 |
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doi.org/10.1109/IESTEC54539.2022.00084 |
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978-166549843-2 |
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D. R. Delgado, R. E. Cardenas-Torres and C. P. Ortiz, "Mathematical Modeling of the Aqueous Solubility of Bioactive Substances of Environmental Interest," 2022 8th International Engineering, Sciences and Technology Conference (IESTEC), Panama, Panama, 2022, pp. 498-503, doi: 10.1109/IESTEC54539.2022.00084. 978-166549843-2 doi.org/10.1109/IESTEC54539.2022.00084 |
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https://hdl.handle.net/20.500.12494/55397 |
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eng |
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eng |
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1 |
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498 |
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IEEE Xplore |
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A. N. Martin, and P. J. Sinko, Martin's Physical Pharmacy and Pharmaceutical Sciences: Physical Chemical and Biopharmaceutical Principles in the Pharmaceutical Sciences, 6ta ed., Lippincott Williams & Wilkins, 2011, Philadelphia, 2011, pp 300-318. J. Harrower, M. McNaughtan, C. Hunter, R. Hough, Z. Zhang, and K Helwig. “Chemical Fate and Partitioning Behavior of Antibiotics in the Aquatic Environment-A Review”, Environ. Toxicol. Chem. Vol 40, 3275–3298, 2021 J. J. Agredo-Collazos, C. P. Ortiz, N. Enrique Cerquera, R. E. Cardenas-Torres, D. R. Delgado, M. A. Peña, F. Martínez, “Equilibrium Solubility of Triclocarban in (Cyclohexane+ 1, 4-Dioxane) Mixtures: Determination, Correlation, Thermodynamics and Preferential Solvation”, J. Solut. Chem. (2022). https://doi.org/10.1007/s10953-022-01209-4. R. E. Cárdenas-Torres, C. P. Ortiz, W. E. Acree Jr, A. Jouyban, F. Martínez, D. R. Delgado, “Thermodynamic study and preferential solvation of sulfamerazine in acetonitrile+ methanol cosolvent mixtures at different temperatures”, J. Mol. Liq. vol. 349, pp. 118172, 2022. |
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Universidad Cooperativa de Colombia, Facultad de Ingenierías, Ingeniería Civil, Neiva Panama |
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Universidad Cooperativa de Colombia, Facultad de Ingenierías, Ingeniería Civil, Neiva Panama |
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Delgado, Daniel RicardoCárdenas Torres, Rossember EdénOrtiz, Claudia PatriciaGrupo de Investigación de Ingenierías UCC-Neiva2024-04-11T17:20:30Z2024-04-11T17:20:30Z2022-10-19D. R. Delgado, R. E. Cardenas-Torres and C. P. Ortiz, "Mathematical Modeling of the Aqueous Solubility of Bioactive Substances of Environmental Interest," 2022 8th International Engineering, Sciences and Technology Conference (IESTEC), Panama, Panama, 2022, pp. 498-503, doi: 10.1109/IESTEC54539.2022.00084.978-166549843-2https://hdl.handle.net/20.500.12494/55397doi.org/10.1109/IESTEC54539.2022.00084978-166549843-2Solubility is one of the most important physicochemical properties of a drug, since it is the basis for any technological development, as well as one of the most important information when carrying out environmental evaluations. In this work, the Apelblat, Buchowski-Ksiazczak, van't Hoff-Yaws, NRTL and Wilson models were evaluated in the prediction of the solubility of three drugs of environmental interest because they are considered hazardous xenobiotics for the environment by the Norman network. According to the evaluation of the quality of the adjustment by calculating the mean absolute percentage error(MAPE), it was established that all the models allow calculating the solubility of the three bioactive substances with very low error percentages, i.e. Apelblat 2.98%, van't Hoff-Yaws 2.97%, Buchowski-Ksiazczak 3.35%, NRTL 7.37% and Wilson is 10.88%, which indicates that the models can be an important tool for optimizing processes involving the solubility of these drugs.Universidad Cooperativa de ColombiaEnergias, agua y medio ambientepdfapplication/pdfengUniversidad Cooperativa de Colombia, Facultad de Ingenierías, Ingeniería Civil, NeivaPanamahttp://creativecommons.org/licenses/by-nc-nd/4.0/info:eu-repo/semantics/closedAccessAttribution-NonCommercial-NoDerivatives 4.0 Internationalhttp://purl.org/coar/access_right/c_14cbhttps://ieeexplore.ieee.org/document/10040875Mathematical Modeling of the Aqueous Solubility of Bioactive Substances of Environmental InterestModelamiento matemático de la solubilidad acuosa de sustancias bioactivas de interes médioambientalArtículo de revistahttp://purl.org/coar/resource_type/c_6501http://purl.org/coar/resource_type/c_2df8fbb1http://purl.org/coar/version/c_970fb48d4fbd8a85info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionN/A50314981IEEE XploreA. N. Martin, and P. J. Sinko, Martin's Physical Pharmacy and Pharmaceutical Sciences: Physical Chemical and Biopharmaceutical Principles in the Pharmaceutical Sciences, 6ta ed., Lippincott Williams & Wilkins, 2011, Philadelphia, 2011, pp 300-318.J. Harrower, M. McNaughtan, C. Hunter, R. Hough, Z. Zhang, and K Helwig. “Chemical Fate and Partitioning Behavior of Antibiotics in the Aquatic Environment-A Review”, Environ. Toxicol. Chem. Vol 40, 3275–3298, 2021J. J. Agredo-Collazos, C. P. Ortiz, N. Enrique Cerquera, R. E. Cardenas-Torres, D. R. Delgado, M. A. Peña, F. Martínez, “Equilibrium Solubility of Triclocarban in (Cyclohexane+ 1, 4-Dioxane) Mixtures: Determination, Correlation, Thermodynamics and Preferential Solvation”, J. Solut. Chem. (2022). https://doi.org/10.1007/s10953-022-01209-4.R. E. Cárdenas-Torres, C. P. Ortiz, W. E. Acree Jr, A. Jouyban, F. Martínez, D. R. Delgado, “Thermodynamic study and preferential solvation of sulfamerazine in acetonitrile+ methanol cosolvent mixtures at different temperatures”, J. Mol. Liq. vol. 349, pp. 118172, 2022.ApelblatBuchowski KsiazczakDrugsmathematical modelsNRTLsolubilityvan't Hoff YawsWilson modelPublication3171Estudio termodinámico de la solubilidad de la isoniacida en sistemas acuosos polietilenglicol 200, 300, 400 y 600 e implementación de algoritmos de machine learning para la predicción de la solubilidad.CC-LICENSElicense_rdflicense_rdfapplication/rdf+xml; charset=utf-8805https://repository.ucc.edu.co/bitstreams/387a5ed8-2a21-4600-a526-78f490fa3a07/download4460e5956bc1d1639be9ae6146a50347MD52ORIGINALMathematical Modeling of the Aqueous Solubility of Bioactive Substances of Environmental Interest.pdfMathematical Modeling of the Aqueous Solubility of Bioactive Substances of Environmental Interest.pdfapplication/pdf522499https://repository.ucc.edu.co/bitstreams/db64b94d-237e-49c2-a3cf-30e2942332f2/downloadffb9e7db6e7dcccd8ee23980fcab6c4eMD51LICENSElicense.txtlicense.txttext/plain; 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