Process Biochemistry最新文献_第2页

Corrigendum to “Extraction methods of dietary fiber and effect on bioactivity: A review” [Process Biochem. 146 (2024) 451–461] 膳食纤维的提取方法及其对生物活性的影响：146 (2024) 451-461] 的更正

IF 3.7 3区生物学 Q2 BIOCHEMISTRY & MOLECULAR BIOLOGY

Process Biochemistry

Pub Date : 2024-11-05 DOI: 10.1016/j.procbio.2024.10.018

Mei Zhang, Yuanyuan Liu, Jiayu Liu, Tingting Zheng, Yang Li, Sixuan He, Mengying Jiang, Liping Wu, Song Wang

引用次数: 0

Evaluation of biological potential of red onion skin extract for anticancer and antimicrobial activities 评估红洋葱皮提取物抗癌和抗菌活性的生物潜力

IF 3.7 3区生物学 Q2 BIOCHEMISTRY & MOLECULAR BIOLOGY

Process Biochemistry

Pub Date : 2024-11-04 DOI: 10.1016/j.procbio.2024.11.002

Rana R. El Sadda , Amira R. El-Shobaky , Heba O. El Sharawy , Elhossein A. Moawed , Omnia H. Gohar , Mohamed M. El-Zahed , Youssef Y. Elseady , Wael S. El–Tohamy

Chemotherapy, while effective in combating cancer, frequently induces severe adverse effects and lacks specificity. This investigation aims to assess the potential of red onion skin, a byproduct abundant in polyphenols and flavonoids, as a reservoir of natural compounds possessing anticancer and antimicrobial properties. Two extracts, specifically ethanolic red onion skin (EROS) extract, and chromatographic red onion skin (CROS) extract were subjected to comprehensive biological analysis. Gas chromatography-mass spectrometry (GC-MS) and infrared (IR) spectroscopy revealed that the CROS extract predominantly encompasses dihydroxy benzoic acid (DHBA) and its derivatives, alongside fatty acids recognized for enhancing DHBA penetration into cellular membranes. The antimicrobial activity of the extracts was systematically evaluated against Gram-positive bacteria, Gram-negative bacteria, and yeast using the agar well diffusion method, the minimum inhibition concentration (MIC), and the minimum microbicidal concentration (MMC) tests. The results unequivocally demonstrated that the CROS extract exhibited markedly superior antibacterial efficacy against E. coli, B. cereus, and C. albicans at concentrations of 50, 60, and 70 µg/ml, respectively. Moreover, mice administered with CROS extract enhanced biochemical profiles, including superoxide dismutase (SOD) levels, and improved liver histology compared to those treated with the whole extract. These discerning findings propose that CROS extract harbors substantial promise as a natural and innocuous therapeutic intervention for cancer and microbial infections. Nevertheless, ~~further~~ more research is imperative to support these findings and unravel the intricate mechanisms of its action.

化疗虽然能有效抗癌，但经常会引起严重的不良反应，而且缺乏特异性。红洋葱皮是一种富含多酚和类黄酮的副产品，本研究旨在评估红洋葱皮作为具有抗癌和抗菌特性的天然化合物宝库的潜力。研究人员对两种提取物，特别是乙醇红洋葱皮（EROS）提取物和色谱红洋葱皮（CROS）提取物进行了全面的生物分析。气相色谱-质谱（GC-MS）和红外光谱（IR）显示，色谱法红洋葱皮提取物主要含有二羟基苯甲酸（DHBA）及其衍生物，以及公认能增强二羟基苯甲酸渗透细胞膜的脂肪酸。使用琼脂井扩散法、最小抑菌浓度（MIC）和最小杀菌浓度（MMC）测试系统地评估了提取物对革兰氏阳性菌、革兰氏阴性菌和酵母菌的抗菌活性。结果明确显示，CROS 提取物在浓度分别为 50、60 和 70 µg/ml 时，对大肠杆菌、蜡样芽孢杆菌和白僵菌具有明显的抗菌效果。此外，与接受全提取物治疗的小鼠相比，接受 CROS 提取物治疗的小鼠的生化指标（包括超氧化物歧化酶 (SOD) 水平）有所提高，肝脏组织学也有所改善。这些有说服力的研究结果表明，CROS 提取物有望成为一种天然、无害的癌症和微生物感染干预疗法。然而，为了支持这些发现并揭示其复杂的作用机制，进一步的研究势在必行。

