纳米粒子表面接枝配体链的数目分布
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- 英文论文题名：Ligand number distribution in polymer-grafted nanoparticle systems
- 论文作者：刘鸿 ; 赵环宇 ; 吕中元 ; Florian Müller-Plathe
- 英文论文作者：Hong Liu ; Huan-Yu Zhao ; Zhong-Yuan Lu ; Florian Müller-Plathe ; Institute of Theoretical Chemistry ; Jilin University ; Eduard-Zintl-Institut fü r Anorganische und Physikalische Chemie ; Technische Universit?t Darmstadt
- 年：2016
- 作者机构：吉林大学理论化学研究所;德国达姆施塔特工业大学无机与物理化学研究所;
- 论文关键词：配体链 ; 纳米粒子 ; 数目分布 ; 接枝
- 会议召开时间：2016-08-25
- 会议录名称：中国化学会2016年软物质理论计算与模拟会议论文摘要集
- 语种：中文
- 分类号：TB383.1
- 学会代码：ZGHY
- 会议名称：中国化学会2016年软物质理论计算与模拟会议
- 会议地点：中国天津
- 主办单位：中国化学会
- 学会名称：中国化学会
- 页数：2
- 文件大小：134k
- 原文格式：D
- 会议级别：全国
摘要
聚合物接枝在纳米粒子表面的配体链数目分布对调控无机/有机纳米复合材料的性能至关重要。基于Bockstaller等人的分布模型1,我们提出了一个依赖于配体链转化率的普适的分布函数,来描述纳米粒子表面配体链的数目分布。我们的研究表明,通过"接枝到(graft-to)"和"由表面接枝(graft-from)"两种技术得到的表面配体链数量可由这同一个分布函数来描述。进一步的研究揭示了在空间位阻主导的竞争性反应中,或者配体链为不足量反应物等极端条件下,其数量分布仍然符合上述的分布函数形式。由于配体链浓度在实验上更容易测量,因此这个分布函数可以更加方便地应用到复杂的实验体系中去。通过进一步的类纳米粒子实验体系,即聚乙二醇链接枝到胰蛋白酶分子表面的反应,以及耦合反应模型的分子动力学模拟研究2,本分布函数得到了完美的验证,如图1所示。本研究为更好地实现对功能性聚合物接枝纳米复合材料的调控和设计提供了便捷的研究方案。
Ligand number distributions(LNDs) on nanoparticles in polymer grafted nanoparticle(NP) systems are commonly recognized to be crucial to understand and design inorganic/organic composites with advanced functions.Based on a distribution function recently proposed by Bockstaller and co-workers,we show a generalized distribution function that relies on the conversion of ligands.We demonstrate that LND for polymer grafted NPs fabricated from both grafting-to and grafting-from techniques can be described by the same distribution function,and further clarify that steric competition between neighboring chains on NP surface and insufficiency of ligands in solution do not change the LND.Because the ligand concentration is much easier to be measured in experiments,it makes our distribution is readily applicable in more complex experimental conditions.This generalized distribution function is further validated by the experiment of polyethyleneglycol conjugation on trypsin molecule,and the corresponding computer simulation applying the molecular dynamics coupled with reaction model.This study helps to pave the way on better control and design of materials correlated to nanoparticle-based platforms conjugated with functional ligands.
Ligand number distributions(LNDs) on nanoparticles in polymer grafted nanoparticle(NP) systems are commonly recognized to be crucial to understand and design inorganic/organic composites with advanced functions.Based on a distribution function recently proposed by Bockstaller and co-workers,we show a generalized distribution function that relies on the conversion of ligands.We demonstrate that LND for polymer grafted NPs fabricated from both grafting-to and grafting-from techniques can be described by the same distribution function,and further clarify that steric competition between neighboring chains on NP surface and insufficiency of ligands in solution do not change the LND.Because the ligand concentration is much easier to be measured in experiments,it makes our distribution is readily applicable in more complex experimental conditions.This generalized distribution function is further validated by the experiment of polyethyleneglycol conjugation on trypsin molecule,and the corresponding computer simulation applying the molecular dynamics coupled with reaction model.This study helps to pave the way on better control and design of materials correlated to nanoparticle-based platforms conjugated with functional ligands.
引文
[1]Hakem,I.F.;Leech,A.M.;Johnson,J.D.;Donahue,S.J.;Walker,J.P.;Bockstaller,M.R.J.Am.Chem.Soc.2010,132,16593
[2]Liu,H.;Li,M.;Lu,Z.-Y.;Zhang,Z.-G.;Sun,C.-C.Macromolecules 2009,42,2863
[2]Liu,H.;Li,M.;Lu,Z.-Y.;Zhang,Z.-G.;Sun,C.-C.Macromolecules 2009,42,2863