secondary structure

二级结构
  • 文章类型: Journal Article
    在冷冻蛋白墨水中加入抗冻肽(AFP)是必然趋势,因为AFP可以使冷冻后的蛋白墨水适合3D打印。首先研究了基于AFP的鱼糜墨水(ASI),AFP显着增强了冷冻鱼糜墨水的3D打印性。ASI的流变学和纹理结果表明,τ0,K,n值为321.14Pa,2.2259×105Pa·sn,和分别为0.19,3D结构的断裂强度高达217.67g。圆二色性,分子间作用力,和差示扫描量热仪显示,与鱼糜墨水(SI)相比,ASI在冷冻后具有更多的未变性蛋白,变性了,由于氢键的破坏和疏水基团的暴露,α-螺旋变为β-折叠。水的分布,持水能力,微观结构表明,ASI在冷冻后有效结合游离水,而SI具有弱的水结合能力,并形成大量的自由水。ASI适用于3D打印,并且可以打印高达40.0毫米的中空隔离柱和50.0毫米高的Wuba,这是不可能的SI。AFP的应用为3D打印冷冻蛋白墨水在食品工业中的应用提供了指导。
    Antifreeze peptide (AFP) including in frozen protein ink is an inevitable trend because AFP can make protein ink suitable for 3D printing after freezing. AFP-based surimi ink (ASI) was firstly investigated, and the AFP significantly enhanced 3D printability of frozen surimi ink. The rheological and textural results of ASI show that the τ0, K, and n values are 321.14 Pa, 2.2259 × 105 Pa·sn, and 0.19, respectively, and the rupture strength of the 3D structure is up to 217.67 g. Circular dichroism, intermolecular force, and differential scanning calorimeter show ASI has more undenatured protein after freezing when compared that surimi ink (SI), which was denatured, and the α-helix changed to a β-sheet due to the destruction of hydrogen bonds and the exposure of hydrophobic groups. The water distribution, water holding capacity, and microstructure indicate that ASI effectively binds free water after freezing, while SI has weak water binding capacity and a large amount of free water is formed. ASI is suitable for 3D printing, and can print up to 40.0 mm hollow isolation column and 50.0 mm high Wuba which is not possible with SI. The application of AFP provides guidance for 3D printing frozen protein ink in food industry.
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  • 文章类型: Journal Article
    通过MD模拟研究β-折叠比率和链长度对全β蛋白的影响。在宽温度范围内模拟由具有各种β-折叠比率或不同数量的重复单元的不同重复单元组成的蛋白质样品。模拟结果表明,β-折叠二级结构比例较高的蛋白质获得了较小的回转半径,其具有较低的非结合能量,蛋白质内具有更多的HBs。均方根偏差(RMSD)和均方根波动(RMSF)均随温度的升高而增大,尤其是在链条较长的情况下。根据重复的二级结构也显示了可见周期。RMSF的几个最小值位于参与β-折叠的Cα原子的骨架上,表明它是一种稳定的二级结构。我们还得出结论,具有短链或较低比例β-折叠的蛋白质可以很容易地将其定向和紧凑的结构转化为其他结构,如随机线圈,turns,甚至是α-螺旋。这些结果阐明了从蛋白质的初级水平到3D结构以及潜在预测的蛋白质折叠的关系。
    The effect of β-sheet ratio and chain length on all-β proteins was investigated by MD simulations. Protein samples composed of different repeating units with various β-sheet ratios or a different number of repeating units were simulated under a broad temperature range. The simulation results show that the smaller radius of gyration was achieved by the protein with the higher proportion of β-sheet secondary structure, which had the lower nonbonded energy with more HBs within the protein. The root mean square deviation (RMSD) and the root mean square fluctuation (RMSF) both increased with temperature, especially in the case of a longer chain. The visible period was also shown according to the repeated secondary structure. Several minimum values of RMSF were located on the skeleton of Cα atoms participating in the β-sheet, indicating that it is a kind of stable secondary structure. We also concluded that proteins with a short chain or a lower ratio of β-sheet could easily transform their oriented and compact structures to other ones, such as random coils, turns, and even α-helices. These results clarified the relationship from the primary level to the 3D structure of proteins and potentially predicted protein folding.
