Screening for Ames mutagenicity of food flavor chemicals by (quantitative) structure-activity relationship

Honma, Masamitsu; Kitazawa, Airi; Kasamatsu, Toshio; Sugiyama, Keiichi

doi:10.1186/s41021-020-00171-1

Cited by 6 publications

(9 citation statements)

References 23 publications

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“…The ICH-M7 guideline also allows the use of the quantitative structure–activity relationship ((Q)SAR) approach for the initial assessment of genotoxicity instead of the Ames test. We have developed and validated some (Q)SAR tools for assessing the genotoxicity of food-flavoring chemicals, demonstrating good correlation between the (Q)SAR and Ames results [6] , [7] , [8] , [14] . We believe that (Q)SAR will be widely accepted in the field of genotoxicity as an alternative to the Ames test in the near future.…”

Section: Resultsmentioning

confidence: 96%

Genotoxicity assessment of food-flavoring chemicals used in Japan

et al. 2022

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Section: Resultsmentioning

confidence: 96%

Genotoxicity assessment of food-flavoring chemicals used in Japan

et al. 2022

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“…To further increase the size of the dataset (especially positive data), we added Ames test data of chemicals structurally similar to flavor chemicals. We previously developed a large Ames test database consisting of > 12,000 industrial chemicals [ 25 ]. We selected 428 chemicals (positive: 255; negative: 173) from the database that have molecular weights < 500 and possess a characteristic substructure of flavor chemicals defined in the Food Sanitation Law in Japan [ 5 ].…”

Section: Resultsmentioning

confidence: 99%

Development of a new quantitative structure–activity relationship model for predicting Ames mutagenicity of food flavor chemicals using StarDrop™ auto-Modeller™

Kasamatsu

Kitazawa

Tajima³

et al. 2021

Genes and Environ

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Background Food flavors are relatively low molecular weight chemicals with unique odor-related functional groups that may also be associated with mutagenicity. These chemicals are often difficult to test for mutagenicity by the Ames test because of their low production and peculiar odor. Therefore, application of the quantitative structure–activity relationship (QSAR) approach is being considered. We used the StarDrop™ Auto-Modeller™ to develop a new QSAR model. Results In the first step, we developed a new robust Ames database of 406 food flavor chemicals consisting of existing Ames flavor chemical data and newly acquired Ames test data. Ames results for some existing flavor chemicals have been revised by expert reviews. We also collected 428 Ames test datasets for industrial chemicals from other databases that are structurally similar to flavor chemicals. A total of 834 chemicals’ Ames test datasets were used to develop the new QSAR models. We repeated the development and verification of prototypes by selecting appropriate modeling methods and descriptors and developed a local QSAR model. A new QSAR model “StarDrop NIHS 834_67” showed excellent performance (sensitivity: 79.5%, specificity: 96.4%, accuracy: 94.6%) for predicting Ames mutagenicity of 406 food flavors and was better than other commercial QSAR tools. Conclusions A local QSAR model, StarDrop NIHS 834_67, was customized to predict the Ames mutagenicity of food flavor chemicals and other low molecular weight chemicals. The model can be used to assess the mutagenicity of food flavors without actual testing.

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“…The new QSAR model StarDropNIHS834_67 predicted the Ames mutagenicity of 406 food flavors with a sensitivity of 79.5%, a specificity of 96.4% and an accuracy of 94.6% (Honma et al, 2020).…”

Section: Fluorescence Detectionmentioning

confidence: 99%

“…Therefore, an effective screening tool is needed to evaluate the mutagenicity of spices quickly and accurately without the Ames test. (Q) SAR is a promising method to predict the potential adverse effects of chemical substances according to the structure of chemical substances without toxicological studies (Honma et al, 2020). Therefore, the (Q) SAR tool could be used to evaluate the mutagenicity of food flavor compounds, identify potential mutagenic chemicals, and verify their mutagenicity by actual Ames of 406 food flavors with a sensitivity of 79.5%, a specificity of 96.4%, and an accuracy of 94.6%.…”

Section: Dna Barcode Technologymentioning

confidence: 99%

Advances in processing, encapsulation, and analysis of food flavor compounds

Gan

Zhang

Mujumdar

et al. 2023

J Food Process Engineering

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In recent years, the market for edible flavor has become larger and the demand for edible flavor has become more diverse. Customers are paying more attention to natural, healthy, and functional flavors. This article reviews some new technologies about flavors in recent years, including processing technology, encapsulation, and detection of flavors. The synthetic technologies of flavor include thermal reaction technology, enzymatic hydrolysis technology, and microbial fermentation technology. The encapsulation technology includes nano‐emulsion and filled soluble hydrogel, as well as the new carrier materials used in packaging, such as β‐cyclodextrin, 2‐acetyl‐1‐pyrroline (2AP), yeast cell, and jackfruit seed starch (JM) are also hot spots in recent years. Finally, the detection of flavor components and the monitoring of characteristic flavor substances and harmful flavor substances are very important for flavor quality control. There are many detection techniques, such as chromatographic analysis techniques, solid‐phase microextraction, electronic nose and electronic tongue, sensor arrays, and fluorescence detection with DNA barcoding techniques and (quantitative) conformational relationships.

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Screening for Ames mutagenicity of food flavor chemicals by (quantitative) structure-activity relationship

Cited by 6 publications

References 23 publications

Genotoxicity assessment of food-flavoring chemicals used in Japan

Genotoxicity assessment of food-flavoring chemicals used in Japan

Development of a new quantitative structure–activity relationship model for predicting Ames mutagenicity of food flavor chemicals using StarDrop™ auto-Modeller™

Advances in processing, encapsulation, and analysis of food flavor compounds

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