一个三烯光盘分子HAT6的动力学,在柱状和同otropic液体阶段
Fokko M Mulder1, John Stride, Stephen J Picken
1Interfaculty Reactor Institute, Delft University of Technology, Mekelweg 15, The Netherlands.
Journal of the American Chemical Society
|March 27, 2003
概括
分子动力学揭示了光盘分子运动是强烈相关的,影响电子和光伏材料中的电荷转移. 这些动态甚至在液态阶段也存在.
科学领域:
- 材料科学 材料科学 材料科学
- 凝聚物质物理学 凝聚物质物理学
- 超分子化学 超分子化学
背景情况:
- 迪斯科分子自组装成柱状结构,形成"分子电线",在分子电子和光伏中具有潜在的应用.
- 在这些材料中,异型电荷转移取决于分子核之间的pi轨道重叠.
研究的目的:
- 研究磁盘分子的动力学,特别是六基 (n-hexyloxy) 三烯 (HAT6) 的动力学,以及它们与分子结构的相关性.
- 了解分子动力学如何影响导电材料相关的电荷转移特性.
主要方法:
- 结合半弹性中子散射 (QENS) 测量与分子动力学模拟.
- 分析了HAT6分子核心和外围基尾的动态.
主要成果:
- 迪斯科特分子核心和尾部动力学是强烈相关的,而不是分离的.
- 观测到的平面内运动 (0.2 ps) 和平面外运动 (7 ps),以范德瓦尔斯相互作用为主.
- 这些动态在柱状和同otropic 液态相中都是相似的,在液态相中仍然存在相关性.
结论:
- 磁盘材料中的分子运动是内在联系的,并且发生在与电荷转移相似的时间尺度上,直接影响导电性.
- 尾尾相互作用显著影响在平面内和平面外的运动.
- 观察到的动态和持久的相关性表明,即使在液态阶段,也有可能存在有序结构和电荷传输.
相关概念视频
Mechanisms of Membrane-bending
The living membranes are flexible due to their fluid mosaic nature; however, their bending into different shapes is an active process regulated by specific lipids and proteins. The membrane bending can be transient as seen in vesicles or stable for a long time as in microvilli. Cells regulate the size, location, and duration of the membrane curvature.
Membrane bending can happen due to intrinsic changes in lipid composition or extrinsic association with different proteins. The proteins involved...
Membrane bending can happen due to intrinsic changes in lipid composition or extrinsic association with different proteins. The proteins involved...
ATP Driven Pumps I: An Overview
ATP-driven pumps, also known as transport ATPases, are integral membrane proteins. They have binding sites for ATP located on the membrane's cytosolic side and the ion-conducting domain in the transmembrane region. These pumps use the free energy released from ATP hydrolysis to move the solutes across cell membranes against an electrochemical gradient.
There are four main types of ATP-driven pumps - P-type, V-type, F-type, and ABC transporter. All these pumps are of varying complexities and are...
There are four main types of ATP-driven pumps - P-type, V-type, F-type, and ABC transporter. All these pumps are of varying complexities and are...
Energy to Drive Translocation
Mitochondrial protein import is powered by two distinct energy sources: ATP hydrolysis and electrochemical potential across the inner membrane. Newly synthesized precursors are bound by cytosolic chaperones of the Hsp70 family, which guide them to the import receptors on the mitochondrial surface. Utilizing the energy of ATP hydrolysis, Hsp70 chaperones transfer these precursors to the TOM receptors on the mitochondrial outer membrane.
Generally, polypeptides are unfolded by two distinct...
Generally, polypeptides are unfolded by two distinct...
ATP Driven Pumps II: P-type Pumps
The P-type pumps are a large family of integral membrane transporter ATPases. They are divided into five major types based on substrate specificity, from I to V.
A typical P-type pump has three cytosolic domains: nucleotide-binding (N), phosphorylation (P), and activator (A) domains. These domains are connected to the membrane-spanning helices by short amino acid segments. ATP hydrolysis and covalent phosphoenzyme intermediate formation are crucial parts of the catalytic cycle. At the highly...
A typical P-type pump has three cytosolic domains: nucleotide-binding (N), phosphorylation (P), and activator (A) domains. These domains are connected to the membrane-spanning helices by short amino acid segments. ATP hydrolysis and covalent phosphoenzyme intermediate formation are crucial parts of the catalytic cycle. At the highly...
ATP Driven Pumps III: V-type Pumps
V-type pumps are ATP-driven pumps found in the vacuolar membranes of plants, yeast, endosomal and lysosomal membranes of animal cells, plasma membranes of a few specialized eukaryotic cells, and some prokaryotes. They are also known as the V1Vo-ATPase, that couple ATP hydrolysis to transport protons against a concentration gradient.
The peripheral or cytosolic V1 domain with eight subunits is involved in ATP hydrolysis. The integral or transmembrane V0 domain containing at least five subunits...
The peripheral or cytosolic V1 domain with eight subunits is involved in ATP hydrolysis. The integral or transmembrane V0 domain containing at least five subunits...


