Structural studies and molecular dynamic simulations of polyphenol oxidase treated by high pressure processing

Zhou, Hengle; Wang, Fuhai; Niu, Huihui; Yuan, Lei; Tian, Jun; Cai, Shengbao; Bi, Xiufang; Zhou, Linyan

doi:10.1016/j.foodchem.2021.131243

Cited by 33 publications

(16 citation statements)

References 37 publications

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“…After that, 10,000 energy minimization steps were performed to eliminate any unfavorable interactions between the protein and the water molecules. 30 The Langevin temperature control and the isotropic Berendsen pressure control methods were utilized to retain the pressure and temperature in isothermal equilibrium. MD simulations were performed for the overall system using a constant temperature of 100 °C.…”

Section: ■ Materials and Methodsmentioning

confidence: 99%

“…For neutralizing this simulation system, a 1 nm cubic water box and Cl – were introduced to retain the stability of topology and coordinate structure. After that, 10,000 energy minimization steps were performed to eliminate any unfavorable interactions between the protein and the water molecules . The Langevin temperature control and the isotropic Berendsen pressure control methods were utilized to retain the pressure and temperature in isothermal equilibrium.…”

Section: Methodsmentioning

confidence: 99%

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Engineering of Acid-Resistant d-Allulose 3-Epimerase for Functional Juice Production

Zhang

Wang

et al. 2022

J. Agric. Food Chem.

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d-Allulose, a rare sugar and functional sweetener, can be biosynthesized by d-allulose 3-isomerase (DAE). However, most of the reported DAEs exhibit poor resistance under acidic conditions, which severely limited their application. Here, surface charge engineering and random mutagenesis were used to construct a mutant library of CcDAE from Clostridium cellulolyticum H10, combined with high-throughput screening to identify mutants with high activity and resistance under acidic conditions. The mutant M3 (I114R/K123E/H209R) exhibited high activity (3.36-fold of wild-type) and acid resistance (10.6-fold of wild-type) at pH 4.5. The structure–function relationship was further analyzed by molecular dynamics (MD) simulations, which indicated that M3 had a higher number of hydrogen bonds and negative surface charges than the wild type. A multienzyme cascade system including M3 was used to convert high-calorie sugars in acidic juices, and functional juices containing 7.8–15.4 g/L d-allulose were obtained. Our study broadens the manufacture of functional foods containing d-allulose.

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Section: ■ Materials and Methodsmentioning

confidence: 99%

Section: Methodsmentioning

confidence: 99%

Engineering of Acid-Resistant d-Allulose 3-Epimerase for Functional Juice Production

Zhang

Wang

et al. 2022

J. Agric. Food Chem.

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“…The secondary structures of α-La under HPP and thermal treatments were determined via the circular dichroism spectrometry of Chirascan plus (Applied Photophysics Ltd., Leatherhead, UK) [ 26 ]. The protein concentration was diluted to 0.1 mg/mL, the path length of the quartz cuvette was kept at 1 mm, and the light scan range was set as 180~260 nm.…”

Section: Methodsmentioning

confidence: 99%

Effects of High Pressure Processing and Thermal Treatment on the Interaction between α-Lactalbumin and Pelargonium-3-Glucoside

et al. 2022

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In this study, high pressure processing (HPP) and thermal treatment were comparatively evaluated by examining their impacts on the binding behavior and interaction between α-lactalbumin (α-La) and pelargonium-3-glucoside (P3G) under pH values of 6.0, 7.4, and 8.0. The methods of circular dichroism spectroscopy, fluorescence quenching, dynamic light scattering, and molecular simulation were used to characterize the effects of processing-induced changes in protein structure, size distribution, binding site conformation, and residue charges on their binding characteristics between them. The results indicated that the thermal treatments significantly increased the quenching constants of the complex at pH 7.4/8.0 and 60/80 °C, as well as the accessible fraction of protein at pH 8.0/80 °C. Both HPP and thermal treatments increased the random coil content and showed limited effects on the α-helix and β-sheet contents of α-La and caused the aggregation of the complex to varying degrees. Molecular dynamic simulation and docking analyses revealed that the binding site of the complex did not change under different processing conditions, but the solvent-accessible surface area varied under different conditions.

