变温拉曼光谱和DSC探讨人参皂苷Rb1分子与DPPC双层膜的作用

研究人参皂苷分子与生物膜的作用对于深入了解中药人参的药理活性及其生物学功效至关重要。DPPC作为具有双分子层结构的脂质分子,常被许多国内外学者作为模拟膜的模型来研究药物分子与细胞膜的作用;Rb1作为中药人参中的重要皂苷成分,具有显著的药理学功效和生物性能。拉曼光谱是探讨分子间作用的有力工具,差示扫描量热技术（differential scanning calorimetry, DSC）是研究脂双层分子单体及其与药物分子作用的常用技术,而将两者结合研究药物分子对细胞膜作用的研究的报道较少。本文采用变温拉曼光谱和DSC探讨了在温度变化条件下人参皂苷Rb1单体分子与DPPC双层膜的作用。通过拉曼光谱测试,在Rb1作用前后,DPPC分子极性头部O—C—C—N+和C—C伸缩振动区域以及烷基链部分C—H键的伸缩振动区域的变化表明,随着温度的增加,含有一定浓度Rb1的DPPC磷脂极性头部旁氏构象没有发生变化,脂酰链的无序性构象增多,侧向排列的无序性增强,DPPC脂双层的流动性增加。由DSC实验得到的几个热力学常数[相变温度（T_m）、半峰宽（ΔT_1/2）及相转变焓值（ΔH）]的变化表明,DSC进一步验证了变温拉曼实验结果,随着Rb1浓度的增大,DPPC双层膜的相变温度显著下降,流动性增强,说明Rb1对DPPC双层膜的影响较大。     

X射线小角散射研究温度对DNA/磷脂复合物结构的影响

报道由短链DNA和磷脂分子在水溶液中形成的复合物的小角散射研究结果. 水溶液中, DNA分子和阳性磷脂分子自发组装成有序的复合多层膜结构: 脂双层相互平行, DNA夹在脂双层之间, 在垂直于DNA方向呈现一维有序结构. 逐渐升高体系的温度, 磷脂双分子膜柔软增加, DNA向双分子层内塌陷, 使多层膜层间距逐渐减小. 而由于DNA分子是一种刚性分子, DNA之间的距离在所测温度 范围内没有变化.     

不同衬底上生物膜与Aβ蛋白的相互作用的研究

固体支撑脂质双层膜能很好的模拟生物膜系统,固体衬底的表面结构和性质会影响双层膜的成膜过程、流动性、微区形成以及化学活性,进而影响蛋白的特性。本文,我们在两种衬底云母和二氧化硅表面,构建了包含神经节苷脂GM1的固体支撑脂质双层膜,用拉曼光谱研究了两种衬底表面脂质膜的分子构象。并且,在脂质膜表面加入淀粉样-beta蛋白,分析两种衬底上淀粉样-beta蛋白的构象差异。     

聚乙烯咔唑/C60组合薄膜光诱导电荷转移性质研究

采用物理喷束淀积技术,制备了聚乙烯咔唑(PVK)与富勒烯C60的组合薄膜系列,通过测量这些组合膜和纯膜的稳态和瞬态光生电压,研究了组合膜光诱导电荷转移性质.发现P VK/C60双层组合膜的光生电压比纯PVK薄膜和PVK与C60均匀混合膜有5个数量级的增强,比纯C60薄膜也有大于一个数量级的增强.实验结果证明:在光激发下,组合膜中两种分子间发生了快速的电子转移,并在PVK/C60界面处产生有效的电荷分离,导致PVK/C60双层组合膜光生电压的显著增强.并通过与ITO/C60/Al结构的瞬态光生电压响应的比较,表明了高聚物与C60之间发生了更快的分子间的电荷转移过程.     