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  • 文章类型: Journal Article
    研究了不同比例(w/w)的红茶天然芳香提取物(NAEBT)预乳化对猪肉面糊保水性(WHC)的影响。添加NAEBT可显著降低猪肉面糊的蒸煮损失(CL),从23.95%降至18.30%(P<0.05)。此外,预乳化的NAEBT显著提高了颜色稳定性,增加了弹性(P<0.05)。TBARS和羰基的结果表明,NAEBT预乳化显著减轻了蛋白质的氧化损伤(P<0.05)。导致β折叠水平增加(P<0.05),如FT-IR分析所证实。因此,猪肉面糊的水分流动性受到限制(P<0.05),导致储能模量增加(P<0.05)和孔径减小。总之,NAEBT的抗氧化作用提高了猪肉面糊的WHC。
    The effect of varying proportions (w/w) of natural aromatic extract of black tea (NAEBT) with pre-emulsification on the water-holding capacity (WHC) of pork meat batter was investigated. The addition of NAEBT significantly reduced the cooking loss (CL) of pork meat batter from 23.95 % to 18.30 % (P < 0.05). Furthermore, NAEBT with pre-emulsification significantly improved the color stability and increased the springiness (P < 0.05). The results of TBARS and carbonyls indicated that NAEBT with pre-emulsification significantly alleviated oxidative damage to proteins (P < 0.05), resulting in an increased level of β-sheet (P < 0.05), as confirmed by FT-IR analysis. As a result, the water mobility of pork meat batter was restricted (P < 0.05), resulting in an increase in the energy storage modulus (P < 0.05) and a decrease in the pore size. In summary, the WHC of pork meat batter was improved by the antioxidant effect of the NAEBT.
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  • 文章类型: Journal Article
    醇溶蛋白,来自植物的蛋白质,在制药和食品科学中有广泛的应用。九灶是白酒酿造工业的副产品,是醇溶蛋白的重要来源。尽管它很重要,关于白酒九灶(PBJ)醇溶蛋白提取技术和性质的知识仍然有限。反胶束(RM)提取为纯化蛋白质提供了一种有效且具有成本效益的方法。在本研究中,醇溶蛋白是使用RM提取方法从白酒九灶中提取的,随后对其二级结构进行了表征,形态学,和粒度分布。我们的发现表明,使用进一步的RM提取提取的纯化的醇溶蛋白具有更高的α-螺旋含量(13.25%),形成大规模的蛋白质网络,与NaOH-乙醇法获得的粗谷醇溶蛋白相比,粒径分布更窄。这项研究表明,RMs提取在从酿造工业副产品中提取醇溶蛋白方面具有潜在的应用,提供一种环保的白酒九灶回收方式。
    Prolamins, proteins derived from plants, have extensive applications in pharmaceutics and food science. Jiuzao is a byproduct of the Baijiu brewing industry, and is a great source of prolamin. Despite its importance, knowledge regarding the extraction techniques and the properties of prolamin derived from Baijiu Jiuzao (PBJ) remains limited. Reverse micelles (RMs) extraction offers an efficient and cost-effective method for purifying proteins. In the present study, prolamin was extracted from Baijiu Jiuzao using RMs extraction and subsequently characterized in terms of its secondary structure, morphology, and particle size distribution. Our findings indicate that the purified prolamin extracted using further RMs extraction possessed higher α-helix content (+13.25%), forming a large-scale protein network, and narrower particle size distributions compared to the crude prolamin obtained by NaOH-ethanol method. This research suggests that RMs extraction has potential applications in extracting prolamin from brewing industry byproducts, offering an environmentally friendly approach to Baijiu Jiuzao recycling.
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  • 文章类型: Journal Article
    最近AlphaFold2在蛋白质结构预测中的成功很大程度上依赖于来自巨大的同源蛋白质序列的共同进化信息,蛋白质序列的综合数据库(大奇幻数据库)。相比之下,现有的核苷酸数据库没有合并以促进更广泛和更深入的同源性搜索.这里,我们通过整合来自RNAcentral的非编码RNA(ncRNA)序列建立了一个全面的数据库,来自宏基因组学RAST(MG-RAST)的转录组组装和宏基因组组装,基因组仓库(GWH)的基因组序列,和MGnify的基因组序列,除了核苷酸(nt)数据库及其子集在国家生物技术信息中心(NCBI)。所得的所有可能RNA序列的主数据库(MARS)比NCBI的nt数据库大20倍或比RNAcentral大60倍。与现有的最新技术相比,新的数据集以及新的拆分搜索策略可以大大改善同源性搜索。对于映射到Rfam的大多数结构化RNA,它也比来自Rfam的手动管理MSA产生更准确和更敏感的多序列比对(MSA)。结果表明,MARS与全自动同源性搜索工具RNAcmap相结合将有助于改善基于MSA的ncRNAs和RNA语言模型的结构和功能推断。MARS可以在https://ngdc访问。cncb.AC.cn/omix/release/OMIX003037和RNAcmap3可在http://zhouyq-lab访问。szbl.AC.cn/download/.
