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Eco-friendly dyeing of cotton fabric using used tea bag extracts: A comprehensive study on pH, fabric cationisation, and computational analysis 用茶包提取物对棉织物进行环保染色:pH值、织物阳离子化和计算分析的综合研究
Q2 Materials Science Pub Date : 2023-01-01 DOI: 10.1016/j.crgsc.2023.100387
Tanvir Hossain, Shohag Chandra Das, Md Akhtarujjaman, Mohammad Abbas Uddin, Sultana Bedoura

The present study aims to explore the eco-friendly dyeing of cotton fabric using extracts from used tea bags, without the need for any metal mordant. Additionally, this research delves into the intricate relationship between pH levels and fabric cationisation, exploring their combined impact on the functional properties of naturally dyed cotton samples. Preceding the dyeing process, the cotton fabric underwent cationisation through the application of 3-chloro-2-hydroxypropyl trimethyl ammonium chloride (CHPTAC) at varying percentages. Subsequently, the fabric was dyed with tea liquor at different concentrations and pH levels. The ensuing investigation encompassed an assessment of color fastness and colorimetric attributes (CIELab, CIELch, ΔE, and K/S) of the dyed cotton fabrics. Furthermore, FTIR analysis was employed to augment our understanding of the dyeing process, while UV-Vis spectroscopy facilitated the quantification of exhaustion and fixation percentages. The results indicate that the highest exhaustion percentage of 88.6% was achieved at pH 13 for cationised fabric with a cationiser concentration of 55 g/L. In comparison, the non-cationised fabric exhibited an exhaustion percentage of 0.75%, while the mordanted (KAI(SO₄)₂.12H₂O) fabric showed 3.6%. Furthermore, the cationised fabric displayed excellent colour fastness to washing, rubbing, and perspiration (rated 4–5) compared to the non-cationised fabric. The stronger interaction calculated with density functional theory (DFT) between theaflavins, one of the primary colour components of tea dye, and cationised cellulose monomers explains the enhanced washing and rubbing fastness observed. The findings emphasize the significant influence of pH and fabric cationisation on dyeing and the functional properties of the dyed fabric.

本研究旨在探索在不需要任何金属媒染剂的情况下,利用废旧茶包提取物对棉织物进行环保染色。此外,本研究深入探讨了pH值与织物阳离子化之间的复杂关系,探索了它们对天然染色棉样品功能特性的综合影响。在染色过程之前,棉织物通过使用不同百分比的3-氯-2-羟丙基三甲基氯化铵(CHPTAC)进行阳离子化。随后,用不同浓度和pH值的茶液对织物进行染色。随后的调查包括对染色棉织物的色牢度和比色属性(CIELab、CIELch、ΔE和K/S)的评估。此外,FTIR分析增加了我们对染色过程的理解,而UV-Vis光谱有助于定量耗尽和固定百分比。结果表明,当阳离子化剂浓度为55 g/L时,pH为13时,阳离子化织物的去除率最高,达到88.6%。非阳离子织物的耗电率为0.75%,而媒质(KAI(SO₄)₂.12 h₂O)织物的耗电率为3.6%。此外,与非阳离子织物相比,阳离子织物表现出优异的耐洗涤、耐摩擦和耐汗色牢度(等级4-5)。用密度泛函理论(DFT)计算得出,茶黄素(茶染料的原色成分之一)与阳离子化纤维素单体之间的相互作用更强,这解释了观察到的洗涤和摩擦牢度的增强。研究结果强调了pH值和织物阳离子化对染色和染色织物功能性能的重要影响。
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引用次数: 0
Evaluating and managing the sustainability performance of investments in green and sustainable chemistry: Development and application of an approach to assess bio-based and biodegradable plastics 评估和管理绿色和可持续化学投资的可持续性表现:开发和应用评估生物基和可生物降解塑料的方法
Q2 Materials Science Pub Date : 2023-01-01 DOI: 10.1016/j.crgsc.2022.100353
Gülşah Yilan , Mauro Cordella , Piergiuseppe Morone