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引用次数: 0

A novel two-dimensional lattice-free mathematical model of fungal mycelia and its dynamic simulation 新型二维无格子真菌菌丝体数学模型及其动态模拟

IF 3.7 3区生物学 Q2 BIOCHEMISTRY & MOLECULAR BIOLOGY

Process Biochemistry

Pub Date : 2024-10-29 DOI: 10.1016/j.procbio.2024.10.017

Yuan Hao , Mengmeng Xu , Qiong Wang , Jingxiang Zhang , Liting Zhao , Lei Chen , Guiyang Shi , Manfeng Hu , Zhongyang Ding

Filamentous fungi represent a diverse group of microorganisms, encompassing industrially significant species such as Aspergillus oryzae and Aspergillus niger, as well as biologically active, edible, and medicinal fungi such as Ganoderma lucidum (G. lucidum) and Auricularia auricula. The morphology of filamentous fungal mycelia is crucial for species development, natural product synthesis, and environmental adaptation. Therefore, accurate qualitative and quantitative assessment of mycelial morphology is imperative. Mathematical modeling is a useful tool for investigating microbial morphology, aiding in experimental research on mycelial development. However, owing to the inherent complexity of mycelial development, it cannot be fully captured by existing models. This paper presents a two-dimensional, lattice-free mathematical model using MATLAB (R2023b). The model incorporates hyphal tip extension, branching, anastomosis, and energy translocation, while introducing continuous growth, range anastomosis, and variable growth length behaviors. These enhancements allow more accurate simulation of real mycelial growth patterns. The model was used to simulate and optimize G. lucidum growth, and its accuracy was verified. Our findings indicate that the proposed model effectively simulates filamentous fungi mycelial growth and provides a generalized framework for describing the morphology of other filamentous fungi.

丝状真菌是一个多样化的微生物群体，包括具有重要工业意义的物种，如黑曲霉和黑麴霉，以及具有生物活性、可食用和药用的真菌，如灵芝（G. lucidum）和金针菇（Auricularia auricula）。丝状真菌菌丝体的形态对物种发展、天然产物合成和环境适应至关重要。因此，必须对菌丝形态进行准确的定性和定量评估。数学模型是研究微生物形态的有用工具，有助于菌丝发育的实验研究。然而，由于菌丝发育本身的复杂性，现有模型无法完全捕捉到它。本文使用 MATLAB (R2023b) 建立了一个二维无格子数学模型。该模型包含了菌丝顶端延伸、分枝、吻合和能量转换，同时引入了连续生长、范围吻合和可变生长长度行为。这些改进可以更准确地模拟真实的菌丝生长模式。该模型被用于模拟和优化 G. lucidum 的生长，其准确性得到了验证。我们的研究结果表明，所提出的模型能有效模拟丝状真菌的菌丝生长，并为描述其他丝状真菌的形态提供了一个通用框架。

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引用次数: 0

Polyhydroxyalkanoates as matrices for enzyme immobilization: In vivo and In vitro approaches 作为酶固定化基质的聚羟基烷酸酯：体内和体外方法

