Search

Simulation data for DHHC palmitoylation. Titles indicate the particular mutation and associated topologies files are included. Jupyter Notebooks for analysis attached (1) AnalyzeContactDistance -- Compute the distances and angles from mutations outlined in paper and indicated by title (2) FreeEnergyCycle -- Construct Thermodynamic cycle to compute ddG of mutation following Bennett Acceptance Ratio protocol. dE-1/2 are for independent MD trajectories and are average together. &nbsp

The cross-linked poly(vinyl alcohol) (PVA)/poly(vinylidene fluoride) composite flat sheet membranes were successfully prepared by phase inversion method. Ferric trichloride (FeCl3) particles were used as cross-linker. PVA is cross-linked during the membrane fabrication. The structures of formed membranes were investigated using scanning electron microscopy and Fourier transform infrared spectroscopy (FTIR). The hydrophilic contact angle, pure water flux, and tensile strength were measured to assess the membrane performance. The antifouling performance of modified membrane for the secondary effluent of urban sewage was evaluated by flux decline, washing recovery rate, fouling resistance analysis, and fractions distribution of different hydrophilicities. FTIR showed that the peak intensity, attributed to –OH groups, decrease gradually with the increase of FeCl3, indicating the formation of a PVA–Fe3+ net work structure. The addition of cross-linking agent FeCl3 confined the compaction of membranes, ...