@article{breidt_skinner_shriner_ruinsky_yang_wine_johnston_2023, title={IngredientDB: A GUI-based Matlab database program for estimating the pH of acid or acidified food formulations from buffer capacity models}, volume={24}, ISSN={["2352-7110"]}, DOI={10.1016/j.softx.2023.101545}, abstractNote={A Matlab GUI program, IngredientDB, was developed to help determine the pH and buffering of ingredients in acidic food products based on product formulations. A database of buffer capacity models for both low acid and acid food ingredients was developed and used to show how individual food ingredients influence the final product pH. The IngredientDB program may be used for in silico formulations of acidic food products to help assure the quality and safety of these foods.}, journal={SOFTWAREX}, author={Breidt, Fred and Skinner, Caitlin R. and Shriner, Mileah and Ruinsky, Mollie and Yang, Seo Young and Wine, Robert P. and Johnston, Lynette}, year={2023}, month={Dec} }
 @article{fragedakis_skinner_shriner_ruinsky_yang_wine_johnston_breidt_2023, title={Modeling the formulation pH of elderberry syrup with multiple weak acids}, ISSN={["1750-3841"]}, DOI={10.1111/1750-3841.16664}, abstractNote={AbstractThe objective of this work was to develop methods to assess the influence of the ingredients of an acidified elderberry syrup on product pH. A measure of total ingredient buffering (tBeta) was defined as the area under the buffer capacity curve of a food mixture or ingredient for pH 2–12. Citric acid (1% w/v), elderberry juice (75% v/v), and malic acid (0.75% w/v) had greater buffering (tBeta values of 15.33, 12.00, and 10.95, respectively) than ascorbic acid (0.75%) or lemon juice (3% v/v) (tBeta of 5.74 and 3.30, respectively). All other ingredients, including added spices (≤1% each) and honey (25% w/v), had tBeta values <2. The observed pH for the syrup mixture (pH 2.67) was within 0.11 pH units of the predicted pH based on combined buffer models of the acid and low acid ingredients (pH 2.78) using Matlab software. A total of 16 model syrup formulations containing elderberry juice with mixed acids (malic, acetic, and ascorbic) and having pH values between 3 and 4 were prepared. The pH values of the formulations were compared to predicted values from combined buffer models of the individual ingredients. Regression analysis indicated an excellent fit of the observed and predicted pH data, with a root mean square error of 0.076 pH units. The results indicated that buffer models may be useful for in silico estimates of how the ingredients in acid and acidified foods may influence pH, thus aiding in product development and safety assessments.}, journal={JOURNAL OF FOOD SCIENCE}, author={Fragedakis, Nicholas and Skinner, Caitlin R. R. and Shriner, Mileah and Ruinsky, Mollie and Yang, Seo Young and Wine, Robert P. P. and Johnston, Lynette and Breidt, Fred}, year={2023}, month={Jun} }