IF 3.7 3区生物学 Q2 BIOCHEMISTRY & MOLECULAR BIOLOGY

Process Biochemistry

Pub Date : 2024-10-29 DOI: 10.1016/j.procbio.2024.10.016

Kirti Garg, Rutika Sehgal, Divya Sharma, Reena Gupta

Since polyhydroxyalkanoates (PHAs) are biodegradable, bioresourced and biocompatible, they are versatile biopolymers having huge applicability in food packaging, biomedicine, drug delivery systems, production of biofuels and many other fields. With the use of waste carbon sources or renewable feedstocks, their process of production can be made cost effective. Moreover, just by exploiting PHA synthesis enzymes, they can also be produced in vivo i.e., without employing microbial cell. Thanks to this adaptable PHA nanogranular technology, it also has become possible to immobilize a huge variety of enzymes, creating a novel and promising set of immobilization techniques. In comparison to soluble enzymes, immobilized enzymes have a number of significant benefits, like increased stability, higher catalytic activity, extended shelf life, recycling for repeated use and easier purification of the product, however, showing some limitations (like improper orientation, substrate diffusion and enzyme deactivate etc) as well. Due to directed display and a high surface area to volume ratio, the PHA based enzyme immobilization platform offers flexibility, stability and excellent functionality. The nano or micro beads of PHA produced in vitro, act as matrix for enzyme immobilization being both economically appealing and potentially applicable in a variety of process circumstances. The developments in synthetic biology and material science to produce more effective, adaptable PHA-enzyme systems for industrial and environmental applications, are future prospects for enzyme immobilization on PHA. It is important to optimize enzyme-PHA interactions for enhanced efficiency and cost effective industry level production processes. This review highlights the importance and great utility of PHA for enzyme immobilization. It mainly focuses on the in vivo and in vitro enzyme immobilization studies done so far, using latest technologies to enhance the properties of immobilized enzymes.

由于聚羟基烷酸酯（PHAs）具有生物降解性、生物来源性和生物相容性，因此是一种多功能生物聚合物，在食品包装、生物医学、给药系统、生物燃料生产和许多其他领域具有巨大的应用价值。利用废弃碳源或可再生原料，可以使其生产过程具有成本效益。此外，只需利用 PHA 合成酶，它们也可以在体内生产，即无需使用微生物细胞。由于这种 PHA 纳米颗粒技术适应性强，还可以固定多种酶，从而创造出一套新颖而有前途的固定技术。与可溶性酶相比，固定化酶有许多显著的优点，如稳定性更强、催化活性更高、保质期更长、可回收重复使用以及更容易纯化产品，但也有一些局限性（如定向不当、底物扩散和酶失活等）。由于定向显示和高表面积体积比，基于 PHA 的酶固定化平台具有灵活性、稳定性和出色的功能性。体外生产的 PHA 纳米或微珠可作为酶固定的基质，既经济又适用于各种工艺环境。合成生物学和材料科学的发展，为工业和环境应用提供了更有效、适应性更强的 PHA-酶系统，这是 PHA 上酶固定化的未来前景。优化酶与 PHA 的相互作用对于提高效率和成本效益的工业级生产工艺非常重要。本综述强调了 PHA 在酶固定化方面的重要性和巨大作用。它主要侧重于迄今为止所做的体内和体外酶固定化研究，利用最新技术提高固定化酶的特性。

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引用次数: 0

The potential of protein hydrolysates from marine by-products: Mechanisms, health benefits, applications, future prospects, and challenges 海洋副产品水解蛋白的潜力：机理、健康益处、应用、未来前景和挑战

IF 3.7 3区生物学 Q2 BIOCHEMISTRY & MOLECULAR BIOLOGY

Process Biochemistry

Pub Date : 2024-10-28 DOI: 10.1016/j.procbio.2024.10.008

Mei Qi Gan , Jay Min Poh , Seng Joe Lim , Lee Sin Chang

Growing consumer demand for fishery products has increased the quantity of by-products that are thrown out since they possess little market value, eventually led to unsustainable practices in the marine sectors and negative environmental repercussions. Marine by-products consist of high protein content, nutritional qualities and biological activities that are beneficial to human health. These valuable proteins could come from different sources and are often extracted using different operations. Therefore, this review focuses on several methods of using protein hydrolysis for extracting bioactive peptides from marine by-products. This review also discusses different sources of marine by-products that can yield bioactive peptides and their beneficial biological activities, such as antioxidant, antihypertensive, anticancer, anti-obesity, and other bioactivities, that are advantageous in a variety of industries, like food, cosmetics, aquaculture, and pharmaceuticals. Furthermore, the complications associated with using marine protein hydrolysates from their by-product as well as the sustainability of these technologies would be discussed.