半花菁／氮冠（醚）交替LB多层膜的二阶光学非线性性质

对一种新型的，具有双脂链的盘状非活性分子氮冠（醚）（ＮＣ）ＬＢ膜进行了表征。小角Ｘ射线衍射（ＳＡＸＤ）结果表明：纯ＮＣ分子可以形成非常好的ＬＢ膜有序结构。将它与活性分子半花菁（ＤＡＥＰ）制备成Ｙ型交替多层膜，由于半花菁分子的单脂链（长尾）可以镶嵌在ＮＣ分子的双脂链之间，改善了多层膜的结构有序性及稳定性，从而得到二次谐波强度随层数的变化在１￣１１６双层范围内显示出较理想的平方关系。通过二次谐波的测量     

拉曼光谱和DSC研究人参皂苷分子与DMPC双层膜的作用

探讨药物与细胞膜的作用对于改善药物的药理活性、揭示药物的作用机制具有重要意义。利用差示扫描量热(DSC)和拉曼光谱技术对五种人参皂苷分子与DMPC磷脂双层膜的作用进行了实验研究。结果显示,在人参皂苷分子的作用下,DMPC的极性头部骨架构象没有发生变化。Rb1和Rh2增多了脂肪酰链中无序性的构象,增强了侧链排列的无序性,而三醇组皂苷Re,Rf和Rg1对DMPC双层膜的影响较小。DSC结果进一步表明,Rb1和Rh2均与DMPC双层膜发生了强相互作用,两皂苷分子使DMPC的相变温度显著降低,双层膜的流动性增强。Rf对DMPC双层膜的扰动作用要强于Re和Rg1。     

蜂毒肽与二元脂膜相互作用过程的单分子运动行为

蜂毒肽等抗菌肽可通过破坏细菌的细胞膜而直接杀灭细菌,因此它的杀菌功能具有高效、广谱和不易产生耐药性等特点,并被认为有望能从根本上解决目前正严重威胁人类健康的抗生素耐药性问题.然而,抗菌肽通过增强细胞膜的通透性来实现杀菌的分子机制至今尚不清楚.本文结合单分子荧光追踪技术和分子动力学模拟,从单分子运动的角度对蜂毒肽与二元脂质细胞膜的界面相互作用过程进行了研究.结果表明,相较于其他大多数脂分子而言、部分脂分子在膜内的扩散速率会由于蜂毒肽的吸附、聚集、插膜成孔等扰动行为发生显著降低;而蜂毒肽倾向于作用在多组分脂膜相畴的边界处,干扰并降低脂膜相分离的程度,进而降低相边界对脂质分子扩散运动的限制.本工作阐明了蜂毒肽的膜作用活性对脂分子运动行为和脂膜相行为的影响、以及三者之间的关联.这些结果对于从单分子运动行为的角度来探索抗菌肽生物活性的分子机制和开发新型抗菌药物具有重要的指导意义.     

聚乙烯咔唑/C60组合薄膜光诱导电荷转移性质研究

采用物理喷束淀积技术,制备了聚乙烯咔唑(PVK)与富勒烯C60的组合薄膜系列,通过测量这些组合膜和纯膜的稳态和瞬态光生电压,研究了组合膜光诱导电荷转移性质.发现PVK/C60双层组合膜的光生电压比纯PVK薄膜和PVK与C60均匀混合膜有5个数量级的增强,比纯C60薄膜也有大于一个数量级的增强.实验结果证明:在光激发下,组合膜中两种分子间发生了快速的电子转移,并在PVK/C60界面处产生有效的电荷分离,导致PVK/C60双层组合膜光生电压的显著增强.并通过与ITO/C60/Al结构的瞬态光生电压响应的比较, 关键词：     

基于柱芳烃及其配体的抗生素缓释体系制备

脂质体能够作为药物载体,具有疏水特性的柱芳烃和配体分子自发嵌入到磷脂双分子层膜后可构建抗生素缓释体系。实验结果表明,包载在脂质体内部的抗生素能够通过柱芳烃通道向外释放,在1 800 s时,释放率可以达到99.51%。配体分子在与柱芳烃结合后会阻塞柱芳烃通道,阻碍抗生素向外释放,当配体分子和柱芳烃配比为1∶1时,脂质体内部抗生素释放速率几乎趋近于0。     