The state of the world urgently calls for a transition toward production and consumption partners that can support a carbon-neutral, circular and sustainable economy. Green and sustainable chemicals, especially, biodegradable and bio-based plastics, are key components of this transition. However, significant financial investments are required for the implementation of green and sustainable chemistry principles and the broader promotion of sustainability. In this regard, the financial sector needs sound approaches to assess the sustainability of investments. With this paper, we show an approach to assess the environmental performance of investments through key performance indicators calculated based on life cycle assessment. The approach is applied for the assessment of a fictitious investment aimed at financing bio-based and biodegradable plastic mulch films. The performance is assessed by comparing changes induced by the investment, compared with what would have happened without the investment (i.e., using fossil-based plastic mulch films). The application of the approach shows that the investment could be in general favourable from an environmental point of view, in particular for the promotion of a more circular and low-carbon economy. The approach could be easily adapted to reflect the specificities of a wide range of investments. However, it should be noted that other environmental, economic, and social aspects may need to be integrated to depict the sustainability performance of investments in a more comprehensive manner.

世界的现状迫切要求向能够支持碳中和、循环和可持续经济的生产和消费伙伴过渡。绿色和可持续的化学品,特别是可生物降解和生物基塑料,是这一转变的关键组成部分。然而,实施绿色和可持续化学原则以及更广泛地促进可持续性需要大量的财政投资。在这方面,金融部门需要健全的方法来评估投资的可持续性。在本文中,我们展示了一种通过基于生命周期评估计算的关键绩效指标来评估投资环境绩效的方法。该方法用于评估一项虚构的投资,旨在为生物基和可生物降解的塑料覆盖薄膜融资。绩效是通过比较投资引起的变化,与没有投资(即使用化石基塑料地膜)的情况进行比较来评估的。该方法的应用表明,从环境的角度来看,投资总体上是有利的,特别是对于促进更加循环和低碳的经济。这种方法可以很容易地加以调整,以反映各种投资的具体情况。但是,应当指出,可能需要综合考虑其他环境、经济和社会方面,以便更全面地描述投资的可持续性业绩。
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引用次数: 1
Acridine yellow G as a photo-induced electron transfer catalyzed radical metal-free synthesis of tetrahydrobenzo[b]pyran scaffolds in an aqueous media 吖啶黄G作为光诱导电子转移催化在水介质中无自由基金属合成四氢苯并[b]吡喃支架
Q2 Materials Science Pub Date : 2023-01-01 DOI: 10.1016/j.crgsc.2023.100356
Farzaneh Mohamadpour

We established a green approach for the radical synthesis of tetrahydrobenzo[b]pyran scaffolds by using Knoevenagel-Michael tandem cyclocondensation of aldehyde derivatives, malononitrile, and dimedone. Using visible light as a renewable energy source, a photo-induced electron transfer (PET) photocatalyst was exploited in an aqueous solution. A low-cost, readily available non-metal dye is the goal of this research. The photochemically catalyzed acridine yellow G (AYG) exhibits high yields, energy efficiency, and environmental friendliness, as well as speed-saving characteristics and ease of use. This allows for tracking of environmental and chemical variables over time. In this study, turnover number (TON) and turnover frequency (TOF) of tetrahydrobenzo[b]pyran scaffolds were determined. It is remarkable that gram-scale cyclization is feasible, indicating that it can be applied to industry.

我们建立了一种绿色自由基合成四氢苯并[b]吡喃支架的方法,采用醛衍生物、丙二腈和二咪酮的Knoevenagel-Michael串联环缩合反应。利用可见光作为可再生能源,在水溶液中制备了光致电子转移(PET)光催化剂。一种低成本、易得的非金属染料是本研究的目标。光化学催化的吖啶黄G (AYG)具有产率高、能效高、环境友好、速度快、使用方便等特点。这允许跟踪环境和化学变量随着时间的推移。本研究测定了四氢苯并[b]吡喃支架的周转数(TON)和周转频率(TOF)。值得注意的是,克级循环是可行的,这表明它可以应用于工业。
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引用次数: 1
Modeling and prediction of CO2 partial pressure in methanol solution using artificial neural networks 甲醇溶液中CO2分压的人工神经网络建模与预测
Q2 Materials Science Pub Date : 2023-01-01 DOI: 10.1016/j.crgsc.2023.100364
Zohreh Khoshraftar, Ahad Ghaemi