消费者对渔业产品日益增长的需求增加了被丢弃的副产品数量，因为这些副产品几乎没有市场价值，最终导致海洋领域不可持续的做法和对环境的负面影响。海洋副产品蛋白质含量高，营养丰富，具有有益于人类健康的生物活性。这些宝贵的蛋白质可能来自不同的来源，通常采用不同的方法提取。因此，本综述重点介绍了几种利用蛋白质水解从海洋副产品中提取生物活性肽的方法。本综述还讨论了可产生生物活性肽的海洋副产品的不同来源及其有益的生物活性，如抗氧化、抗高血压、抗癌、抗肥胖和其他生物活性，这些生物活性在食品、化妆品、水产养殖和制药等多种行业中具有优势。此外，还将讨论从副产品中使用海洋蛋白质水解物的复杂性以及这些技术的可持续性。

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引用次数: 0

An innovative utilization approach for by-products of biogas desulfurization：Co-hydrothermal treatment of sulfur with biogas slurry to prepare sulfur-enriched liquid fertilizer 沼气脱硫副产品的创新利用方法：用沼气浆协同水热处理硫磺以制备富硫液体肥料

IF 3.7 3区生物学 Q2 BIOCHEMISTRY & MOLECULAR BIOLOGY

Process Biochemistry

Pub Date : 2024-10-28 DOI: 10.1016/j.procbio.2024.10.015

Zhijie Xie , Fang Deng , Yuqin Wan , Yiping Luo , Qin Cao , Yichao Chen , Dong Li

The sulfur bioavailability enhancement introduced by the co-hydrothermal treatment of sulfur with corn straw biogas slurry was evaluated, and the effects of different sulfur speciation on plant and soil were explored via kale pot experiment. Based on this, an innovative methodology was proposed to prepare sulfur-enriched liquid fertilizer via co-hydrothermal treatment of BS and sulfur. The addition of sulfur element promoted the yield and quality of kale, and significantly impacted soil microorganisms. Notably, after co-hydrothermal treatment of biogas slurry and elemental sulfur, such effect on kale and microorganisms was more pronounced among different treatments due to the diverse sulfur speciation, where the maximum fresh weight, dry weight, and anthocyanin content of seeding kale increased by 115.52 %, 79.87 %, and 357 % compared with the control group. Moreover, co-hydrothermal treatment improved the bioavailability of sulfur. After applying hydrothermal sulfur, the sulfur content of kale increased by 18.65 % and 21.95 % compared to the experimental group treated with elemental sulfur and sulfate, respectively. The enhancement of hydrothermal sulfur on the kale growth was attributed to the improved sulfur utilization efficiency, the alleviated salt stress, the reduced plant pathogens, and the enriched plant growth-promoting microbes.

通过甘蓝盆栽实验，评估了硫与玉米秸秆沼气浆共水热处理对硫的生物利用率的提高，并探讨了不同硫分对植物和土壤的影响。在此基础上，提出了一种创新方法，即通过 BS 与硫的共水热处理制备富硫液体肥料。硫元素的添加促进了甘蓝的产量和质量，并对土壤微生物产生了显著影响。值得注意的是，沼气浆和元素硫共同水热处理后，由于硫的种类不同，对甘蓝和微生物的影响在不同处理中更为明显，与对照组相比，播种甘蓝的最大鲜重、干重和花青素含量分别增加了 115.52 %、79.87 % 和 357 %。此外，共同水热处理提高了硫的生物利用率。与使用元素硫和硫酸盐处理的实验组相比，使用水热硫后甘蓝中的硫含量分别增加了 18.65 % 和 21.95 %。水热硫对甘蓝生长的促进作用可归因于硫利用效率的提高、盐胁迫的缓解、植物病原体的减少以及植物生长促进微生物的丰富。

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引用次数: 0

Hemicellulose enriched dietary fiber from Asian pear pomace: Enzymatic approach for assessing potential prebiotic and immunomodulatory properties 从亚洲梨渣中提取富含半纤维素的膳食纤维：评估潜在益生元和免疫调节特性的酶解方法

IF 3.7 3区生物学 Q2 BIOCHEMISTRY & MOLECULAR BIOLOGY

Process Biochemistry

Pub Date : 2024-10-28 DOI: 10.1016/j.procbio.2024.10.014

Sumin Pyeon , Jeongjin Park , Deepti Bharti , Chang-Seok Lee , Woojin Jun , Kwang-Yeol Yang , Seung-Hee Nam