胰岛素与其受体分子相互作用的ESR的波谱研究

本文首次制备了胰岛素氮氧自由基,研究了胰岛素探针与其受体结合过程中ESR波谱参数的动力学变化.实验表明胰岛素与其受体结合前后,膜蛋白质的构象、胰岛素分子的旋转相关时间(τ_c)和胰岛素氮氧自由基的ESR波谱振幅(h₀)均发生明显的变化,这些变化均与胰岛素-受体的内噬现象有关系.当封闭受体上的巯基、氨基或羟基时,胰岛素与其受体的结合能力便受到一定的阻抑作用.     

铁磁/反铁磁双层薄膜中自旋波特性研究

本文在一维海森堡模型的基础上,采用界面参数化方法,研究了非周期性边界条件下,铁磁/反铁磁双层薄膜中自旋波低温激发问题.重点讨论了表面各项异性对薄膜中自旋波谱、色散关系的影响.结果表明:表面各向异性对铁磁层中自旋波谱影响较大,对色散关系影响甚微。     

铁电双层膜的反转动力学行为

基于Landau-Khalatnikov运动方程,本文研究了含有表面过渡层和铁电界面耦合的反转动力学行为(包括平均极化、反转时间、反转电流和矫顽场).研究结果表明:在铁电双层膜系统中存在一个竞争的机理,即表面过渡层与界面耦合的竞争作用.我们发现在双层膜反转过程中出现了反常行为,这些反常行为归因于表面过渡层与界面耦合之间的竞争.表面过渡层与界面耦合的共同行为对铁电双层膜的动力学特性起到了决定性的作用.     

Structure and Dynamics of Ethanol Adsorbed on a Mica Surface

The structural and dynamic properties of nanoscale ethanol film on a mica surface are investigated via molecular dynamics simulations.We observe a dense,almost flat ethanol bilayer formed in the vicinity of the mica surface,with the hydrophobic alkyl groups pointing outward from the surface.Remarkably,such ethanol bilayer is laterally well-ordered with patterned adsorption sites.Each ethanol molecule in the first layer donates one hydrogen bond to the surface basal oxygen atoms and accepts one hydrogen bond from that in the second layer.The ethanol molecules within the bilayer exhibit constrained lateral mobility and delayed dynamics as compared with bulk ethanol,whereas those on top of the bilayer have bulk-like characteristics.     

Dielectric susceptibility of a ferroelectric bilayer film with surface transition layers

Using the transverse Ising model within the framework of the mean-field theory, we investigate a ferroelectric bilayer film with the surface transition layer within each constituent slab and an antiferroelectric interfacial coupling between two slabs. The combined influence of the surface transition layer and antiferroelectric interfacial coupling on the dielectric susceptibility of a bilayer film is discussed in detail. The results show that the surface transition layer plays a crucial role in dielectric susceptibility of a bilayer film.     

Raman analysis of bilayer graphene film prepared on commercial Cu(0.5 at% Ni) foil

This study reports the Raman analysis of bilayer graphene films prepared on commercial dilute Cu(0.5 at% Ni) foils using atmospheric pressure chemical vapor deposition. A bilayer graphene film obtained on Cu foil is known to have small areas of bilayer (islands) with a significant fraction of non‐Bernal stacking, while that obtained on Cu/Ni is known to grow over a large area with Bernal stacking. In the Raman optical microscope images, a wafer‐scale monolayer and large‐area bilayer graphene films were distinguished and confirmed with Raman spectra intensities ratios of 2D to G peaks. The large‐area part of bilayer graphene film obtained was assisted by Ni surface segregation because Ni has higher methane decomposition rate and carbon solubility compared with Cu. The Raman data suggest a Bernal stacking order in the prepared bilayer graphene film. A four‐point probe sheet resistance of graphene films confirmed a bilayer graphene film sheet resistance distinguished from that of monolayer graphene. A relatively higher Ni surface concentration in Cu(0.5 at% Ni) foil was confirmed with time‐of‐flight secondary ion mass spectrometry. The inhomogeneous distribution of Ni in a foil and the diverse crystallographic surface of a foil (confirmed with proton‐induced X‐ray emission and electron backscatter diffraction, respectively) could be a reason for incomplete wafer‐scale bilayer graphene film. The Ni surface segregation in dilute Cu(0.5 at% Ni) foil has a potential to impact on atmospheric pressure chemical vapor deposition growth of large‐area bilayer graphene film. Copyright © 2015 John Wiley & Sons, Ltd.     

