Electrostatic interaction

静电相互作用
  • 文章类型: Journal Article
    在当今的“糖尿病大流行”时代,然而,基于肽的疗法已经产生了巨大的兴趣,由于不可避免的限制,如稳定,面临着困难,分娩并发症和脱靶效应。一种有前途的分子是C肽(CPep,31个氨基酸的多肽,t1/230分钟);它是胰岛素原的裂解亚基,众所周知,可以抑制肾脏的微血管并发症,但迄今为止尚未能够进行临床翻译。在这里,通过利用内部合成的阳离子之间的静电相互作用,制备了聚合物CPep纳米复合物(NPX),聚乙烯碳酸酯(PEC)基共聚物(Mol。wt.44,767Da)和带负电荷的CPep(Mol。wt.3299Da),pH7.4,并在体外和体内进一步评估。NPX呈现球形形态,粒径为167nm,ζ电位等于+10.3,CPep络合效率为85.70%。在正常大鼠肾细胞中FITC标记的CPepNPX的细胞摄取为95.61%,NRK-52E。此外,血液相容性NPX表现出明显的细胞增殖,在代谢应激诱导的NRK-52E细胞中还具有抗氧化活性(GSH增加1.8倍;亚硝酸盐浓度降低2.8倍)和抗炎活性。通过将抗凋亡蛋白BCl2上调3.5倍,进一步证实了观察结果。和增殖标志物(β1-整合素和EGFR)增加3.5和2.3倍,分别,与高糖治疗对照组相比。Wistar大鼠中NPX的药代动力学研究显示,其半衰期比游离CPep长6.34倍。STZ诱导的糖尿病肾病动物模型的体内疗效研究,NPX显著降低血糖水平和IL-6水平1.3和2.5倍,分别,与疾病对照组相比。上述发现表明,NPX具有巨大的潜力赋予CPep的持续释放,提高了治疗糖尿病肾病的疗效,并明显改善了肾脏病理。
    In the present era of \"Diabetic Pandemic\", peptide-based therapies have generated immense interest however, are facing odds due to inevitable limitations like stability, delivery complications and off-target effects. One such promising molecule is C-peptide (CPep, 31 amino acid polypeptide with t1/2 30 min); it is a cleaved subunit of pro-insulin, well known to suppress microvascular complications in kidney but has not been able to undergo translation to the clinic till date. Herein, a polymeric CPep nano-complexes (NPX) was prepared by leveraging electrostatic interaction between in-house synthesized cationic, polyethylene carbonate (PEC) based copolymer (Mol. wt. 44,767 Da) and negatively charged CPep (Mol. wt. 3299 Da) at pH 7.4 and further evaluated in vitro and in vivo. NPX exhibited a spherical morphology with a particle size of 167 nm and zeta potential equivalent to +10.3, with 85.70 % of CPep complexation efficiency. The cellular uptake of FITC-tagged CPep NPX was 95.61 % in normal rat kidney cells, NRK-52E. Additionally, the hemocompatible NPX showed prominent cell-proliferative, anti-oxidative (1.8 folds increased GSH; 2.8 folds reduced nitrite concentration) and anti-inflammatory activity in metabolic stress induced NRK-52E cells as well. The observation was further confirmed by upregulation of anti-apoptotic protein BCl2 by 3.5 folds, and proliferative markers (β1-integrin and EGFR) by 3.5 and 2.3 folds, respectively, compared to the high glucose treated control group. Pharmacokinetic study of NPX in Wistar rats revealed a 6.34 folds greater half-life than free CPep. In in-vivo efficacy study in STZ-induced diabetic nephropathy animal model, NPX reduced blood glucose levels and IL-6 levels significantly by 1.3 and 2.5 folds, respectively, as compared to the disease control group. The above findings suggested that NPX has tremendous potential to impart sustained release of CPep, resulting in enhanced efficacy to treat diabetes-induced nephropathy and significantly improved renal pathology.
