Abstract Using two typical experimental methods, differential scanning calorimetric (DSC) analysis and Fourier Transform Infrared (FTIR) spectroscopy, we have studied the effect of single wall carbon nanotubes (SWCNTs), both amide functionalized (f–SWCNTs) and non-functionalized pristine (p-SWCNTs), on the thermal and structural properties of the SOPC phospholipid. We proposed and discussed possible physical mechanisms driving the thermodynamic and structural states of the bionanocomposites – SOPC/pSWCNTs and SOPC/f-SWCNTs. By FTIR spectroscopy, we demonstrated that p-SWCNTs have less affinity to create and sustain hydrogen bonds polpulaion with the phospholipids carbonyl groups than of the f-SWCNTs. The asymmetric shape of the thermal peaks in the DSC curves suggests the presence of an intermediate state, between gel and liquid crystal, revealing the non-completeness of the transition characterized by the competition of van’t Hoff enthalpy and the calorimetric one. To gain insights into the SOPC molecule’s structure fluctuations with time, in the presence of functionalized and non-functionalized carbon nanotubes, we consider conformational fluctuations able to alter the thermal and spectral characteristics of the single molecule. The time between two non-correlated fluctuating conformational structures was used to assess the dynamic conformational evolution. We found that SOPC/f-SWCNTs is more stable than that of SOPC/p-SWCNTs due to the effective hydrogen-bonding role of the amide radical. Considering, the level of interdigitation of the hydrocarbon chains, we found that the liquid crystal-gel phase transition is more likely a transition between the non-interdigitated liquid crystals and an interdigitated gel phases.

中文翻译：

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通过 DSC 和 FTIR 光谱研究嵌入原始和酰胺功能化单壁碳纳米管的 SOPC

摘要 使用差示扫描量热 (DSC) 分析和傅立叶变换红外 (FTIR) 光谱这两种典型的实验方法，我们研究了单壁碳纳米管 (SWCNT)、酰胺功能化 (f-SWCNTs) 和非功能化原始碳纳米管 (SWCNTs) 的影响。 (p-SWCNTs)，关于 SOPC 磷脂的热和结构特性。我们提出并讨论了驱动生物纳米复合材料的热力学和结构状态的可能物理机制——SOPC/pSWCNTs 和 SOPC/f-SWCNTs。通过 FTIR 光谱，我们证明 p-SWCNTs 与 f-SWCNTs 相比，对产生和维持与磷脂羰基团的氢键的亲和力更低。DSC 曲线中热峰的不对称形状表明存在凝胶和液晶之间的中间状态，揭示了以范特霍夫焓和量热焓的竞争为特征的转变的不完整性。为了深入了解 SOPC 分子的结构随时间的波动，在存在功能化和非功能化碳纳米管的情况下，我们考虑了能够改变单个分子的热和光谱特性的构象波动。两个不相关的波动构象结构之间的时间用于评估动态构象演变。我们发现，由于酰胺自由基的有效氢键作用，SOPC/f-SWCNTs 比 SOPC/p-SWCNTs 更稳定。考虑到烃链的交叉程度，