柔性螺旋均聚物结构转变的拥挤效应
Crowding effects on the structural transitions in a flexible helical homopolymer
摘要：
我们阐明了拥挤剂诱导的螺旋离格均聚物中的结构转变，作为拥挤颗粒的单体数（$N$）和体积分数（$ϕ_c$）的函数。在$ϕ_c = 0$处，均聚物根据$N$和温度经历从无规卷曲到螺旋、螺旋发夹\textbf{HH}和螺旋束\textbf{HB}结构的转变。拥挤诱导链压缩，其可促进\textbf{HH}或\textbf{HB}形成，这取决于$ϕ_c$。通常，螺旋含量降低，这反映在取决于$ϕ_c$、$N$和拥挤颗粒的尺寸的转变温度的降低中。
英文摘要：
We elucidate the structural transitions in a helical off-lattice homopolymer induced by crowding agents, as function of the number of monomers ($N$) and volume fraction ($ϕ_c$) of crowding particles. At $ϕ_c = 0$, the homopolymer undergoes transitions from a random coil to a helix, helical hairpin \textbf{HH}, and helix bundle \textbf{HB} structures depending on $N$, and temperature. Crowding induces chain compaction that can promote \textbf{HH} or \textbf{HB} formation depending on $ϕ_c$. Typically, the helical content decreases which is reflected in the decrease in the transition temperatures that depend on $ϕ_c$, $N$, and the size of the crowding particles.
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