    Recent success of AlphaFold2 in protein structure prediction relied heavily on co-evolutionary information derived from homologous protein sequences found in the huge, integrated database of protein sequences (Big Fantastic Database). In contrast, the existing nucleotide databases were not consolidated to facilitate wider and deeper homology search. Here, we built a comprehensive database by incorporating the non-coding RNA (ncRNA) sequences from RNAcentral, the transcriptome assembly and metagenome assembly from metagenomics RAST (MG-RAST), the genomic sequences from Genome Warehouse (GWH), and the genomic sequences from MGnify, in addition to the nucleotide (nt) database and its subsets in National Center of Biotechnology Information (NCBI). The resulting Master database of All possible RNA sequences (MARS) is 20-fold larger than NCBI\'s nt database or 60-fold larger than RNAcentral. The new dataset along with a new split-search strategy allows a substantial improvement in homology search over existing state-of-the-art techniques. It also yields more accurate and more sensitive multiple sequence alignments (MSAs) than manually curated MSAs from Rfam for the majority of structured RNAs mapped to Rfam. The results indicate that MARS coupled with the fully automatic homology search tool RNAcmap will be useful for improved structural and functional inference of ncRNAs and RNA language models based on MSAs. MARS is accessible at https://ngdc.cncb.ac.cn/omix/release/OMIX003037, and RNAcmap3 is accessible at http://zhouyq-lab.szbl.ac.cn/download/.
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  • 文章类型: Journal Article
    脱胶是丝绸纺织工业和丝绸基先进材料工艺中最关键的一步。然而,由于效率不足,目前常见的脱胶技术在很大程度上受到限制,明显的水解损害和难以长期储存。这里,探索了由氯化胆碱(ChCl)和尿素组成的低共熔溶剂(DES)对Bombyxsori蚕丝纤维脱胶的方法,而无需进行任何进一步的处理。与传统碱法相比,DES可以在短短40分钟内快速去除约26.5%的丝胶,七个循环后其脱胶效率几乎没有下降。由于DES分子的“大体积”脱胶机理,所得丝胶具有250kDa的大分子量。此外,由于抗菌活性和稳定作用,在获得的丝胶蛋白/DES溶液中没有发生聚集并且触发了强烈的细菌生长抑制。此外,由于结晶区的良好保留和无定形区的轻微膨胀,无丝胶的丝心蛋白显示出水分吸收和染料吸收的显着增加,同时保持良好的机械性能。具有高效率的特点,减少水污染,易于储存丝胶和高质量的纤维,这种方法对于丝绸湿法加工具有很大的潜力。
    Degumming is the most critical step for the silk textile industry and the process of silk-based advanced materials. However, current common degumming techniques are largely limited because of insufficient efficiency, obvious hydrolysis damage and difficulty in long-term storage. Here, deep eutectic solvent (DES) constituted of choline chloride (ChCl) and urea was explored to Bombyx mori silk fibers degumming without combining any further treatment. Compared to traditional alkali methods, DES could quickly remove about 26.5 % of sericin in just 40 min, and its degumming efficiency hardly decrease after seven cycles. Owing to the \"tear off\" degumming mechanism of DES molecules with \"large volume\", the resulted sericin has a large molecular weight of 250 kDa. In addition, because of antibacterial activity and stabilizing effect, no aggregation occurred and strong bacterial growth inhibition was triggered in the obtained sericin/DES solution. Furthermore, thanks to the good retention of crystalline region and slight swelling of amorphous area, the sericin-free fibroin showed significant increases in moisture absorption and dye uptake, while maintaining good mechanical properties. Featured with high efficiency, reduction in water pollution, easy storage of sericin as well as high quality fibers, this approach is of great potential for silk wet processing.
