Smart sequential spectrophotometric analysis of Fluconazole and its two toxic official impurities having superimposed spectra; Greenness, whiteness, blueness assessment and in silico toxicity profiling
Owing to the health hazards of impurities presence in active pharmaceutical ingredients, even in minute amount. A smart green sustainable spectrophotometric method was developed for simultaneous determination of Fluconazole (FLU) along with its official impurities B and C. The novel sequential dual...
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| Format: | Article |
| Language: | English |
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Elsevier
2024-12-01
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| Series: | Green Analytical Chemistry |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S2772577424000831 |
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| author | Christine M. El-Maraghy Mai S. Nour Ekram H. Mohamed |
| author_facet | Christine M. El-Maraghy Mai S. Nour Ekram H. Mohamed |
| author_sort | Christine M. El-Maraghy |
| collection | DOAJ |
| description | Owing to the health hazards of impurities presence in active pharmaceutical ingredients, even in minute amount. A smart green sustainable spectrophotometric method was developed for simultaneous determination of Fluconazole (FLU) along with its official impurities B and C. The novel sequential dual amplitude difference (SDAD) technique succeeded in resolving the severe overlapping between the three compounds and restoring their respective mother spectrum. According to international Council of Harmonization (ICH) guidelines, the developed method is accurate, precise, and selective with linearity range (50–500 µg/mL) for FLU, (0.5–6 µg/mL) for impurity B and (0.05–0.6) for impurity C. The method was successfully applied to three pharmaceutical preparations without interference from excipients. In addition, the proposed method was assessed and compared with reported chromatographic methods for its green character, sustainability, and practicality, using five tools. The spectrophotometric method was found to be the greenest with the least volume of solvents used and waste produced, moreover, it is the most practical/sustainable method. Besides, the toxicity profiling of the two impurities was predicted using two computational databases: preADMET and pKcsm. After reviewing literature, no previous analytical method to determine FLU and its two official impurities using spectrophotometry was reported. |
| format | Article |
| id | doaj-art-2d70716c396d48adb0000d6083c8458e |
| institution | OA Journals |
| issn | 2772-5774 |
| language | English |
| publishDate | 2024-12-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Green Analytical Chemistry |
| spelling | doaj-art-2d70716c396d48adb0000d6083c8458e2025-08-20T02:31:17ZengElsevierGreen Analytical Chemistry2772-57742024-12-011110017410.1016/j.greeac.2024.100174Smart sequential spectrophotometric analysis of Fluconazole and its two toxic official impurities having superimposed spectra; Greenness, whiteness, blueness assessment and in silico toxicity profilingChristine M. El-Maraghy0Mai S. Nour1Ekram H. Mohamed2Analytical Chemistry Department, Faculty of Pharmacy, October University for Modern Sciences and Arts (MSA), 11787, sixth October City, EgyptPharmaceutical Chemistry Department, Faculty of Pharmacy, October University for Modern Sciences and Arts (MSA), 11787, sixth October City, EgyptPharmaceutical Chemistry Department, Faculty of Pharmacy, The British University in Egypt, 11837 El-Sherouk City, Egypt; Corresponding author.Owing to the health hazards of impurities presence in active pharmaceutical ingredients, even in minute amount. A smart green sustainable spectrophotometric method was developed for simultaneous determination of Fluconazole (FLU) along with its official impurities B and C. The novel sequential dual amplitude difference (SDAD) technique succeeded in resolving the severe overlapping between the three compounds and restoring their respective mother spectrum. According to international Council of Harmonization (ICH) guidelines, the developed method is accurate, precise, and selective with linearity range (50–500 µg/mL) for FLU, (0.5–6 µg/mL) for impurity B and (0.05–0.6) for impurity C. The method was successfully applied to three pharmaceutical preparations without interference from excipients. In addition, the proposed method was assessed and compared with reported chromatographic methods for its green character, sustainability, and practicality, using five tools. The spectrophotometric method was found to be the greenest with the least volume of solvents used and waste produced, moreover, it is the most practical/sustainable method. Besides, the toxicity profiling of the two impurities was predicted using two computational databases: preADMET and pKcsm. After reviewing literature, no previous analytical method to determine FLU and its two official impurities using spectrophotometry was reported.http://www.sciencedirect.com/science/article/pii/S2772577424000831FluconazoleImpuritiesToxicitySpectrophotometryEco-friendlySustainable |
| spellingShingle | Christine M. El-Maraghy Mai S. Nour Ekram H. Mohamed Smart sequential spectrophotometric analysis of Fluconazole and its two toxic official impurities having superimposed spectra; Greenness, whiteness, blueness assessment and in silico toxicity profiling Green Analytical Chemistry Fluconazole Impurities Toxicity Spectrophotometry Eco-friendly Sustainable |
| title | Smart sequential spectrophotometric analysis of Fluconazole and its two toxic official impurities having superimposed spectra; Greenness, whiteness, blueness assessment and in silico toxicity profiling |
| title_full | Smart sequential spectrophotometric analysis of Fluconazole and its two toxic official impurities having superimposed spectra; Greenness, whiteness, blueness assessment and in silico toxicity profiling |
| title_fullStr | Smart sequential spectrophotometric analysis of Fluconazole and its two toxic official impurities having superimposed spectra; Greenness, whiteness, blueness assessment and in silico toxicity profiling |
| title_full_unstemmed | Smart sequential spectrophotometric analysis of Fluconazole and its two toxic official impurities having superimposed spectra; Greenness, whiteness, blueness assessment and in silico toxicity profiling |
| title_short | Smart sequential spectrophotometric analysis of Fluconazole and its two toxic official impurities having superimposed spectra; Greenness, whiteness, blueness assessment and in silico toxicity profiling |
| title_sort | smart sequential spectrophotometric analysis of fluconazole and its two toxic official impurities having superimposed spectra greenness whiteness blueness assessment and in silico toxicity profiling |
| topic | Fluconazole Impurities Toxicity Spectrophotometry Eco-friendly Sustainable |
| url | http://www.sciencedirect.com/science/article/pii/S2772577424000831 |
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