CO2 capture techniques are being developed faster by developing models that predict the solubility of CO2 in various solvents. Artificial neural network (ANN) model is developed in the current study to predict the solubility of CO2 in CH3OH + H2O system. Correlations can predict CO2 solubility in liquids (in different mole fractions) for the temperatures of 258–390.0 K and pressure of 0–10 MPa, respectively. In this study, prediction data for the pressure essential to dissolve CO2 in methanol solution are reported for temperature of 258–395.0 K. Multi-layer perceptron (MLP) and radial basis functions (RBF) were applied in this study. The predictions of solubility of carbon dioxide in mixtures of water and methanol are more accurate with MLP-ANN (artificial neural network) than RBF-ANN. The proposed models and reports of experimental data on CO2 partial pressure are found to be in good agreement. It has been found that the ANN technique provides high accuracy and good prediction. As a result, the correlation coefficient R2 = 0.99 was highly accurate and the mean square error (MSE) was less than 0.1. Levenberg-Marquardt (trainlm) with the lowest MSE measured at 0.00072863 with the strongest regression coefficient (R2). The best MSE validation performance of MLP and RBF networks was 0.0066566 and 0.2166952 at 30 epochs and 50 epochs, respectively. This study showed that the MLP and RBF model explained in this study are suitable to predicting CO2 solubility in methanol solution.

通过开发预测二氧化碳在各种溶剂中的溶解度的模型,二氧化碳捕获技术正在得到更快的发展。本研究建立了人工神经网络(ANN)模型来预测CO2在CH3OH + H2O体系中的溶解度。相关性可以分别预测温度为258-390.0 K、压力为0-10 MPa时CO2在液体(不同摩尔分数)中的溶解度。在本研究中,报告了温度为258-395.0 K时甲醇溶液中溶解CO2所需压力的预测数据。该方法采用了多层感知器(MLP)和径向基函数(RBF)。MLP-ANN(人工神经网络)对二氧化碳在水和甲醇混合物中的溶解度的预测比RBF-ANN更准确。所提出的模型和CO2分压的实验数据报告是一致的。结果表明,人工神经网络技术具有较高的预测精度和较好的预测效果。结果表明,相关系数R2 = 0.99具有较高的准确度,均方误差(MSE)小于0.1。Levenberg-Marquardt (trainlm)的最小均方差为0.00072863,回归系数(R2)最强。MLP和RBF网络在30 epoch和50 epoch时的最佳MSE验证性能分别为0.0066566和0.2166952。本研究表明,本文解释的MLP和RBF模型适用于预测CO2在甲醇溶液中的溶解度。
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引用次数: 4
Evaluation of CaO derived from Cerastoderma glaucum of Caspian beach as a natural sorbent for CO2 capture 里海海滩青光壳中提取的CaO作为二氧化碳捕获的天然吸附剂的评价
Q2 Materials Science Pub Date : 2023-01-01 DOI: 10.1016/j.crgsc.2023.100360
Zohreh Khoshraftar, Ahad Ghaemi

In this work, Cerastoderma Glaucum (CG) as a bio-sorbent, a low-cost, and nontoxic material, was investigated for CO2 capture. The analysis of CaO from CG was carried out using X-ray diffraction (XRD), thermal gravimetric analysis (TGA), Fourier transform infrared (FTIR), a scanning electron microscope (SEM) with energy dispersive X-ray spectroscopy (EDX) and N2 adsorption-desorption isotherm. The total pore volume was 0.0055 ​cm3/g, and the specific surface area (SBET) was 1.9312 ​m2/g (BET: Brunauer–Emmett–Teller). The maximum CO2 adsorption capacity reached 0.48 ​mmol/g at 25 ​°C and 4.5 ​bar. The CO2 adsorption capacity was examined as a function of pressure. In the experiments, it was discovered that adsorption capacity increased with increasing pressure. As a second step, the isotherm models were used to determine how the adsorbent behaves. Hill, Freundlich, Koble–Corrigan, and Sips isotherm models are well correlated with the adsorption data experiments.

