Three-way analysis of pH-UV absorbance dataset for the determination of paracetamol and its pKa value in presence of excipients

Dinç, Erdal; Ertekin, Zehra Ceren; Ünal, Nazangül

doi:10.1016/j.saa.2020.118049

Cited by 29 publications

(13 citation statements)

References 55 publications

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“…The effect of the pH of the solution is important because these substances behave like weak acids [48]. Therefore, the anodic peak current and anodic peak potentials can be affected by the pH of the solution.…”

Section: Ph Effect On Pcm and Ar Determination Using The Mo(iv) Ox /Cpe With Pbsmentioning

confidence: 99%

Simultaneous Electrochemical Determination of Paracetamol and Allura Red in Pharmaceutical Doses and Food Using a Mo(VI) Oxide‐Carbon Paste Microcomposite

et al. 2021

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This work presents a new application for MoO 3 combined with carbon paste to prepare a microcomposite electrode (Mo(VI) Ox /CPE) for the simultaneous determination of paracetamol (PCM) and Allure Red (AR) by square-wave voltammetry (SWV). The anodic peak currents for PCM and AR were 70.0 and 80.0 % high compared with an unmodified carbon paste electrode.The surface areas of Mo(VI) Ox /CPE and CPE were evaluated by cyclic voltammetry. The detection limit were 0.14 and 0.38 μmol/L for PCM and AR respectively. The relative standard deviations (RSDs) were 2.0 % (n = 7). Stability, shelf life and possible interferences were also evaluated with very acceptable results.

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Section: Ph Effect On Pcm and Ar Determination Using The Mo(iv) Ox /Cpe With Pbsmentioning

confidence: 99%

Simultaneous Electrochemical Determination of Paracetamol and Allura Red in Pharmaceutical Doses and Food Using a Mo(VI) Oxide‐Carbon Paste Microcomposite

et al. 2021

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“…Acetic acid, Allura red, Aromatic hydrazones, Bromoxylenol blue, Cardiolipin, Doxorubicin, Humic acid, Paracetamol, Propionic acid, Rosolic acid, Thioguanine, and Vincristine, have the usual structural features of acids/bases near the chromophore. 20,[33][34][35][36][37][38][39][40] A protonation pattern deduced for 5-substituted derivatives of 4-phenyl-1,2,4-triazoline-3-thione is shown in Fig. 4, suggesting that protonation occurs at sulfur atom at position 3.…”

Section: Pharmaceutical Analysismentioning

confidence: 99%

Structural Attributes of Organic Compounds for UV-Spectrophotometric Determination of Dissociation Constant – A Systematic Review

et al. 2022

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UV-spectrophotometric determination of dissociation constant (pKa) is used routinely in various research fields. This review highlights the structural attributes of organic compounds that exhibit distinct pH-sensitive UV-absorbance for ionized and unionized species qualifying for pKa measurement. Organic compounds must possess a double bond, the chromophore adjacent to the ionizing functional group. Compounds bearing up to five sigma bonds between the chromophore and ionizing group are eligible for UV-spectrophotometric determination of pKa. This review serves as a quick guide for knowledge about structural requirements expediting pKa determination by UV-spectrophotometry. Besides, the study also identified the gap in research on pKa in drug discovery and food chemistry, revealing the necessity of determining pKa at the early stages of drug and food research to enhance the success rate in their development.

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“…Hence, the pH value where the ratio of non‐ionized and ionized species equals one indicates the pKa value of the analyte. The authors reported the use of three‐way analysis methods for the spectrophotometric estimation of single and multiple pKa values in the literature [20–24] . However, the three‐way decomposition of spectrochromatographic data for the determination of pKa values has not been not reported in the literature.…”

Section: Introductionmentioning

confidence: 99%

Two Different Strategies Based on Three‐Way Analysis Models of UV Spectroscopic and Spectrochromatographic Measurements to Quantify the Acidity Constant of Acetylsalicylic Acid

Dinç

Ertekin

2022

ChemistrySelect

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A comparative study to quantify acid dissociation constant (pKa) of acetylsalicylic acid by applying the parallel factor analysis (PARAFAC) to three‐way data arrays of UV spectroscopic and spectrochromatographic measurements was presented. In data recording and data collection stages, the spectrochromatograms of 20 μg/mL acetylsalicylic acid in different mobile phases having seven different pH levels were recorded, and a cubic data set was created with time x wavelength x pH dimensions. UV spectra of the analyte in the concentration range of 10–30 μg/mL and in seven different pH media were recorded and arranged as a three‐way array with dimensions, wavelength x concentration x pH. To estimate the pKa by two different chemometric strategies, the cubic data sets were decomposed into trilinear components, which allowed to predict the pKa in the pH profiles. In practice, the three‐way analysis‐based UV spectroscopic and spectrochromatographic methods didn't include a titration procedure and had a second‐order advantage over traditional pKa determination methods. As a result, this investigation on the rapid and accurate estimation of the acidity constant of acetylsalicylic acid provided alternative and practical ways to determine the pKa of active pharmaceutical ingredients in the future.

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Three-way analysis of pH-UV absorbance dataset for the determination of paracetamol and its pKa value in presence of excipients

Cited by 29 publications

References 55 publications

Simultaneous Electrochemical Determination of Paracetamol and Allura Red in Pharmaceutical Doses and Food Using a Mo(VI) Oxide‐Carbon Paste Microcomposite

Simultaneous Electrochemical Determination of Paracetamol and Allura Red in Pharmaceutical Doses and Food Using a Mo(VI) Oxide‐Carbon Paste Microcomposite

Structural Attributes of Organic Compounds for UV-Spectrophotometric Determination of Dissociation Constant – A Systematic Review

Two Different Strategies Based on Three‐Way Analysis Models of UV Spectroscopic and Spectrochromatographic Measurements to Quantify the Acidity Constant of Acetylsalicylic Acid

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