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  • 文章类型: Journal Article
    基于脂质的纳米载体已广泛用于皮肤护理制剂中水不溶性活性成分的溶解和皮肤递送。然而,它们的实际应用往往受到结构不稳定性的限制,导致活性物质的过早释放和降解。在这里,我们提出了高度坚固的多层纳米囊泡,通过水解胶原蛋白肽的单层囊泡的多离子自组装制备,以稳定全反式视黄醇并增强其皮肤递送。我们的结果表明,增强的多层结构在极端恶劣的条件下大大提高了分散稳定性,像冻融循环,并稳定包封的视黄醇。有趣的是,这些多层囊泡对人真皮成纤维细胞的细胞毒性明显低于单层囊泡,可能是由于它们的单位重量颗粒数较小,最大限度地减少对细胞膜的潜在破坏。在人造皮肤模型中,负载视黄醇的多层囊泡有效上调胶原相关基因表达,同时抑制金属蛋白酶的合成。这些发现表明,强大的多层囊泡可以作为有效的纳米载体,用于在皮肤应用中有效递送和稳定生物活性化合物。
    Lipid-based nanocarriers have been extensively utilized for the solubilization and cutaneous delivery of water-insoluble active ingredients in skincare formulations. However, their practical application is often limited by structural instability, leading to premature release and degradation of actives. Here we present highly robust multilamellar nanovesicles, prepared by the polyionic self-assembly of unilamellar vesicles with hydrolyzed collagen peptides, to stabilize all-trans-retinol and enhance its cutaneous delivery. Our results reveal that the reinforced multilayer structure substantially enhances dispersion stability under extremely harsh conditions, like freeze-thaw cycles, and stabilizes the encapsulated retinol. Interestingly, these multilamellar vesicles exhibit significantly lower cytotoxicity to human dermal fibroblasts than their unilamellar counterparts, likely due to their smaller particle number per weight, minimizing potential disruptions to cellular membranes. In artificial skin models, retinol-loaded multilamellar vesicles effectively upregulate collagen-related gene expression while suppressing the synthesis of metalloproteinases. These findings suggest that the robust multilamellar vesicles can serve as effective nanocarriers for the efficient delivery and stabilization of bioactive compounds in cutaneous applications.
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  • 文章类型: Journal Article
    在巨自噬中,溶酶体与封闭的自噬体融合,但不与未封闭的自噬体融合。这是实现的,至少在某种程度上,通过时间调节的自噬体SNARESTX17(突触蛋白17)募集到成熟的自噬体。然而,STX17识别自噬体成熟的分子机制尚不清楚.我们最近的研究表明,STX17的募集受STX17的带正电的C末端区域和自噬小体膜之间的静电相互作用的调节。由于磷脂酰肌醇-4-磷酸(PtdIns4P)的积累,在成熟过程中带负电荷。这里,我们提出了自噬体的静电成熟模型。
    In macroautophagy, lysosomes fuse with closed autophagosomes but not with unclosed ones. This is achieved, at least in part, by the temporally regulated recruitment of the autophagosomal SNARE STX17 (syntaxin 17) to only mature autophagosomes. However, the molecular mechanism by which STX17 recognizes autophagosomal maturation remains unknown. Our recent study revealed that STX17 recruitment is regulated by the electrostatic interaction between the positively charged C-terminal region of STX17 and the autophagosomal membrane, which becomes negatively charged during maturation due to the accumulation of phosphatidylinositol-4-phosphate (PtdIns4P). Here, we propose an electrostatic maturation model of the autophagosome.