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“…VARDA , 1984;KANADE et al, 2007;RAGHAVENDRA et al, 2015;WONG, 1995;ZHOU et al, 2022) Figura 2 -Estrutura 3D da PPO Diante destes fatos, sabendo que em frutas e hortaliças é importante conservar tanto a cor como os seus nutrientes, existe um grande número de pesquisadores que se dedicam em melhorar ou procurado tratamentos que possam inativar a polifenoxidase.…”

Section: Polifenoloxidase (Ppo)unclassified

“…(1996) demonstraram com os métodos convencionais de armazenamento e manter suas características de textura quando comparado com pedaços frescos de manga. Similar experimento com congelamentos de carne bovina em campo magnético contínuo e homogêneo, demonstrou campos de 100 e 150G tem um efeito significativamente inibitório no processo de congelamento comparado com o controle(WANG et al, 2022). No entanto, outros estudos foram controversos quanto a eficácia da utilização de campos magnéticos no processo de congelamento, estudos que usaram a tecnologia CAS (Cell alive System), um refrigerador patenteado que utiliza CMO e CME(JAMES;REITZ;JAMES, 2015;OTERO et al, 2017; PUZA et al, 2019) e Otero e Pozo, (2022), constataram em seus experimentos que batatas congeladas com CME com intensidade de 150 mT não demostraram melhoras significativas no grau de congelamento, redução da massa, drip loss, textura ou cor.Existem também estudos que avaliam o efeito sinérgico do campo magnético com outros tratamentos Mok et al (2017).…”

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Efeitos do campo magnético pulsado em maçãs: uma abordagem experimental

Campos¹

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Aos meus pais por todo suporte, apoio e amor. Sem eles nunca teria chego até aqui e por isso sou muito grata.Ao meu irmão por toda ajuda e com suas brincadeiras e descontração conseguir me trazer felicidade.Ao Prof. Dr. Ernane José Xavier Costa, pelo seu apoio e compreensão nos momentos difíceis, por acreditar no meu potencial e me deixar livre para fazer ciência sempre me orientando sabiamente.Ao Aldo, técnico do laboratório pela orientação e ensinamento durante esse trabalho, sem ele esse projeto não seria nada.À Luciana que me ajudou muito durante todo esse processo, sem ela tudo seria mais difícil À família LAFAC por ter me acolhido desde a graduação, pela alegria e paz que me fornecem nos momentos bons e conturbados da minha pós-graduação. Aos meus amigosSamuel e Dannaya por serem o presente que a USP me deu durante o mestrado e que nossa amizade seja eterna. Aos meus amigos Rogério e Fernando, por estarem sempre por perto quando preciso de ajuda e pela amizade de anos que guardo no coração. Ao meu marido, por estar presente, por tentar me entender e por todo amor que temos um pelo outro. Às minhas amigas Paola e Larissa por estarem sempre comigo mesmo que distantes fisicamente, elas foram fundamentais para eu não desistir À todos aqueles e aquelas que plantaram sua semente em minha vida e que de alguma maneira me influenciaram. À Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES), pelo auxílio financeiro na concessão da bolsacódigo de financiamento 001. Meus sinceros agradecimentos, pois sou resultado de todo o apoio, confiança e amor de cada um de vocês. "Feliz aquele que transfere o que sabe e aprende o que ensina."

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Structural studies and molecular dynamic simulations of polyphenol oxidase treated by high pressure processing

Cited by 33 publications

References 37 publications

Engineering of Acid-Resistant d-Allulose 3-Epimerase for Functional Juice Production

Engineering of Acid-Resistant d-Allulose 3-Epimerase for Functional Juice Production

Effects of High Pressure Processing and Thermal Treatment on the Interaction between α-Lactalbumin and Pelargonium-3-Glucoside

Efeitos do campo magnético pulsado em maçãs: uma abordagem experimental

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