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Mathematical modeling of enzymatic syntheses of biosurfactants catalyzed by immobilized lipases
Reaction Kinetics, Mechanisms and Catalysis ( IF 1.8 ) Pub Date : 2020-06-20 , DOI: 10.1007/s11144-020-01812-w
Alice de Carvalho Lima Torres , Lionete Nunes de Lima , Paulo Waldir Tardioli , Ruy de Sousa Júnior

This work aimed at the kinetic modeling of enzymatic reactions for the production of sugar fatty esters type biosurfactants. The production of biosurfactants by esterification (72 h, 250 rpm stirring and 1.5 g of molecular sieve) of oleic and lauric acids with fructose and lactose, in the presence of tert-butanol and 2-methyl-2-butanol, has already been evaluated experimentally using Candida antarctica lipase B immobilized (CALB-IM-T2-350) and Pseudomonas fluorescens lipase (PFL) immobilized on octyl-silica. Acid conversion against time assays were carried out changing the following parameters: acid:sugar molar ratio (1:1 and 1:2), sugar concentration (25 and 50 mM), temperature (45 and 55 °C) and mass of biocatalyst (0.25 and 0.5 g). The Ping Pong Bi Bi kinetic model was fitted to data selected from the above-cited assays, assuming the production of only monoesters (relating the consumption of sugar and acid by an equimolar relation). The values for Vmax, Ksugar and Kacid were estimated. When CALB-IM-T2-350 was used, at 55 °C, Vmax = 1133 ± 221 mmol/Lh, Ksugar = 1378 ± 1696 mmol/L and Kacid = 3298 ± 1015 mmol/L. In the syntheses with PFL-octyl-silica, the results indicated lower conversions, with Vmax varying between 124 ± 13 and 221 ± 34 mmol/Lh (depending on reaction conditions) and K = 10,241 ± 1526 mmol/L (in average). A very good fit of the proposed model to the experimental data was obtained. For validation purpose, a different set of experimental data was used. The validation concentration profile showed an excellent prediction capability of the model.



中文翻译:

固定化脂肪酶催化生物表面活性剂酶促合成的数学模型

这项工作旨在为糖脂肪酸酯类生物表面活性剂的生产进行酶促反应的动力学建模。在丁醇和2-甲基-2-丁醇存在下,通过油酸和月桂酸与果糖和乳糖的酯化反应(72小时,250 rpm搅拌和1.5 g分子筛)生产生物表面活性剂已得到评估。实验上使用固定化的南极假丝酵母脂肪酶B(CALB-IM-T2-350)和荧光假单胞菌脂肪酶(PFL)固定在辛基二氧化硅上。改变时间进行酸转化试验,更改以下参数:酸:糖的摩尔比(1:1和1:2),糖浓度(25和50 mM),温度(45和55°C)和生物催化剂的质量( 0.25和0.5克)。假设仅产生单酯(通过等摩尔关系关联糖和酸的消耗量),则将Ping Pong Bi Bi动力学模型拟合到选自上述测定的数据。估计了V maxKK的值。当使用CALB-IM-T2-350时,在55°C下,V max  = 1133±221 mmol / Lh,K = 1378±1696 mmol / L,K = 3298±1015 mmol / L。在使用PFL-辛基二氧化硅的合成中,结果表明转化率较低, V max在124±13和221±34 mmol / Lh之间变化(取决于反应条件), K  = 10,241±1526 mmol / L(平均) 。所提出的模型与实验数据非常吻合。为了验证目的,使用了另一组实验数据。验证浓度曲线显示了模型的出色预测能力。

更新日期:2020-06-23
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