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  • 文章类型: Journal Article
    澄清条件和澄清剂的选择对于消除红葡萄汁(RGJ)中的混浊成分同时最大程度地减少功能性颜色成分的损失至关重要。在这种情况下,我们合成了一种基于水玻璃的APTES官能化的镁二氧化硅气凝胶(MSA-NH3),其中包含61.44分子/nm2的胺基,导致带正电荷的zeta电位值为33.9mV(pH3.4),用于通过靶向带负电荷的多酚来澄清RGJ。使用MSA-NH3的最佳澄清条件确定为0.18gMSA-NH3/LRGJ,20°C,并通过Box-Behnken设计的应用60分钟。在这些条件下,MSA-NH3表现出优异的雾度组分吸附(3.61NTU),优于商业膨润土-明胶组合(BGC)(5.45NTU)。此外,在吸附褐变成分的同时,它在保存花色苷方面表现出更大的功效。由于MSA-NH3具有良好的澄清性能,因此在饮料工业中具有很高的功能替代澄清剂的潜力。
    The clarification conditions and the selection of the clarification agent are pivotal in eliminating the haze components from red grape juice (RGJ) while minimizing the loss of functional color components. In this context, we synthesized a water glass-based APTES functionalized magnesium silica aerogel (MSA-NH3) incorporating 61.44 molecules/nm2 of amine groups, resulting in a positively charged zeta potential value of 33.9 mV (pH 3.4) for clarification of RGJ by targeting negatively charged polyphenols. The optimum clarification conditions using MSA-NH3 were determined as 0.18 g MSA-NH3/L RGJ, 20 °C, and 60 min through the application of Box-Behnken design. Under these conditions, MSA-NH3 exhibited excellent adsorption of haze components (3.61 NTU), outperforming the commercial bentonite-gelatine combination (BGC) (5.45 NTU). Furthermore, it exhibited greater efficacy in preserving anthocyanins while adsorbing browning components. MSA-NH3 has a high potential to serve as a functional alternative clarification agent in the beverage industry due to its promising clarification performance.
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  • 文章类型: Journal Article
    甘蔗渣粉煤灰,焚烧生物质以发电和蒸汽产生的残余产物,富含SiO2。硅酸钠是用于合成高度多孔的二氧化硅基吸附剂以用于循环实践的基本材料。黄曲霉毒素B1(AFB1),动物饲料中的一种重要污染物,需要整合吸附剂,对于降低动物消化过程中的黄曲霉毒素浓度至关重要。本研究以甘蔗渣粉煤灰为原料,以硅酸钠为原料合成硅铝酸盐和硅酸锌,各自的特征在于铝(Al)与硅(Si)和锌(Zn)与硅(Si)的不同摩尔比,分别。这项研究的主要重点是评估它们各自吸附AFB1的能力。结果表明,与硅酸锌和二氧化硅相比,硅铝酸盐表现出明显优异的AFB1吸附能力。此外,硅铝酸盐和硅酸锌的Al:Si摩尔比越高,吸附效率就越高。N2证实AFB1吸附在吸附剂的孔内。特别是,摩尔比为0.08(Al:Si)的铝硅酸盐变体展示了最实质性的AFB1吸附能力,在体外肠道期后登记为88.25%。吸附能力与表面酸性位点和带负电荷的表面的存在直接相关。值得注意的是,通过伪二阶模型的应用,最好地阐明了吸附过程的动力学,有效地描述了硅铝酸盐和硅酸锌在吸附AFB1中的行为。
    Sugarcane bagasse fly ash, a residual product resulting from the incineration of biomass to generate power and steam, is rich in SiO2. Sodium silicate is a fundamental material for synthesizing highly porous silica-based adsorbents to serve circular practices. Aflatoxin B1 (AFB1), a significant contaminant in animal feeds, necessitates the integration of adsorbents, crucial for reducing aflatoxin concentrations during the digestive process of animals. This research aimed to synthesize aluminosilicate and zinc silicate derived from sodium silicate based on sugarcane bagasse fly ash, each characterized by a varied molar ratio of aluminum (Al) to silicon (Si) and zinc (Zn) to silicon (Si), respectively. The primary focus of this study was to evaluate their respective capacities for adsorbing AFB1. It was revealed that aluminosilicate exhibited notably superior AFB1 adsorption capabilities compared to zinc silicate and silica. Furthermore, the adsorption efficacy increased with higher molar ratios of Al:Si for aluminosilicate and Zn:Si for zinc silicate. The N2 confirmed AFB1 adsorption within the pores of the adsorbent. In particular, the aluminosilicate variant with a molar ratio of 0.08 (Al:Si) showcased the most substantial AFB1 adsorption capacity, registering at 88.25% after an in vitro intestinal phase. The adsorption ability is directly correlated with the presence of surface acidic sites and negatively charged surfaces. Notably, the kinetics of the adsorption process were best elucidated through the application of the pseudo-second-order model, effectively describing the behavior of both aluminosilicate and zinc silicate in adsorbing AFB1.