在本研究中,我们研究了青皮(Cerastoderma Glaucum, CG)作为一种低成本、无毒的生物吸附剂对CO2的捕获。采用x射线衍射(XRD)、热重分析(TGA)、傅里叶变换红外(FTIR)、扫描电子显微镜(SEM)、x射线能谱(EDX)和N2吸附-脱附等温线对CG中CaO进行了分析。总孔隙体积为0.0055 cm3/g,比表面积(SBET)为1.9312 m2/g (BET: brunauer - emmet - teller)。在25℃、4.5 bar条件下,CO2吸附量最大可达0.48 mmol/g。考察了CO2吸附能力与压力的关系。实验发现,吸附量随压力的增大而增大。作为第二步,等温线模型被用来确定吸附剂的行为。Hill, Freundlich, Koble-Corrigan和Sips等温线模型与吸附数据实验有很好的相关性。
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引用次数: 1
Rapid biosynthesis and antibacterial activity of zinc oxide nanoparticles using fruit peel of Punica granatum L as cellulose 以石榴果皮为纤维素的氧化锌纳米颗粒的快速生物合成及抗菌活性研究
Q2 Materials Science Pub Date : 2023-01-01 DOI: 10.1016/j.crgsc.2023.100366
Narges Chamkouri, Nabi Jomehzadeh, Niloofar Naserzadeh

A biosynthesis of zinc oxide nanoparticles (ZnONPs) is investigated by using Punica granatum (PG) fruit peels as cellulose nanocrystals (CNC). As a first step, the phytochemical properties of (PG) were evaluated as reducing agents and as control agents for nanocomposites. The second step involved biosynthesizing PG–CNC–ZnONPs using a simple and rapid method, which was then confirmed by spectroscopy and microscopy. In addition, the antibacterial activity of PG–CNC–ZnONPs was tested against S. aureus, E.coli, S. typhi, and S.flexneri in vitro. E. coli and S. flexneri had zones of inhibition (mean values) of 14.19 mm and 14.16 mm, respectively, for PG–CNC–ZnONPs. For PG–CNC–ZnONPs, the minimum inhibitory concentration (MICs) that completely inhibited the growth of S. aureus was 250 μg/mL, while for E. coli, S. flexneri, and S. typhi the minimum inhibitory concentration (MICs) was achieved at 125 μg/mL, 31.2 μg/mL, and 15.6 μg/mL respectively. Moreover, the results of minimum bactericidal concentration (MBC) also showed that S. typhi had the lowest MBC (31.2 μg/mL) of all tested strains. The current work has the advantages of simplicity, a low particle size, a high concentration of Zn, and maximum inhibition zones.

以石榴果皮为纤维素纳米晶(CNC)制备氧化锌纳米颗粒(ZnONPs)。首先,对(PG)作为还原剂和控制剂的植物化学性质进行了评价。第二步是用一种简单快速的方法合成PG-CNC-ZnONPs,然后通过光谱学和显微镜证实。此外,我们还在体外测试了PG-CNC-ZnONPs对金黄色葡萄球菌、大肠杆菌、伤寒沙门氏菌和弗氏沙门氏菌的抑菌活性。大肠杆菌和弗氏杆菌对PG-CNC-ZnONPs的抑制区(平均值)分别为14.19 mm和14.16 mm。pg - nc - znonps对金黄色葡萄球菌的最低抑制浓度为250 μg/mL,对大肠杆菌、福氏沙门氏菌和伤寒葡萄球菌的最低抑制浓度分别为125 μg/mL、31.2 μg/mL和15.6 μg/mL。最低杀菌浓度(MBC)测定结果也表明,伤寒沙门氏菌的最低杀菌浓度为31.2 μg/mL。目前的工作具有简单、粒径小、锌浓度高、最大缓蚀区等优点。
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引用次数: 0
Enhancing electrocarboxylation reactions efficiency by cathode material selection 阴极材料选择提高电羧基化反应效率
Q2 Materials Science Pub Date : 2023-01-01 DOI: 10.1016/j.crgsc.2023.100380
Didjay F. Bruggeman, Charlotte Graefin von Quadt, Cássia S. Santana, Amanda C. Garcia

Electrocarboxylation reactions hold significant promise as a sustainable and efficient method for carbon-carbon bond formation driven by electricity enabling the direct conversion of carbon dioxide (CO2) into valuable organic compounds. Despite the potential and advantages of electrocarboxylation reactions over traditional methods, there are still challenges to address for their widespread implementation. In this contribution, our objective is to shed light on the role of these reactions in recycling and converting CO2 into valuable chemicals. Specifically, we focus on exploring potential correlations between the performance of CO2-based carboxylation and the choice of working electrode material in combination with the functional groups present in the substrates.

