Validation of mathematical model with phosphate activation effect by batch (R)-phenylacetylcarbinol biotransformation process utilizing Candida tropicalis pyruvate decarboxylase in phosphate buffer

Abstract The (R)-phenylacetylcarbinol (PAC) batch biotransformation kinetics for partially purified Candida tropicalis TISTR 5350 pyruvate decarboxylase (PDC) were determined to validate a comprehensive mathematical model in 250 mL scale with 250 mM phosphate buffer/pH 7.0. PDC could convert initial...

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Autores principales:	Julaluk Khemacheewakul, Siraphat Taesuwan, Rojarej Nunta, Charin Techapun, Yuthana Phimolsiripol, Pornchai Rachtanapun, Kittisak Jantanasakulwong, Kritsadaporn Porninta, Sumeth Sommanee, Chatchadaporn Mahakuntha, Thanongsak Chaiyaso, Phisit Seesuriyachan, Alissara Reungsang, Ngoc Thao Ngan Trinh, Sutee Wangtueai, Sarana Rose Sommano, Noppol Leksawasdi
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/25e81d906cd44955a53fa81fbb4ae9f4
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spelling	oai:doaj.org-article:25e81d906cd44955a53fa81fbb4ae9f42021-12-02T15:57:03ZValidation of mathematical model with phosphate activation effect by batch (R)-phenylacetylcarbinol biotransformation process utilizing Candida tropicalis pyruvate decarboxylase in phosphate buffer10.1038/s41598-021-91294-02045-2322https://doaj.org/article/25e81d906cd44955a53fa81fbb4ae9f42021-06-01T00:00:00Zhttps://doi.org/10.1038/s41598-021-91294-0https://doaj.org/toc/2045-2322Abstract The (R)-phenylacetylcarbinol (PAC) batch biotransformation kinetics for partially purified Candida tropicalis TISTR 5350 pyruvate decarboxylase (PDC) were determined to validate a comprehensive mathematical model in 250 mL scale with 250 mM phosphate buffer/pH 7.0. PDC could convert initial 100/120 mM benzaldehyde/pyruvate substrates to the statistical significantly highest (p ≤ 0.05) maximum PAC concentration (95.8 ± 0.1 mM) and production rate (0.639 ± 0.001 mM min−1). A parameter search strategy aimed at minimizing overall residual sum of square (RSS T ) based on a system of six ordinary differential equations was applied to PAC biotransformation profiles with initial benzaldehyde/pyruvate concentration of 100/120 and 30/36 mM. Ten important biotransformation kinetic parameters were then elucidated including the zeroth order activation rate constant due to phosphate buffer species (k a ) of (9.38 ± < 0.01) × 10–6% relative PDC activity min−1 mM−1. The validation of this model to independent biotransformation kinetics with initial benzaldehyde/pyruvate concentration of 50/60 mM resulted in relatively good fitting with RSS T , mean sum of square error (MSE), and coefficient of determination (R2) values of 662, 17.4, and 0.9863, respectively.Julaluk KhemacheewakulSiraphat TaesuwanRojarej NuntaCharin TechapunYuthana PhimolsiripolPornchai RachtanapunKittisak JantanasakulwongKritsadaporn PornintaSumeth SommaneeChatchadaporn MahakunthaThanongsak ChaiyasoPhisit SeesuriyachanAlissara ReungsangNgoc Thao Ngan TrinhSutee WangtueaiSarana Rose SommanoNoppol LeksawasdiNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 11, Iss 1, Pp 1-11 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Julaluk Khemacheewakul Siraphat Taesuwan Rojarej Nunta Charin Techapun Yuthana Phimolsiripol Pornchai Rachtanapun Kittisak Jantanasakulwong Kritsadaporn Porninta Sumeth Sommanee Chatchadaporn Mahakuntha Thanongsak Chaiyaso Phisit Seesuriyachan Alissara Reungsang Ngoc Thao Ngan Trinh Sutee Wangtueai Sarana Rose Sommano Noppol Leksawasdi Validation of mathematical model with phosphate activation effect by batch (R)-phenylacetylcarbinol biotransformation process utilizing Candida tropicalis pyruvate decarboxylase in phosphate buffer
