Brownian-particle motion used to characterize mechanical properties of lipid vesicles.

We present a method that takes advantage of the Brownian motion of a colloidal particle to experimentally determine the area stretch modulus of giant liposomes in solution, in regard to the continuum mechanics theory of elasticity. The characteristic parameters of the corresponding model are measured by using the three-dimensional version of digital video microscopy. Such an approach makes use of the diffraction pattern generated by fluorescent spheres found below the focal plane of the microscope objective, allowing the spatial location of the sphere and, thus, the reconstruction of its trajectory. When this particle probe is localized in the neighborhood of a bilayer membrane, its motion causes an elastic distortion of the membrane that is quantifiable. More importantly, such deformation is related to the mentioned modulus, whose measured values are consistent with experimental data obtained through well-known techniques.

Time-resolved study of optical properties and microscopic dynamics during the drying of TiO2 films by spectral diffusing wave spectroscopy.

We present a combined experimental, theoretical, and numerical study of photon transport and microscopic dynamics in rigid and drying turbid thin films. Our setup is based in multispeckle diffusing wave spectroscopy and is adapted for frequency sweep of the illuminating source. We apply our approach to simultaneously monitor the changes in optical properties and microscopic dynamics of turbid thin films of rutile TiO2 powder dispersed in ethanol during the full drying process. Accordingly, we introduce an extension of the photon diffusion model for spectral speckle intensity correlations to account for system microscopic dynamics. We find that our results are well described by the model, where parameters required as the time-dependent sample thickness and transport mean free path are obtained from experiments. Furthermore, our findings are validated by numerical simulations of speckle dynamics based on the copula scheme. We consider that our scheme could be useful in time-resolved physical characterization of time-evolving turbid thin systems.

KCD: A prediction web server of knowledge-based circular dichroism.

We present a web server that predicts the far-UV circular dichroism (CD) spectra of proteins by utilizing their three-dimensional (3D) structures from the Protein Data Bank (PDB). The main algorithm is based on the classical theory of optical activity together with a set of atomic complex polarizabilities, which are obtained from the analysis of a series of synchrotron radiation CD spectra and their related 3D structures from the PDB. The results of our knowledge-based CD method (KCD) are in good agreement with measured spectra that could include the effect of D-amino acids. Our method also delivers some of the most accurate predictions, in comparison with the calculated spectra from well-established models. Specifically, using a metric of closeness based on normalized absolute deviations between experimental and calculated spectra, the mean values for a series of 57 test proteins give the following figures for such models: 0.26 KCD, 0.27 PDBMD2CD, 0.30 SESCA, and 0.47 DichroCalc. From another point of view, it is worth mentioning the remarkable capabilities of the recent approaches based on artificial intelligence, which can precisely predict the native structure of proteins. The structure of proteins, however, is flexible and can be modified by a diversity of environmental factors such as interactions with other molecules, mechanical stresses, variations of temperature, pH, or ionic strength. Experimental CD spectra together with reliable predictions can be utilized to assess eventual secondary structural changes. A similar kind of evaluation can be done for the case of an incomplete protein structure that has been reconstructed by using different approaches. The KCD method can be freely accessed from: https://kcd.cinvestav.mx/.

Experimental Determination of High-Order Bending Elastic Constants of Lipid Bilayers.

We present a method to describe the formation of small lipid vesicles in terms of three bending elastic constants that can be experimentally measured. Our method combines a general expression of the elastic free energy of the bilayer and the thermodynamic description of molecular aggregation. The resulting model requires the size distribution of liposomes, which is determined from the X-ray scattered intensity spectra of vesicular dispersions. By using two different preparation methods, we studied a series of vesicular solutions made of distinct lipids and we obtained their corresponding bending elastic constants that are consistent with known bending rigidities.