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Analytical Model Study of Dendrimer/DNA Complexes

机译:树状聚合物/ DNA复合物的分析模型研究

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The interaction between positively charged poly(amido amine) (PAMAM) dendrimers of generation 4 and DNA has been investigated for two DNA lengths; 2000 basepairs (bp; L = 680 nm) and 4331 bp (L = 1472.5 nm) using a theoretical model by Schiessel for a semiflexible polyelectrolyte and hard spheres. The model was modified to take into account that the dendrimers are to be regarded as soft spheres, that is, the radius is not constant when the DNA interact with the dendrimer. For the shorter and longer DNA, the estimated optimal wrapping length, l_(opt) is approx=sl5.69 and approx=12.25 nm, respectively, for dendrimers that retain their original size (R_0 = 2.25 nm) upon DNA interaction. However, the values of l_(opt) for the dendrimers that were considered to have a radius of (R = 0.4R_0) 0.9 nm were 9.3 and 9.4 nm for the short and long DNA, respectively, and the effect due to the DNA length is no longer observed. For l_(opt) = 10.88 nm, which is the length needed to neutralize the 64 positive charges of the G4 dendrimer, the maximum number of dendrimers per DNA (N_(max)) was approx=76 for the shorter DNA, which is larger than the corresponding experimental value of 35 for 2000 bp DNA. For the longer DNA, N_(max)approx= 160, which is close to the experimental value of 140 for the 4331 bp DNA. Charge inversion of the dendrimer is only observed when they retain their size or only slightly contract upon DNA interaction.
机译:已经研究了两个DNA长度的第四代带正电荷的聚(酰胺基胺)(PAMAM)树状大分子与DNA的相互作用。使用Schiessel的理论模型对半柔性聚电解质和硬球使用2000个碱基对(bp; L = 680 nm)和4331 bp(L = 1472.5 nm)。修改模型以考虑到将树状聚合物视为软球,即当DNA与树状聚合物相互作用时半径不是恒定的。对于较短和较长的DNA,对于在DNA相互作用后保持其原始大小(R_0 = 2.25nm)的树枝状聚合物,估计的最佳包裹长度l_(opt)分别为约= s15.69和约= 1.22nm。但是,对于短和长DNA,被认为具有(R = 0.4R_0)0.9 nm半径的树状聚合物的l_(opt)值分别为9.3 nm和9.4 nm,并且由于DNA长度而产生的影响不再被观察到。对于l_(opt)= 10.88 nm,这是中和G4树状聚合物的64个正电荷所需的长度,对于较短的DNA,每个DNA的树状聚合物的最大数目(N_(max))约为= 76,这是较大的比2000 bp DNA的相应实验值35更大。对于更长的DNA,N_(max)大约= 160,接近4331 bp DNA的实验值140。仅当树枝状大分子保持其大小或仅在DNA相互作用后略微收缩时才观察到其电荷反转。

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