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  • 文章类型: Journal Article
    了解在液-液相分离(LLPS)中控制蛋白质和肽行为的复杂相互作用对于揭示生物学功能和功能障碍至关重要。本研究采用残基水平的粗粒分子动力学方法来模拟溶液中不同长度和序列的重复聚脯氨酸和聚精氨酸肽(polyPR)的相分离,考虑不同的浓度和温度。我们的发现强调了序列顺序在具有相同长度的重复序列的肽中促进LLPS的关键作用。有趣的是,含有少于10个多精氨酸重复序列的重复肽不表现出LLPS,即使在高达3M的盐浓度下,值得注意的是,我们的模拟与实验观察一致,确定PR25诱导的LLPS的盐浓度为2.7M。使用相同的方法,我们预测LLPS诱导所需的盐浓度为1.2M,1.5米,PR12、PR15和PR35分别为2.7M。这些预测与实验结果具有良好的一致性。将我们的研究扩展到包括DNA溶液中的肽谷氨酰胺和精氨酸(GR15),我们的模拟反映了相分离的实验观察。揭示分子力量指导肽相分离,我们在聚PR体系中引入介电常数调节剂和疏水性破坏剂。我们的粗粒度分析包括对温度影响的检查,导致推断疏水和静电相互作用驱动肽系统中的相分离。
    Understanding the intricate interactions governing protein and peptide behavior in liquid-liquid phase separation (LLPS) is crucial for unraveling biological functions and dysfunctions. This study employs a residue-leveled coarse-grained molecular dynamics approach to simulate the phase separation of repetitive polyproline and polyarginine peptides (poly PR) with varying lengths and sequences in solution, considering different concentrations and temperatures. Our findings highlight the crucial role of sequence order in promoting LLPS in peptides with identical lengths of repetitive sequences. Interestingly, repetitive peptides containing fewer than 10 polyarginine repeats exhibit no LLPS, even at salt concentrations up to 3 M. Notably, our simulations align with experimental observations, pinpointing a salt concentration of 2.7 M for PR25-induced LLPS. Utilizing the same methodology, we predict the required salt concentrations for LLPS induction as 1.2 M, 1.5 M, and 2.7 M for PR12, PR15, and PR35, respectively. These predictions demonstrate good agreement with experimental results. Extending our investigation to include the peptide glutamine and arginine (GR15) in DNA solution, our simulations mirror experimental observations of phase separation. To unveil the molecular forces steering peptide phase separation, we introduce a dielectric constant modifier and hydrophobicity disruptor into poly PR systems. Our coarse-grained analysis includes an examination of temperature effects, leading to the inference that both hydrophobic and electrostatic interactions drive phase separation in peptide systems.
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  • 文章类型: Journal Article
    这项研究检查了藻类多糖(AP)的不同作用,即海藻酸钠(SA),fucoidan(FU),和laminarin(LA),关于纳米塑料(NP)在海水中的聚集,以及它们随后在海水饱和的海砂中的运输。原始的50nmNP倾向于形成大的聚集体,平均尺寸约为934.5±11nm。从废水中回收的NP(Meff)很低,只有18.2%,并且在穿透曲线(BTC)中观察到成熟效应。加入SA后,含有羧基,NP的ζ(ζ)电位增加2.8mV。与NP胶体的静电相互作用的适度增强导致NP的聚集尺寸减小至598.0±27nm,并有效地减轻了BTC中观察到的成熟效应。此外,SA对砂面的粘附和由此产生的静电斥力的增加,导致Meff上升至27.5%。相比之下,FU的介绍,含有硫酸酯基团,导致NP的ζ电位激增至-27.7±0.76mV。NP之间以及NP与沙子之间的静电斥力增强,使Meff大大增加至45.6%。与SA和FU的影响不同,洛杉矶的加入,一种中性化合物,导致NP的ζ电位几乎消失(-3.25±0.68mV)。这种变化增强了空间位阻效应,导致颗粒的完全稳定和NP的BTC中的阻断作用。量子化学模拟支持SA诱导的NP胶体的静电势的显着变化,FU和LA。总之,AP的存在可以诱导NP在海水饱和多孔介质中的迁移率变化,根据弱者的性质,坚强,或者胶体之间的非静电相互作用,其受到多糖本身的结构和官能化的影响。这些发现为海洋环境中NP运输的复杂多变的行为提供了有价值的见解。
