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2,3,6‑Tricarboxy cellulose nanofiber (TPC-CNFs) was prepared by 2,2,6,6-tetramethylpiperidine‑1‑oxyl (TEMPO) oxidation of dissolving cellulose pulp (selective at C-6) followed by periodate-chlorite oxidation (selective on C-2 and C-3). Characterization of the prepared samples were carried out using, atomic force microscope (AFM), carboxylate content determination, FTIR spectroscopy, X-ray diffraction and light transmittance spectra. Also, the mechanical properties of TEMPO-oxidized of cellulose nanofiber (T-CNFs) and TPC-CNFs with and without polyamide-amine-epichlorohydrin crosslinker (PAE) films were determined which the tensile strength were 8.19, 12.43 and 20.5 MPa and elastic moduli of 1814, 1097 and 1150 MPa respectively. Tricaboxy cellulose nanofiber was developed as a novel adsorbent of heavy metal ions. Removal of heavy metals such as Cu 2+ , Ca 2+ and Pb 2+ from aqueous solution was carried out and the adsorption efficiencies were analyzed. On the other hand, the effect of the addition of the crosslinking agent to CNFs and the carboxylate contents of CNFs were investigated., (Copyright © 2018 Elsevier B.V. All rights reserved.)

The main purpose of this study is to explore the sulfation of xylan to produce an anionic flocculant, sulfated xylan, for removing ethyl violet dye from simulated dye solutions. In this work, xylan was sulfated with chlorosulfonic acid in N, N-dimethylformamide solvent and the reaction conditions were optimized using a response surface methodology. It was observed that the maximum degree of substitution of 1.1 was obtained for sulfated xylan under the conditions of 3.71 chlorosulfonic acid/xylan molar ratio, 70°C and 7 h reaction time. The resulting sulfated xylan had a charge density of -3.12 mmol/g and molecular weight (M w ) of 22,300 g/mol. Furthermore, elemental and thermogravimetric analyses, Fourier transform infrared spectroscopy and proton nuclear magnetic resonance ( 1 H-NMR) confirmed the sulfation of xylan. The application of sulfated xylan as a flocculant for decolorizing the simulated ethyl violet dye wastewater was studied. The results indicated that 97% of dye was removed from 50 mg/L dye solution at the sulfated concentration of 175 mg/L and pH 9, but unmodified xylan was ineffective in flocculating and removing dye segments. © 2018 American Institute of Chemical Engineers Biotechnol. Prog., 34:529-536, 2018., (© 2018 American Institute of Chemical Engineers.)

Solubility parameter based methods have long been a valuable tool for solvent formulation and selection. Of these methods, the MOdified Separation of Cohesive Energy Density (MOSCED) has recently been shown to correlate well the equilibrium solubility of multifunctional non-electrolyte solids. However, before it can be applied to a novel solute, a limited amount of reference solubility data is required to regress the necessary MOSCED parameters. Here we demonstrate for the solutes methylparaben, ethylparaben, propylparaben, butylparaben, lidocaine and ephedrine how conventional molecular simulation free energy calculations or electronic structure calculations in a continuum solvent, here the SMD or SM8 solvation model, can instead be used to generate the necessary reference data, resulting in a predictive flavor of MOSCED. Adopting the melting point temperature and enthalpy of fusion of these compounds from experiment, we are able to predict equilibrium solubilities. We find the method is able to well correlate the (mole fraction) equilibrium solubility in non-aqueous solvents over four orders of magnitude with good quantitative agreement.