Dioctadecyldimethylammonium bromide (DODAB), a potential candidate for applications in drug transport or DNA transfection, forms bilayer in aqueous media exhibiting a rich phase behavior. Here, we report the detailed dynamical features of DODAB bilayer in their different phases (coagel, gel and fluid) as studied by neutron scattering techniques. Elastic intensity scans show dynamical transitions at 327 K in the heating and at 311 K and 299 K during cooling cycle. These results are consistent with calorimetric studies, identified as coagel-fluid phase transition during heating, and fluid-gel and gel-coagel phase transitions during cooling. Quasielastic Neutron Scattering (QENS) data analysis showed presence of only localized internal motion in the coagel phase. However, in the gel and fluid phases, two distinct motions appear, namely lateral motion of the DODAB monomers and a faster localized internal motion of the monomers. The lateral motion of the DODAB molecule is described by a continuous diffusion model and is found to be about an order of magnitude slower in the gel phase than in the fluid phase. To gain molecular insights, molecular dynamics simulations of DODAB bilayer have also been carried out and the results are found to be in agreement with the experiment.

Ionic liquids (ILs) are potential candidates for new antimicrobials due to their tunable antibacterial and antifungal properties that are required to keep pace with the growing challenge of bacterial resistance. To a great extent their antimicrobial actions are related to the interactions of ILs with cell membranes. Here, we report the effects of ILs on the nanoscopic dynamics and phase behaviour of a dimyristoylphosphatidylcholine (DMPC) membrane, a model cell membrane, as studied using neutron scattering techniques. Two prototypical imidazolium-based ILs 1-butyl-3-methylimidazolium tetrafluoroborate (BMIM[BF4]) and 1-decyl-3-methylimidazolium tetrafluoroborate (DMIM[BF4]), which differ only in terms of the alkyl chain length of cations, have been used for the present study. Fixed Elastic Window Scan (FEWS) shows that the incorporation of ILs affects the phase behaviour of the phospholipid membrane significantly and the transition from a solid gel to a fluid phase shifts to lower temperature. This is found to be consistent with our differential scanning calorimetry measurements. DMIM[BF4], which has a longer alkyl chain cation, affects the phase behaviour more strongly in comparison to BMIM[BF4]. The pressure-area isotherms of the DMPC monolayer measured at the air-water interface show that in the presence of ILs, isotherms shift towards higher area-per lipid molecule. DMIM[BF4] is found to shift the isotherm to a greater extent compared to BMIM[BF4]. Quasielastic neutron scattering (QENS) data show that both ILs act as a plasticizer, which enhances the fluidity of the membrane. DMIM[BF4] is found to be a stronger plasticizing agent in comparison to BMIM[BF4] that has a cation with a shorter alkyl chain. The incorporation of DMIM[BF4] enhances not only the long range lateral motion but also the localised internal motion of the lipids. On the other hand, BMIM[BF4] acts weakly in comparison to DMIM[BF4] and mainly alters the localised internal motion of the lipids. Any subtle change in the dynamical properties of the membrane can profoundly affect the stability of the cell. Hence, the dominant effect of the IL with the longer chain length on the dynamics of the phospholipid membrane might be correlated with its cytotoxic activity. QENS data analysis has provided a quantitative description of the effects of the two imidazolium-based ILs on the dynamical and phase behaviour of the model cell membrane, which is essential for a detailed understanding of their action mechanism.

The molecular dynamics of sodium dodecyl sulfate (SDS) micelle has been investigated using high-resolution incoherent quasielastic neutron scattering technique. Data analysis clearly shows presence of two distinct motions: whole micellar motion or global diffusion and faster internal motion of the SDS monomer. The global diffusion associated with the whole micelle is found to be Fickian in nature, and the corresponding diffusion coefficients are found to be consistent with those obtained from dynamic light scattering measurements. The internal motion is described with a model consistent with the structure of the micelle and which accounts for the flexibility of the chains. The SDS monomer consists of a head group, which lies on the surface of the globular micelle, and a tail that hangs from the head toward the center of the globule. Considering various factors like conformational changes of the SDS chains, bending, stretching of the chemical bonds, etc., the dynamics of the SDS molecules is successfully described by a model in which the hydrogen atoms undergo localized translational motion confined within spherical volumes. This volume increases linearly along the SDS chain such that the hydrogen atoms closer to the head group move within smaller spheres with lower diffusion constant than the hydrogen atoms away from the head group. This model is found to be consistent with the data over the whole temperature and concentration range. Diffusivity and the volume of the spheres are also found to increase with temperature. The effect of lowering the SDS concentration is found to be similar to that of increasing the temperature.