    This study examined the distinct effects of algae polysaccharides (AP), namely sodium alginate (SA), fucoidan (FU), and laminarin (LA), on the aggregation of nanoplastics (NP) in seawater, as well as their subsequent transport in seawater-saturated sea sand. The pristine 50 nm NP tended to form large aggregates, with an average size of approximately 934.5 ± 11 nm. Recovery of NP from the effluent (Meff) was low, at only 18.2 %, and a ripening effect was observed in the breakthrough curve (BTC). Upon the addition of SA, which contains carboxyl groups, the zeta (ζ)-potential of the NP increased by 2.8 mV. This modest enhancement of electrostatic interaction with NP colloids led to a reduction in the aggregation size of NP to 598.0 ± 27 nm and effectively mitigated the ripening effect observed in the BTC. Furthermore, SA\'s adherence to the sand surface and the resulting increase in electrostatic repulsion, caused a rise in Meff to 27.5 %. In contrast, the introduction of FU, which contains sulfate ester groups, resulted in a surge in ζ-potential of the NP to -27.7 ± 0.76 mV. The intensified electrostatic repulsion between NP and between NP and sand greatly increased Meff to 45.6 %. Unlike the effects of SA and FU, the addition of LA, a neutral compound, caused a near disappearance of ζ-potential of NP (-3.25 ± 0.68 mV). This change enhanced the steric hindrance effect, resulting in complete stabilization of particles and a blocking effect in the BTC of NP. Quantum chemical simulations supported the significant changes in the electrostatic potential of NP colloids induced by SA, FU and LA. In summary, the presence of AP can induce variability in the mobility of NP in seawater-saturated porous media, depending on the nature of the weak, strong, or non-electrostatic interactions between colloids, which are influenced by the structure and functionalization of the polysaccharides themselves. These findings provide valuable insights into the complex and variable behavior of NP transport in the marine environment.
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  • 文章类型: Journal Article
    酶促褐变和微生物生长是水果和蔬菜暴露于异常情况时发生的两种自然现象,即,温度范围为12-22°C,导致他们的腐败。在供应链中控制温度旨在优化产品的保质期。使用含有脂肪酸的简单挤出技术制造不可逆热变色珠,卵磷脂,和花青素溶液-海藻酸盐。基于静电相互作用调整着色耐久性,如在pH=6的情况下在45分钟后产生的珠的染料浸出减少至小于0.007所证明的。表征表明,所选择的脂肪酸和醌类分子的组合可用于生产热变色珠,在12°C-22°C时颜色变化,从蓝色到紫色。在鲜切沙拉和球芽甘蓝的供应链中使用制备的热致变色珠子在21±1分钟后监测其新鲜度方面取得了很好的效果。
    Enzymatic browning and microbial growth are two natural phenomena that occur when fruits and vegetables are exposed to abnormal conditions, i.e., temperatures in the range of 12-22 °C, leading to their spoilage. Controlling the temperatures during the supply chain aims to optimize the product\'s shelf life. Irreversible thermochromic beads were fabricated using a simple extrusion technique containing fatty acid, lecithin, and anthocyanin solution-alginate. The pigmentation durability was adjusted based on electrostatic interactions, as evidenced by the reduction in dye leaching in the case of the produced bead at pH = 6 to less than 0.007 after 45 min. Characterization shows that the chosen combination of fatty acids and the quinonoid molecule is useful for producing thermochromic beads, with a color change at 12 °C-22 °C, from blue to purple. Using the prepared thermochromic beads in the supply chain of fresh-cut salad and brussels sprouts showed a great result for monitoring their freshness after 21 ± 1 min.