Pear pomace, a byproduct of juice production, contains valuable but underutilized dietary fibers. Our focus was on enzymatically treating this fiber to produce a hemicellulose-rich powder. The pear pomace was sieved to remove non-edible stone cells. Among the 11 commercial enzymes, Trichoderma reesei-derived enzyme with cellulase and β-glucanase activities was found optimal for improving the hemicellulose content. The enzyme-treated pomace dietary fiber (PDE) exhibited a 2.5-fold increase in hemicellulose contents, lower and uniformed particle sizes, 8-fold higher solubility, and 3-fold higher water-/oil-holding capacity than the pear pomace powder. The highest production yield of PDE (74.5 %) and hemicellulose content (21.1 %) were observed on incubating 1 % (w/v) enzyme and 8 % (w/v) pear pomace for 24 h. PDE showed prebiotic properties by promoting the growth of Bifidobacterium infantis by 9 % and inhibiting the growth of Salmonella typhimurium by 50 % compared to positive control (β-glucan) in a co-culture system. The anti-inflammatory effect of PDE was verified by ELISA. The results revealed reduced secretion of nitric oxide (30 %), TNF-α (71 %), and IL-6 (46 %) in LPS-stimulated RAW 264.7 cells. Moreover, qRT-PCR confirmed that PDE enhanced cytokine production upon treatment of cells with an immunosuppressant by regulating the nuclear factor kappa B signaling pathway.

梨渣是果汁生产的副产品，含有宝贵但未充分利用的膳食纤维。我们的重点是对这种纤维进行酶处理，生产出富含半纤维素的粉末。梨渣经过筛分，以去除不可食用的结石细胞。在 11 种商业酶中，我们发现具有纤维素酶和 β-葡聚糖酶活性的毛霉菌酶是提高半纤维素含量的最佳酶。与梨渣粉相比，经酶处理的梨渣膳食纤维（PDE）的半纤维素含量提高了 2.5 倍，粒度更小且均匀，溶解度提高了 8 倍，持水/持油能力提高了 3 倍。将 1 %（w/v）的酶和 8 %（w/v）的梨渣培养 24 小时后，可观察到最高的 PDE 产量（74.5 %）和半纤维素含量（21.1 %）。在共培养系统中，与阳性对照（β-葡聚糖）相比，PDE 可促进婴儿双歧杆菌生长 9%，抑制鼠伤寒沙门氏菌生长 50%，从而显示出益生元特性。酶联免疫吸附试验验证了 PDE 的抗炎作用。结果显示，在 LPS 刺激的 RAW 264.7 细胞中，一氧化氮（30%）、TNF-α（71%）和 IL-6 （46%）的分泌量均有所减少。此外，qRT-PCR 证实，PDE 通过调节核因子卡巴 B 信号通路，在用免疫抑制剂处理细胞时增强了细胞因子的产生。

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引用次数: 0

Immobilized lipase post-encapsulated in Cu-based MOFs with promoted stability in biodiesel synthesis 固定化脂肪酶后封装在铜基 MOF 中，提高了生物柴油合成的稳定性

IF 3.7 3区生物学 Q2 BIOCHEMISTRY & MOLECULAR BIOLOGY

Process Biochemistry

Pub Date : 2024-10-26 DOI: 10.1016/j.procbio.2024.10.013

Hongbo Suo , Xinzheng Liu , Shu Chen , Qi Li , Xiangnan Liu , Lili Xu

Biodiesel is more environmentally friendly compared to traditional petroleum diesel. The method of producing biodiesel catalyzed by lipases, as a green chemistry technology, can further reduce its negative impact on the environment. In this work, lipase immobilized on magnetic cellulose was embedded in Cu(PABA), and then the biocomposite (MCL@Cu(PABA)) was used for biodiesel production. The good biocompatibility and flexible skeleton structure of cellulose can buffer the compression effect on enzyme molecules during the formation of Metal-Organic Frameworks (MOFs), and the MOFs protective layer can reduce the damage caused by denaturants to enzyme molecules. The biocatalyst showed enhanced activity and stability with a lower deactivation constant (K_d). Under the optimized reaction conditions, the biodiesel yield can reach 78.4 %. After reused for 7 times, the biocatalyst can still achieve a biodiesel yield of 58.8 %. Moreover, after stored for 30 days, the biodiesel yield can still reach 70.3 %. For all experimental yields, the standard deviation (SD) ranged from 2.4 % to 4.5 %. Secondary structure analysis showed that the rigid structure and active conformation of lipase was enhanced after Cu(PABA) encapsulation.