description	Abstract The (R)-phenylacetylcarbinol (PAC) batch biotransformation kinetics for partially purified Candida tropicalis TISTR 5350 pyruvate decarboxylase (PDC) were determined to validate a comprehensive mathematical model in 250 mL scale with 250 mM phosphate buffer/pH 7.0. PDC could convert initial 100/120 mM benzaldehyde/pyruvate substrates to the statistical significantly highest (p ≤ 0.05) maximum PAC concentration (95.8 ± 0.1 mM) and production rate (0.639 ± 0.001 mM min−1). A parameter search strategy aimed at minimizing overall residual sum of square (RSS T ) based on a system of six ordinary differential equations was applied to PAC biotransformation profiles with initial benzaldehyde/pyruvate concentration of 100/120 and 30/36 mM. Ten important biotransformation kinetic parameters were then elucidated including the zeroth order activation rate constant due to phosphate buffer species (k a ) of (9.38 ± < 0.01) × 10–6% relative PDC activity min−1 mM−1. The validation of this model to independent biotransformation kinetics with initial benzaldehyde/pyruvate concentration of 50/60 mM resulted in relatively good fitting with RSS T , mean sum of square error (MSE), and coefficient of determination (R2) values of 662, 17.4, and 0.9863, respectively.
format	article
author	Julaluk Khemacheewakul Siraphat Taesuwan Rojarej Nunta Charin Techapun Yuthana Phimolsiripol Pornchai Rachtanapun Kittisak Jantanasakulwong Kritsadaporn Porninta Sumeth Sommanee Chatchadaporn Mahakuntha Thanongsak Chaiyaso Phisit Seesuriyachan Alissara Reungsang Ngoc Thao Ngan Trinh Sutee Wangtueai Sarana Rose Sommano Noppol Leksawasdi
author_facet	Julaluk Khemacheewakul Siraphat Taesuwan Rojarej Nunta Charin Techapun Yuthana Phimolsiripol Pornchai Rachtanapun Kittisak Jantanasakulwong Kritsadaporn Porninta Sumeth Sommanee Chatchadaporn Mahakuntha Thanongsak Chaiyaso Phisit Seesuriyachan Alissara Reungsang Ngoc Thao Ngan Trinh Sutee Wangtueai Sarana Rose Sommano Noppol Leksawasdi
author_sort	Julaluk Khemacheewakul
title	Validation of mathematical model with phosphate activation effect by batch (R)-phenylacetylcarbinol biotransformation process utilizing Candida tropicalis pyruvate decarboxylase in phosphate buffer
title_short	Validation of mathematical model with phosphate activation effect by batch (R)-phenylacetylcarbinol biotransformation process utilizing Candida tropicalis pyruvate decarboxylase in phosphate buffer
title_full	Validation of mathematical model with phosphate activation effect by batch (R)-phenylacetylcarbinol biotransformation process utilizing Candida tropicalis pyruvate decarboxylase in phosphate buffer
title_fullStr	Validation of mathematical model with phosphate activation effect by batch (R)-phenylacetylcarbinol biotransformation process utilizing Candida tropicalis pyruvate decarboxylase in phosphate buffer
title_full_unstemmed	Validation of mathematical model with phosphate activation effect by batch (R)-phenylacetylcarbinol biotransformation process utilizing Candida tropicalis pyruvate decarboxylase in phosphate buffer
title_sort	validation of mathematical model with phosphate activation effect by batch (r)-phenylacetylcarbinol biotransformation process utilizing candida tropicalis pyruvate decarboxylase in phosphate buffer
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/25e81d906cd44955a53fa81fbb4ae9f4
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Validation of mathematical model with phosphate activation effect by batch (R)-phenylacetylcarbinol biotransformation process utilizing Candida tropicalis pyruvate decarboxylase in phosphate buffer

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