电羧基化反应是一种可持续和有效的碳-碳键形成方法,可以将二氧化碳(CO2)直接转化为有价值的有机化合物。尽管与传统方法相比,电羧基化反应具有潜力和优势,但其广泛应用仍面临挑战。在这篇文章中,我们的目标是阐明这些反应在回收和将二氧化碳转化为有价值的化学品中的作用。具体来说,我们专注于探索二氧化碳基羧基化性能与工作电极材料的选择以及底物中存在的官能团之间的潜在相关性。
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引用次数: 0
Bio-based food packaging materials: A sustainable and Holistic approach for cleaner environment- a review 生物基食品包装材料:清洁环境的可持续和整体方法综述
Q2 Materials Science Pub Date : 2023-01-01 DOI: 10.1016/j.crgsc.2023.100384
Prateek Gururani , Pooja Bhatnagar , Priyanka Dogra , Harish Chandra Joshi , P.K. Chauhan , Mikhail S. Vlaskin , Naveen Chandra Joshi , Anna Kurbatova , Adarchenko Irina , Vinod Kumar

The contribution of plastic packaging in food is substantial, but issues associated with its biodegradability and recycling initiates major concerns for environment and human health thus necessitating substitution of conventional synthetic plastics with bio-based packaging materials. Studies have demonstrated economic competition of bio-based materials with synthetic plastics because of their biodegradability, wide availability, excellent barrier and mechanical properties. These materials can be commercialized on a large scale but still somehow are under-investigated in many areas. Moreover, some of the influencing factors including confusion between bio-based and biodegradability pose a significant challenge on evolution of bio-based packaging. Therefore, the review focuses on bio-based packaging materials derived from various renewable resources like biomass, microorganisms and microalgae involving their possible food packaging applications along with required development in multiple regions for proper utilization of offered advantages in the food packaging market.

塑料包装在食品中的贡献是巨大的,但与其生物可降解性和再循环有关的问题引发了对环境和人类健康的重大关切,因此需要用生物基包装材料取代传统的合成塑料。研究表明,由于生物基材料具有生物降解性、广泛可用性、优异的阻隔性和机械性能,生物基材料与合成塑料在经济上具有竞争力。这些材料可以大规模商业化,但在许多领域仍未得到充分的研究。此外,生物基包装与生物可降解性的混淆等影响因素对生物基包装的发展提出了重大挑战。因此,本文将重点介绍从生物质、微生物和微藻等各种可再生资源中提取的生物基包装材料,包括其在食品包装领域的应用前景,以及在食品包装市场中合理利用其优势所需要的多地区发展。
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引用次数: 0
Eco-friendly synthesis of MnO2 nanoparticles using Saraca asoca leaf extract and evaluation of in vitro anticancer activity 水荆叶提取物环保合成二氧化锰纳米颗粒及体外抗癌活性评价
Q2 Materials Science Pub Date : 2023-01-01 DOI: 10.1016/j.crgsc.2023.100367
Sanjay S. Majani , Sreelakshmi Sathyan , Megha Vadakkethil Manoj , Nimisha Vinod , Sushma Pradeep , Chandan Shivamallu , Venkatachalaiah K.N , Shiva Prasad Kollur

Manganese oxide nanoparticles (MnO2 NPs) were synthesized through a simple one-pot green synthesis method using Saraca asoca leaves extract (SA-MnO2 NPs), and their physicochemical properties were characterized using various analytical techniques, including electron microscopy (FESEM and TEM), X-ray diffraction (XRD), and electron diffracted X-ray spectroscopy (EDAX). The as-synthesized MnO2 NPs had a highly crystalline structure with a calculated crystalline size of approximately 18 nm and a d-spacing value of 0.216 nm. The morphology of the SA-MnO2 NPs was like stacked cubes with high elemental purity, as confirmed by the EDAX spectrum. Further, confirming the as-obtained crystalline size and d-spacing value from the XRD analysis, the samples were subjected to anti-cancer activities to evaluate their reactance against cancer cell lines. The in vitro anti-cancer activity of the synthesized material was assessed against two breast cancer cell lines, namely MCF7 and MDA-MB-231. The results showed that SA-MnO2 NPs exhibited significantly lower levels of cytotoxicity against these cell lines, indicating their potential as an effective anticancer agent. Further, the IC50 value of SA-MnO2 NPs at 24 h was greater than 20 μg/mL. Therefore, the synthesized SA-MnO2 NPs could be a promising candidate for developing novel breast cancer treatment therapies.