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  • 文章类型: Journal Article
    具有抗微生物活性或蛋白酶抑制活性的肽是补充传统抗生素或癌症化疗的潜在候选物。然而,许多肽的潜力受到诸如细胞毒性或水解敏感性等缺点的限制。因此,修饰有希望的肽结构的策略可能是开发更有希望的临床候选药物的有效方法。在这项研究中,成熟肽OSTI-1949,一种来自Odorranaschmackeri的Kunitz型抑制剂,并成功合成了四个设计的类似物。与母体肽相反,类似物显示出令人印象深刻的多功能,包括抗菌,抗癌,和胰蛋白酶抑制活性。在安全方面,在最高测试浓度下,溶血活性没有明显变化,和类似物OSTI-2461显示对癌细胞系的活性增加,而对正常细胞(HaCaT)无细胞毒性。总之,通过天然Kunitz型肽的结构修饰,类似物的生物活性得到改善,同时保持低细胞毒性。通过形成人工α-螺旋和β-折叠结构增强螺旋度的策略为开发用于临床治疗的原始生物活性肽提供了有希望的方法。
    Peptides with antimicrobial activity or protease inhibitory activity are potential candidates to supplement traditional antibiotics or cancer chemotherapies. However, the potential of many peptides are limited by drawbacks such as cytotoxicity or susceptibility to hydrolysis. Therefore, strategies to modify the structure of promising peptides may represent an effective approach for developing more promising clinical candidates. In this study, the mature peptide OSTI-1949, a Kunitz-type inhibitor from Odorrana schmackeri, and four designed analogues were successfully synthesised. In contrast to the parent peptide, the analogues showed impressive multi-functionality including antimicrobial, anticancer, and trypsin inhibitory activities. In terms of safety, there were no obvious changes observed in the haemolytic activity at the highest tested concentration, and the analogue OSTI-2461 showed an increase in activity against cancer cell lines without cytotoxicity to normal cells (HaCaT). In summary, through structural modification of a natural Kunitz-type peptide, the biological activity of analogues was improved whilst retaining low cytotoxicity. The strategy of helicity enhancement by forming an artificial α-helix and ß-sheet structure provides a promising way to develop original bioactive peptides for clinical therapeutics.
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  • 文章类型: Journal Article
    植物甾醇(PS)是一种类固醇,其生物利用度可以通过与C-24羟基中的蛋白质相互作用来提高。酶水解可以增强甾醇与蛋白质中氨基酸残基之间的相互作用。选择由Alcalase酶在不同的酶促水解时间制备的植物甾醇和乳清绝缘水解产物(WPH1-4)作为递送系统,以模拟甾醇C-24羟基与蛋白质的相互作用。增加水解时间可以促进β-Lg的产生,这提高了二级结构中β转角的比例,并促进了WPH和PS之间相互作用的形成。氢键与包封率(EE)和生物可及性的相关系数分别为0.91和0.88(P<0.05),分别,说明两种组分的氢键通过隐藏疏水性氨基酸和一些残基显著影响了组合,PS与WPI水解产物组合后,PSEE和生物利用度分别提高了3.03和2.84倍。这些发现有望通过蛋白酶水解增强PS和其他大分子的吸收,以扩大其在食品中的应用。
    Phytosterol (PS) is a steroid, and its bioavailability can be enhanced by interacting with protein in the C-24 hydroxyl group. The interaction between sterols and amino acid residues in proteins can be enhanced by enzymatic hydrolysis. Phytosterol and whey insulation hydrolysates (WPH1-4) fabricated by the Alcalase enzyme at different enzymatic hydrolysis times were selected as delivery systems to simulate sterol C-24 hydroxyl group interaction with protein. Increasing hydrolysis time can promote the production of β-Lg, which raises the ratio of β-turn in the secondary structure and promotes the formation of interaction between WPH and PS. The correlation coefficient between hydrogen bonds and encapsulation efficiency (EE) and bioaccessibility is 0.91 and 0.88 (P < 0.05), respectively, indicating that hydrogen bonds of two components significantly influenced the combination by concealing the hydrophobic amino acids and some residues, which improved PS EE and bioavailability by 3.03 and 2.84 times after PS was combined with the WPI hydrolysate. These findings are expected to enhance the absorption of PS and other macromolecules by protein enzymatic hydrolysis to broaden their applications for food.
