The theoretical molecular weight of NaYF (4) :RE upconversion nanoparticles.

The theoretical molecular weight of NaYF (4) :RE upconversion nanoparticles.
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Nayf的理论分子量(4):重新转换纳米颗粒。

DOI:
10.1038/s41598-018-19415-w
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发表时间:
2018-01-18
期刊:
影响因子:
4.6
通讯作者:
Millner PA
Millner PA
中科院分区:
综合性期刊3区
文献类型:
--
作者:
Mackenzie LE;Goode JA;Vakurov A;Nampi PP;Saha S;Jose G;Millner PA

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上转换纳米颗粒(UCNPs)被广泛用于生物医学成像,传感和治疗应用,但UCNPs的分子量以前没有报道。在此,我们提出了一个理论的基础上的晶体结构的UCNP的分子量估计UCNP:使洞察UCNP分子量的第一次。我们估计了文献中报道的各种UCNP的理论分子量,预测直径约10 nm的球形NaYF 4 UCNP将为约1 MDa(即106 g/mol),而直径约45 nm的UCNP将为约100 MDa(即108 g/mol)。我们还预测,六方晶相UCNPs将是更大的分子量比立方晶相UCNPs。此外,我们发现高斯UCNP直径分布将对应于对数正态UCNP分子量分布。我们的方法可能被推广到预测其他任意结晶纳米颗粒的分子量:因此,我们提供了独立的图形用户界面来计算UCNP和任意结晶纳米颗粒的分子量。我们期望UCNP分子量的知识在生物医学应用中具有广泛的实用性,其中以绝对数或摩尔浓度报告UCNP量将有利于研究间比较和重复性。
Upconversion nanoparticles (UCNPs) are utilized extensively for biomedical imaging, sensing, and therapeutic applications, yet the molecular weight of UCNPs has not previously been reported. Herein, we present a theory based upon the crystal structure of UCNPs to estimate the molecular weight of UCNPs: enabling insight into UCNP molecular weight for the first time. We estimate the theoretical molecular weight of various UCNPs reported in the literature, predicting that spherical NaYF4 UCNPs ~ 10 nm in diameter will be ~1 MDa (i.e. 106 g/mol), whereas UCNPs ~ 45 nm in diameter will be ~100 MDa (i.e. 108 g/mol). We also predict that hexagonal crystal phase UCNPs will be of greater molecular weight than cubic crystal phase UCNPs. Additionally we find that a Gaussian UCNP diameter distribution will correspond to a lognormal UCNP molecular weight distribution. Our approach could potentially be generalised to predict the molecular weight of other arbitrary crystalline nanoparticles: as such, we provide stand-alone graphic user interfaces to calculate the molecular weight both UCNPs and arbitrary crystalline nanoparticles. We expect knowledge of UCNP molecular weight to be of wide utility in biomedical applications where reporting UCNP quantity in absolute numbers or molarity will be beneficial for inter-study comparison and repeatability.
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