以刺果叶提取物(SA-MnO2 NPs)为原料,采用简单的一锅绿色合成法合成了氧化锰纳米颗粒(MnO2 NPs),并利用电子显微镜(FESEM)和透射电镜(TEM)、x射线衍射(XRD)和电子衍射x射线能谱(EDAX)等多种分析技术对其进行了表征。合成的MnO2 NPs具有高度结晶的结构,计算出的晶体尺寸约为18 nm, d-间距值为0.216 nm。EDAX光谱证实,SA-MnO2 NPs的形貌为堆叠的立方体,元素纯度较高。此外,通过XRD分析确认了所得的晶体尺寸和d-间距值,并对样品进行了抗癌活性评估,以评估其对癌细胞的抗电抗。研究了合成材料对MCF7和MDA-MB-231两种乳腺癌细胞株的体外抗癌活性。结果表明,SA-MnO2 NPs对这些细胞系的细胞毒性水平显著降低,表明其可能是一种有效的抗癌药物。SA-MnO2 NPs在24 h的IC50值大于20 μg/mL。因此,合成的SA-MnO2 NPs可能是开发新型乳腺癌治疗方法的有希望的候选者。
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引用次数: 4
Evaluation of antimicrobial, antioxidant and cytotoxicity potential of R-phycoerythrin extracted from Gracilaria corticata seaweed 紫菜中r -藻红蛋白的抗菌、抗氧化和细胞毒性评价
Q2 Materials Science Pub Date : 2023-01-01 DOI: 10.1016/j.crgsc.2022.100352
M.P. Sudhakar , G. Dharani , Arumugam Paramasivam

In the present study, phycoerythrin pigment protein was extracted and purified from Gracilaria corticata (marine macroalga). The concentration of phycoerythrin (PE) obtained from G. corticata was 0.15 ​mg/ml (fresh weight). In this study, phycoerythrin expressed less antimicrobial activity against pathogens but found effective in total antioxidant activity (264.90 ​± ​10.20 ​μg/ml), DPPH scavenging effect (22.91 ​± ​1.90%) and ferrous ion chelating ability (26.06 ​± ​1.60%). Further, the cytotoxicity assay of PE using colon cancer cells such as SW620 and HCT-116 was tested. Different concentrations (2, 4, 8, 16, 32 ​μl) of phycoerythrin was tested in MTT assay after 24 ​h and 48 ​h incubation. The MTT assay concludes that increasing concentration of phycoerythrin (4.8 ​μg) decreases the cell viability to 42% after 48 ​h in SW 620 ​cell line. Whereas in the HCT 116 ​cell line the increasing concentration of phycoerythrin induces the cell growth on 24 ​h but later drastically reduced growth of cell line (39%) was observed after 48 ​h time in 4.8 ​μg of PE. From this preliminary study, the phycoerythrin pigment extracted from Gracilaria corticata proved to be a potential molecule of interest for cancer studies and diagnosis.

本研究从海苔藻中提取并纯化了藻红蛋白色素蛋白。提取的藻红蛋白(PE)浓度为0.15 mg/ml(鲜重)。在本研究中,藻红蛋白对病原菌的抑菌活性较低,但总抗氧化活性(264.90±10.20 μg/ml)、DPPH清除作用(22.91±1.90%)和铁离子螯合能力(26.06±1.60%)较好。此外,采用结肠癌细胞SW620和HCT-116对PE进行了细胞毒性试验。不同浓度(2、4、8、16、32 μl)的植红蛋白孵育24 h和48 h后采用MTT法测定。MTT实验结果表明,随着藻红蛋白浓度(4.8 μg)的增加,SW 620细胞株48 h后细胞存活率降低至42%。而在HCT 116细胞株中,在4.8 μg PE中,藻红蛋白浓度的增加可在24 h诱导细胞生长,但在48 h后,细胞的生长明显降低(39%)。从本初步研究中,证明了从荆芥中提取的藻红蛋白色素是一种潜在的癌症研究和诊断分子。
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引用次数: 2
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