@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} }
 @article{breidt_skinner_2022, title={Buffer Models for pH and Acid Changes Occurring in Cucumber Juice Fermented with Lactiplantibacillus pentosus and Leuconostoc mesenteroides}, volume={85}, ISSN={["1944-9097"]}, DOI={10.4315/JFP-22-068}, abstractNote={The pH changes that occur during the fermentation of vegetables by lactic acid bacteria depend on the production of weak acids but also the buffering of the fermentation medium. Undefined buffering components of fermentation media make estimates of pH from acid production difficult. The objective of this research was to develop buffer models for a model cucumber fermentation brine system linking pH changes to acid concentrations. A novel titration method was used to measure buffer capacity in cucumber juice media made from three different grades of pickling cucumbers based on diameter. Fermentation of juice made with different size cucumbers resulted in differences in fermentation biochemistry. The results of modeling showed that the pH of the media at 24 and 48 h of fermentation by heterolactic Leuconostoc mesenteroides and homolactic Lactiplantibacillus pentosus could be predicted from acid concentrations using the measured buffer capacity of the corresponding unfermented medium. The differences for all observed and predicted pH values of the fermentation samples, based on measured acid concentrations, had a root mean square error of 0.064 pH units. The buffer models included a quantitative measure of influence on pH due to the malolactic reaction by the lactic acid bacteria. These models may have application for assessing the influence of a variety of buffering reactions by lactic acid bacteria on pH and fermentation ecology, by linking pH to fermentation acid concentrations.}, number={9}, journal={JOURNAL OF FOOD PROTECTION}, author={Breidt, Fred and Skinner, Caitlin}, year={2022}, month={Sep}, pages={1273–1281} }