Here we describe the development of an improved workflow for utilizing experimental and simulated protein conformations in the structure-based design of inhibitors for anti-apoptotic Bcl-2 family proteins. Traditional structure-based approaches on similar targets are often constrained by the sparsity of available structures and difficulties in finding lead compounds that dock against flat, flex...

Recently, IL/cosolvent systems have generated a lot of interest as cellulose-dissolving solvents and reaction media for various kinds of cellulose modification. In the present study, both 1-allyl-3-methylimidazolium chloride (AmimCl)/dimethyl sulfoxide (DMSO) and AmimCl/N,N-dimethylformamide (DMF) systems were employed to synthesize cellulose acetate by transesterification. Microcrystalline cel...

The work described here is based on a comparative study of carotenoids and fatty acids extracted from Synechococcus sp. with 1) pure supercritical CO2; 2) CO2 with 5% (v/v) ethanol as cosolvent; and 3) ultrasound-assisted extraction using N, N-dimethylformamide (DMF). The effects of extraction conditions on supercritical CO2 extraction with and within cosolvent were analyzed at different temper...

The molecular structure and hydrogen bonding of ethylene glycol (EG) and EG-water mixtures in the liquid phase were studied by using near-infrared (NIR) spectroscopy. The spectra were evaluated using a two-dimensional (2D) correlation approach, moving-window 2D correlation analysis and chemometric methods. The minor changes for the CH stretching bands indicate that the structures of pure liquid...

In this study, we report on the electrical response of top-down, p-type silicon nanowire field-effect transistors exposed to water and mixtures of water and dioxane. First, the capacitive coupling of the back gate and the liquid gate via an Ag/AgCl electrode were compared in water. It was found that for liquid gating smaller potentials are needed to obtain similar responses of the nanowire comp...

Flash point is the most important variable used to characterize fire and explosion hazard of liquids. Herein, partially miscible mixtures are presented within the context of liquid-liquid extraction processes and heterogeneous distillation processes. This paper describes development of a model for predicting the flash point of binary partially miscible mixtures of aqueous-organic system. To con...

In the work described here, two techniques for the recovery of anthocyanins from potato peel were studied and compared. One of the techniques employed was supercritical fluid extraction (SFE) with pure CO2 or with CO2 and ethanol as cosolvent and the other technique was pressurized liquid extraction (PLE), where the solvent used was ethanol in water acidified to pH 2.6. The effects of pressure ...