Phenolphthalein and methyl orange

Peters, C. A.; Redmon, Bryan C.

doi:10.1021/ed017p525

Cited by 12 publications

(6 citation statements)

References 4 publications

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“…The intrinsic mutagenic potential of 4,4'-diphenylmethane diisocyanate is negative. Basic Brown 17 is positive in the Ames test, but is negative in the vitMN test, the MLA, (Peters and Redmon, 1940).…”

Section: Discussionmentioning

confidence: 93%

“…This chemical seems to be a non-genotoxic carcinogen based on these results. However, phenolphthalein is a weak acid, and has four tautomeric forms, depending on pH (Table 7) (Peters and Redmon, 1940). In the pH ranges of less than 0, 0 to 8.2, 8.2 to 12.0 and more than 13.0, phenolphthalein takes a cationic form, a molecular form and two different anionic forms, respectively (Peters and Redmon, 1940).…”

Section: Discussionmentioning

confidence: 99%

“…However, phenolphthalein is a weak acid, and has four tautomeric forms, depending on pH (Table 7) (Peters and Redmon, 1940). In the pH ranges of less than 0, 0 to 8.2, 8.2 to 12.0 and more than 13.0, phenolphthalein takes a cationic form, a molecular form and two different anionic forms, respectively (Peters and Redmon, 1940). When we examined these forms by in silico methods, the molecular form of phenolphthalein was predicted as negative; however, DEREK NEXUS predicted carcinogenicity of the anionic form at pH 8.2.…”

Section: Discussionmentioning

confidence: 99%

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Prediction of genotoxic potential of cosmetic ingredients by an in silico battery system consisting of a combination of an expert rule-based system and a statistics-based system

et al. 2015

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-Genotoxicity is the most commonly used endpoint to predict the carcinogenicity of chemicals. The International Conference on Harmonization (ICH) M7 Guideline on Assessment and Control of DNA Reactive (Mutagenic) Impurities in Pharmaceuticals to Limit Potential Carcinogenic Risk offers guidance on (quantitative) structure-activity relationship ((Q)SAR) methodologies that predict the outcome of bacterial mutagenicity assay for actual and potential impurities. We examined the effectiveness of the (Q)SAR approach with the combination of DEREK NEXUS as an expert rule-based system and ADMEWorks as a statistics-based system for the prediction of not only mutagenic potential in the Ames test, but also genotoxic potential in mutagenicity and clastogenicity tests, using a data set of 342 chemicals extracted from the literature. The prediction of mutagenic potential or genotoxic potential by DEREK NEXUS or ADMEWorks showed high values of sensitivity and concordance, while prediction by the combination of DEREK NEXUS and ADMEWorks (battery system) showed the highest values of sensitivity and concordance among the three methods, but the lowest value of specificity. The number of false negatives was reduced with the battery system. We also separately predicted the mutagenic potential and genotoxic potential of 41 cosmetic ingredients listed in the International Nomenclature of Cosmetic Ingredients (INCI) among the 342 chemicals. Although specificity was low with the battery system, sensitivity and concordance were high. These results suggest that the battery system consisting of DEREK NEXUS and ADMEWorks is useful for prediction of genotoxic potential of chemicals, including cosmetic ingredients.

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Section: Discussionmentioning

confidence: 93%

Section: Discussionmentioning

confidence: 99%

Section: Discussionmentioning

confidence: 99%

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Prediction of genotoxic potential of cosmetic ingredients by an in silico battery system consisting of a combination of an expert rule-based system and a statistics-based system

et al. 2015

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“…The formation of the vivid blue color is due to deprotonation of its mildly acidic phenolic groups to form the corresponding dianion as shown in Scheme IV. The increase in conjugation present in the dianion can explain why it absorbs light in the visible region and is colored (25)(26)(27).…”

Section: Resultsmentioning

confidence: 99%

Synthesis of Triarylmethane and Xanthene Dyes Using Electrophilic Aromatic Substitution Reactions

McCullagh

Daggett

2007

J. Chem. Educ.

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“…In these case a phenolphthalein indicator is adding to the analyte concentration. Literature survey reveals about indicators as phenolphthalein and methyl orange [3], that is used as acid-base indicators in titration [4,5], and in variety of reactions at pH dependence well [6][7][8]. In this article, we have been reported the study of phenolphthalein indicator behaviour in titrimetric estimation of the solubility of benzoic acid with its distribution in water and benzene buffer solutions.…”

Section: (Deep Red Colour)mentioning

confidence: 99%

Phenolphthalein Indicator in Titrimetric Estimation of Benzoic Acid Solubility and Distribution in Water and Benzene-Buffer Solutions

Mishra

2022

AJOCS

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In solubility and partitioning process of benzoic acid, the various factors are involved such as temperature, solute-solvent interaction and dissociation of acid into ionic state in taking solvents. Here, we reported the benzoic acid (solute) solubility in gram/100gram of solvent in different pH benzene-buffer solutions which are analyzed by using of titration method and partition study of these acid into solvents like water and benzene layer by shake-flask acid-base titration method, at room temperature (25°C) for 24 hours. In titrimetric estimation the solute benzoic acid solubility and their partition in between of water and in different pH buffer solutions as in medium of acidic, neutral and basic, a phenolphthalein indicator have been used well. The solvents and benzene-buffer solutions having different pH 4.0, 7.0 and 9.0 is titrated against as 0.01, 0.05 and 0.1N NaOH solutions by using phenolphthalein as indicator, where the end point show a pink color for each reading. Concentration of benzoic acid into water and solvent benzene layers is being calculated as by applying the equation of normality determination and distribution coefficient as from Nernst distribution law equation.

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Phenolphthalein and methyl orange

Cited by 12 publications

References 4 publications

Prediction of genotoxic potential of cosmetic ingredients by an in silico battery system consisting of a combination of an expert rule-based system and a statistics-based system

Prediction of genotoxic potential of cosmetic ingredients by an in silico battery system consisting of a combination of an expert rule-based system and a statistics-based system

Synthesis of Triarylmethane and Xanthene Dyes Using Electrophilic Aromatic Substitution Reactions

Phenolphthalein Indicator in Titrimetric Estimation of Benzoic Acid Solubility and Distribution in Water and Benzene-Buffer Solutions

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