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  • 文章类型: Journal Article
    对全氟壬烯氧基苯磺酸钠(OBS)是全氟烷基物质(PFAS)的关键替代品之一。它的普遍趋势增加了水生环境中的广泛污染。然而,目前的OBS处理技术吸附量小,吸附时间长。在这项研究中,3比例(1:5,3:5和10:1)的壳聚糖改性氨基驱动氧化石墨烯(CS-GO)被创新以加强OBS吸附能力,与氧化石墨烯(GO)和石墨烯(GH)相比。通过SEM的表征,BET,和FTIR,发现CS在低比表面积的GO表面上成功合成。随后,对模拟废水中OBS去除的影响因素进行了研究。当吸附剂为CS-GO(10:1)时,OBS的最佳去除率可在2h内达到95.4%。剂量是2毫克,pH为3。无机离子的加入可以促进OBS的吸附效率。此外,CS-GO由于-NH3的额外官能团而表现出最大的吸附能,静电相互作用是提高OBS吸附效率的首要动机。此外,OBS在CS-GO-OBS溶液中表现出最快的扩散系数,这与吸附动力学的拟合结果是一致的。
    Sodium p-perfluorous nonenoxybenzene sulfonate (OBS) is one of the key alternatives to perfluoroalkyl substances (PFASs). Its widespread tendency has increased extensive contamination in the aquatic environment. However, the present treatment technology for OBS exhibited insignificant adsorption capacity and long adsorption time. In this study, three proportions (1:5, 3:5, and 10:1) of chitosan-modified amino-driven graphene oxide (CS-GO) were innovated to strengthen the OBS adsorption capacity, compared with graphene oxide (GO) and graphene (GH). Through the characterization of SEM, BET, and FTIR, it was discovered that CS was synthetized on GO surfaces successfully with a low specific surface area. Subsequently, batch single influence factor studies on OBS removal from simulated wastewater were investigated. The optimum removal efficiency of OBS could be achieved up to 95.4% within 2 h when the adsorbent was selected as CS-GO (10:1), the dosage was 2 mg, and the pH was 3. The addition of inorganic ions could promote the adsorption efficiency of OBS. In addition, CS-GO presented the maximum adsorption energy due to additional functional groups of -NH3, and electrostatic interaction was the foremost motive for improving the adsorption efficiency of OBS. Moreover, OBS exhibited the fastest diffusion coefficient in the CS-GO-OBS solution, which is consistent with the fitting results of adsorption kinetics.
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  • 文章类型: Journal Article
    在这里,提出了一种水相合成方法,用于制备具有聚集诱导发射(AIE)性质的铜纳米簇(CuNC),利用硫辛酸和NaBH4作为配体和还原剂,分别。合成后的CuNC的平均尺寸为3.0±0.2nm,并在紫外光激发下显示出强的固态荧光。然而,当溶解在水中时,在CuNCs的水溶液中没有检测到可观察到的荧光发射。值得注意的是,甲基咪唑的添加从CuNCs的水溶液中诱导出显著的红色荧光。这种意想不到的现象可以归因于与甲基咪唑中带正电荷的咪唑基团的静电相互作用引起的带负电荷的CuNCs的聚集,通过AIE机制导致荧光增强。因此,在0.1-1.5mM的范围内,CuNCs水溶液的荧光强度与甲基咪唑的浓度之间存在极好的线性相关性,低检测限为82.2µM。重要的是,所设计的基于CuNCs的增强荧光纳米探针在测定市售甲基咪唑片剂方面表现出令人满意的性能,展示了其非凡的敏感性,可靠性,和准确性。
    Herein, an aqueous phase synthesis approach was presented for the fabrication of copper nanoclusters (Cu NCs) with aggregation-induced emission (AIE) property, utilizing lipoic acid and NaBH4 as ligands and reducing agent, respectively. The as-synthesized Cu NCs exhibit an average size of 3.0 ± 0.2 nm and demonstrate strong solid-state fluorescence upon excitation with UV light. However, when dissolved in water, no observable fluorescent emission is detected in the aqueous solution of Cu NCs. Remarkably, the addition of Methimazole induced a significant red fluorescence from the aqueous solution of Cu NCs. This unexpected phenomenon can be ascribed to the aggregation of negatively charged Cu NCs caused by electrostatic interaction with positively charged imidazole groups in Methimazole, resulting in enhanced fluorescence through AIE mechanism. Therefore, there exists an excellent linear correlation between the fluorescent intensities of Cu NCs aqueous solution and the concentration of Methimazole within a range of 0.1-1.5 mM with a low limit of detection of 82.2 µM. Importantly, the designed enhanced-fluorescent nanoprobe based on Cu NCs exhibits satisfactory performance in assaying commercially available Methimazole tablets, demonstrating its exceptional sensitivity, reliability, and accuracy.
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