与传统的石油柴油相比，生物柴油更加环保。作为一种绿色化学技术，利用脂肪酶催化生产生物柴油的方法可以进一步减少其对环境的负面影响。本研究将固定在磁性纤维素上的脂肪酶包埋在 Cu(PABA)中，然后利用该生物复合材料（MCL@Cu(PABA)）生产生物柴油。纤维素良好的生物相容性和柔性骨架结构可缓冲金属有机框架（MOFs）形成过程中对酶分子的挤压作用，MOFs 保护层可减少变性剂对酶分子的破坏。该生物催化剂具有更高的活性和稳定性，失活常数（Kd）更低。在优化的反应条件下，生物柴油产率可达 78.4%。生物催化剂重复使用 7 次后，生物柴油产率仍可达 58.8%。此外，存放 30 天后，生物柴油产量仍可达 70.3%。所有实验产量的标准偏差（SD）在 2.4 % 至 4.5 % 之间。二级结构分析表明，包裹 Cu（PABA）后，脂肪酶的刚性结构和活性构象得到了增强。

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引用次数: 0

Enhanced propanethiol biodegradation by an optimized propanethiol oxidoreductase in microbial cells within an electrode bioreactor 电极生物反应器内微生物细胞中的优化丙硫醇氧化还原酶增强了丙硫醇的生物降解能力

IF 3.7 3区生物学 Q2 BIOCHEMISTRY & MOLECULAR BIOLOGY

Process Biochemistry

Pub Date : 2024-10-24 DOI: 10.1016/j.procbio.2024.10.012

Pei Qiao , Jinhui Chen , Tong Zhou , Qun Ye , Lingling Han , Jingkai Zhao , Jianmeng Chen , Weihong Zhong

Propanethiol oxidoreductase (PTO) is a novel thiol-oxidizing enzyme from Pseudomonas putida S-1 that utilizes thiols as the sole nutrition source. This enzyme has shown application potential in the bioremediation of thiols, its substrate selectivity, however, has not yet been elucidated. This study reveals that PTO exhibits catalytic activity towards ethanethiol, propanethiol, and butanethiol, but not methanethiol or phenylmethanethiol, indicating unique substrate specificity. Through directed evolution and semi-rational design, we engineered a PTO mutant (A54V&G316T) with twice the specific activity towards propanethiol than the wild type (from 17.3 to 40.7 μg/mg/h). Applying voltage in electrode bioreactors enhanced the microbial degradation of propanethiol, with the mutant PTO further accelerating this process. Both non-native expression in E. coli and native expression in engineered P. putida S-1 demonstrated the mutant PTO's effectiveness in increasing PT removal rates. The PT degradation efficiency of engineered P. putida S-1 increases by 3-fold compared to the wild-type in the first 5 hours. These findings highlight the potential of combining metabolic and electrochemical engineering to enhance bioremediation of toxic compounds. The engineered PTO mutant improves PT degradation efficiency and broadens its application in practical bioremediation strategies.