The hysteresis loops of a ferroelectric bilayer film with surface transition layers

Based on the transverse Ising model in the framework of the mean field approximation,this paper discusses a ferroelectric bilayer film with the surface transition layers within each constituent slab and an antiferroelectric interfacial coupling between two slabs.The hysteresis loop of a bilayer film is investigated.The results show that the surface transition layer in a ferroelectric bilayer film plays a significant role in realizing the multiple-state memory.     

Localized states at zigzag edges of bilayer graphene

We report the existence of zero-energy surface states localized at zigzag edges of bilayer graphene. Working within the tight-binding approximation we derive the analytic solution for the wave functions of these peculiar surface states. It is shown that zero-energy edge states in bilayer graphene can be divided into two families: (i) states living only on a single plane, equivalent to surface states in monolayer graphene and (ii) states with a finite amplitude over the two layers, with an enhanced penetration into the bulk. The bulk and surface (edge) electronic structure of bilayer graphene nanoribbons is also studied, both in the absence and in the presence of a bias voltage between planes.     

Si(111)分子束外延的生长动力学过程研究

本文用反射式高能电子衍射(RHEED)强度振荡研究了不同生长温度下Si(111)分子束外延的生长动力学过程,生长温度高于520℃(生长速率约0.15?/S)时,Si(111)外延为“台阶流”生长模式,生长温度低于475℃时,外延为“二维成核”双原子层生长模式,在较低温,甚至室温时,其外延仍为双原子层模式,但是镜向弹性散射束振荡和非弹性散射束振荡的叠加会造成RHEED强度在生长的最初阶段出现“类单原子层”模式的振荡特性。 关键词：     

Band topology and the quantum spin Hall effect in bilayer graphene

We consider bilayer graphene in the presence of spin-orbit coupling, in order to assess its behavior as a topological insulator. The first Chern number n for the energy bands of single-layer graphene and that for the energy bands of bilayer graphene are computed and compared. It is shown that for a given valley and spin, n for a Bernal-stacked bilayer is doubled with respect to that for the monolayer. This implies that this form of bilayer graphene will have twice as many edge states as single-layer graphene, which we confirm with numerical calculations and analytically in the case of an armchair terminated surface. Bernal-stacked bilayer graphene is a weak topological insulator, whose surface spectrum is susceptible to gap opening under spin-mixing perturbations. We assess the stability of the associated topological bulk state of bilayer graphene under various perturbations. In contrast, we show that AA-stacked bilayer graphene is not a topological insulator unless the spin-orbit coupling is bigger than the interlayer hopping. Finally, we consider an intermediate situation in which only one of the two layers has spin-orbit coupling, and find that although individual valleys have non-trivial Chern numbers for the case of Bernal stacking, the spectrum as a whole is not gapped, so the system is not a topological insulator.     

Vibrational recognition of hydrogen-bonded water networks on a metal surface

The adsorption of water on Pt(111) surface has been studied with ab initio molecular dynamics simulation. Both the energetics and vibrational dynamics indicate the existence of a well-ordered molecular bilayer on this surface. This conclusion is in contrast to the recent result of water on Ru(0001) surface, but agrees with available experiments. In addition, our calculation identifies two different hydrogen bonds in the bilayer. Both can be directly recognized from the vibrational spectra of the OH stretch modes.