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  • 文章类型: Journal Article
    为了提高甘薯和燕麦的价值主张,同时扩大其在进一步加工中的适用性,本研究系统地研究了燕麦粉的掺入比例(甘薯干重的5%-25%)对甘薯-燕麦复合面团及其蒸蛋糕产品质量属性的影响。结果表明,燕麦粉的添加能促进其流变,保水,和热机械性能的复合面团,并改善内部微观结构,特定体积,纹理,和其他加工性能的蒸蛋糕产品。流变学,保水,当燕麦粉的比例为25%时,面团的蛋白质稳定性最大。蒸蛋糕的质地特性,硬度,弹性,凝聚力,附着力,耐嚼,随着燕麦粉的添加,回收率显着增加(p<0.05),粘度显着降低(p<0.05)。值得注意的是,热力学性质,面团的内部结构,和空气保持能力,对加工至关重要,在添加20%的燕麦面粉时显示出最佳效果。因此,建议添加20%-25%的燕麦,以生产具有最佳质量和加工特性的复合面团。实际应用:随着生活水平的提高,传统的谷物可能不再能够满足人们的健康需求。因此,消费者对营养的需求迫切,主食的美味替代品。在这项研究中,将燕麦粉和甘薯糊状物混合制成甘薯燕麦蛋糕,分析了配料配比对甘薯-燕麦粉复合面团性能和品质的影响,从而提出了一种创新的研究方法,发展,以及红薯和燕麦食品的工业生产。
    To enhance the value proposition of sweet potato and oat while broadening their applicability in further processing, this study systematically investigated the impact of oat flour incorporation ratios (5%-25% of sweet potato dry weight) on the quality attributes of sweet potato-oat composite dough and its resulting steamed cake products. The results showed that the addition of oat flour could promote the rheological, water retention, and thermomechanical properties of the composite dough and improve the internal microstructure, specific volume, texture, and other processing properties of the steamed cake products. The rheology, water retention, and protein stability of the dough were maximized when the proportion of oat flour was 25%. The textural properties of steamed cakes, hardness, elasticity, cohesion, adhesion, chewiness, and recovery significantly increased (p < 0.05) and viscosity significantly decreased (p < 0.05) with the addition of oat flour. It is noteworthy that thermodynamic properties, internal structure of the dough, and air holding capacity, which are critical for processing, showed the best results at 20% oat flour addition. Therefore, the addition of 20%-25% oats is recommended to produce composite doughs with optimal quality and processing characteristics. PRACTICAL APPLICATION: As living standards improve, traditional cereals may no longer able to meet people\'s health needs. Therefore, there is an urgent consumer demand for nutritious, tasty alternatives to staple foods. In this study, oat flour and sweet potato mash were mixed to make sweet potato-oat cake, and the effect of ingredient ratio on the performance and quality of composite dough containing sweet potato-oat flour was analyzed, thus proposing an innovative approach to the research, development, and industrial production of sweet potato and oat food products.
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  • 文章类型: Journal Article
    预测蛋白质功能对于理解生物生命过程至关重要,预防疾病和开发新的药物靶点。近年来,基于序列的方法,蛋白质功能注释的结构和生物网络得到了广泛的研究。尽管通过实验或计算方法获得三维结构的蛋白质可以提高功能预测的准确性,通过高通量技术测序的蛋白质的绝对体积提出了重大挑战。为了解决这个问题,我们引入了一个深度神经网络模型DeepSS2GO(二级结构到基因本体)。它是结合二级结构特征以及一级序列和同源性信息的预测器。该算法巧妙地将基于序列的信息的速度与基于结构的特征的准确性相结合,同时简化了主序列中的冗余数据,并绕过了三级结构分析的耗时挑战。结果表明,预测性能优于最先进的算法。它具有通过有效利用二级结构信息来预测关键功能的能力,而不是广泛预测一般的基因本体论术语。此外,DeepSS2GO预测比先进算法快五倍,使其高度适用于海量测序数据。源代码和经过训练的模型可在https://github.com/orca233/DeepSS2GO获得。
    Predicting protein function is crucial for understanding biological life processes, preventing diseases and developing new drug targets. In recent years, methods based on sequence, structure and biological networks for protein function annotation have been extensively researched. Although obtaining a protein in three-dimensional structure through experimental or computational methods enhances the accuracy of function prediction, the sheer volume of proteins sequenced by high-throughput technologies presents a significant challenge. To address this issue, we introduce a deep neural network model DeepSS2GO (Secondary Structure to Gene Ontology). It is a predictor incorporating secondary structure features along with primary sequence and homology information. The algorithm expertly combines the speed of sequence-based information with the accuracy of structure-based features while streamlining the redundant data in primary sequences and bypassing the time-consuming challenges of tertiary structure analysis. The results show that the prediction performance surpasses state-of-the-art algorithms. It has the ability to predict key functions by effectively utilizing secondary structure information, rather than broadly predicting general Gene Ontology terms. Additionally, DeepSS2GO predicts five times faster than advanced algorithms, making it highly applicable to massive sequencing data. The source code and trained models are available at https://github.com/orca233/DeepSS2GO.
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