丙硫醇氧化还原酶（PTO）是一种来自假单胞菌 S-1 的新型硫醇氧化酶，它利用硫醇作为唯一的营养源。这种酶在硫醇的生物修复方面具有应用潜力，但其底物选择性尚未阐明。本研究发现，PTO 对乙硫醇、丙硫醇和丁硫醇具有催化活性，但对甲硫醇和苯甲硫醇不具有催化活性，这表明它具有独特的底物特异性。通过定向进化和半理性设计，我们设计出了一种 PTO 突变体（A54V&G316T），其对丙硫醇的特异性活性是野生型的两倍（从 17.3 μg/mg/h 提高到 40.7 μg/mg/h）。在电极生物反应器中施加电压增强了微生物对丙硫醇的降解，突变体 PTO 进一步加速了这一过程。在大肠杆菌中的非原生表达和在工程普氏菌 S-1 中的原生表达都证明了突变体 PTO 在提高 PT 去除率方面的有效性。与野生型相比，在最初的 5 个小时内，工程 P. putida S-1 的 PT 降解效率提高了 3 倍。这些发现凸显了结合代谢工程和电化学工程来提高有毒化合物生物修复能力的潜力。工程化的 PTO 突变体提高了 PT 的降解效率，扩大了其在实际生物修复策略中的应用。

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引用次数: 0

Optimization of ultrasound-assisted extraction of bioactive compounds from Carthamus caeruleus L. rhizome: Integrating central composite design, Gaussian process regression, and multi-objective Grey Wolf optimization approaches 优化超声辅助提取草豆蔻根茎中的生物活性化合物：整合中心复合设计、高斯过程回归和多目标灰狼优化方法

IF 3.7 3区生物学 Q2 BIOCHEMISTRY & MOLECULAR BIOLOGY

Process Biochemistry

Pub Date : 2024-10-23 DOI: 10.1016/j.procbio.2024.10.009

Hamza Moussa , Farid Dahmoune , Sabrina Lekmine , Amal Mameri , Hichem Tahraoui , Sarah Hamid , Nourelimane Benzitoune , Nassim Moula , Jie Zhang , Abdeltif Amrane

The prediction of ultrasound-assisted extraction (UAE) for total phenolic content (TPC) and total flavonoid content (TFC) from Carthamus caeruleus L. rhizomes was conducted using a Gaussian process regression model (GPR) with a multi-objective Grey Wolf optimization approach (MOGWO). A central composite design (CCD) was employed first, examining ethanol concentration, temperature, time, and solvent-to-solid ratio as independent variables. TPC and TFC responses were analyzed under various conditions, revealing significant quadratic and interaction effects (p < 0.05). The GPR was then utilized to predict TPC and TFC, showing high accuracy with correlation coefficients near 1 and minimal root mean square error (RMSE) values. To simultaneously maximize TPC and TFC, the MOGWO was used in a multi-objective framework. Validation through CCD and GPR highlighted GPR's superior predictive accuracy. Optimal conditions (10 % ethanol, 40°C, 20 minutes sonication, and 50 mL g⁻¹ solvent to solid ratio) showed significant discrepancies in CCD predictions but high accuracy in GPR predictions. An interactive tool predicts TPC and TFC using CCD and GPR models. Users input extraction parameters and receive predictions, with a GWO-based optimization module for optimal conditions. The interface enables model comparison, improves process understanding, and optimizes bioactive compound extraction.

采用高斯过程回归模型（GPR）和多目标灰狼优化方法（MOGWO），对超声辅助萃取（UAE）提取草豆蔻根茎中的总酚含量（TPC）和总黄酮含量（TFC）进行了预测。首先采用中心复合设计（CCD），将乙醇浓度、温度、时间和溶剂与固体比率作为自变量进行研究。对各种条件下的 TPC 和 TFC 反应进行了分析，发现了显著的二次效应和交互效应（p < 0.05）。然后利用 GPR 预测 TPC 和 TFC，结果显示相关系数接近 1 且均方根误差 (RMSE) 值最小，准确性很高。为了同时使 TPC 和 TFC 最大化，在多目标框架中使用了 MOGWO。通过 CCD 和 GPR 验证，GPR 的预测准确性更胜一筹。最佳条件（10% 乙醇、40°C、20 分钟超声处理和 50 mL g-1 溶剂与固体之比）表明，CCD 预测结果存在显著差异，但 GPR 预测结果具有很高的准确性。交互式工具利用 CCD 和 GPR 模型预测 TPC 和 TFC。用户输入萃取参数并接收预测结果，还可通过基于 GWO 的优化模块获得最佳条件。通过该界面可以进行模型比较，加深对工艺的理解，并优化生物活性化合物的提取。

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引用次数: 0