Octadecylamine as chemical modifier for tuned hydrophobicity of surface modified cellulose: toward organophilic cellulose nanocrystals

Cellulose - A novel, environmentally friendly and simple method for chemical functionalization of microcrystalline cellulose (MCC) to produce organophilic cellulose nanocrystals (CNC-ODA) is herein...     

Glycosyl‐Substituted Dicarboxylates as Detergents for the Extraction,Overstabilization, and Crystallization of Membrane Proteins

To tackle the problems associated with membrane protein (MP) instability in detergent solutions, we designed a series of glycosyl‐substituted dicarboxylate detergents (DCODs) in which we optimized the polar head to clamp the membrane domain by including, on one side, two carboxyl groups that form salt bridges with basic residues abundant at the membrane–cytoplasm interface of MPs and, on the other side, a sugar to form hydrogen bonds. Upon extraction, the DCODs 8 b , 8 c , and 9 b preserved the ATPase function of BmrA, an ATP‐binding cassette pump, much more efficiently than reference or recently designed detergents. The DCODs 8 a , 8 b , 8 f , 9 a , and 9 b induced thermal shifts of 20 to 29 °C for BmrA and of 13 to 21 °C for the native version of the G‐protein‐coupled adenosine receptor A_2AR. Compounds 8 f and 8 g improved the diffraction resolution of BmrA crystals from 6 to 4 Å. DCODs are therefore considered to be promising and powerful tools for the structural biology of MPs.     

Lagrangean heuristics combined with reoptimization for the 0-1 bidimensional knapsack problem

First, this paper deals with lagrangean heuristics for the 0-1 bidimensional knapsack problem. A projected subgradient algorithm is performed for solving a lagrangean dual of the problem, to improve the convergence of the classical subgradient algorithm. Secondly, a local search is introduced to improve the lower bound on the value of the biknapsack produced by lagrangean heuristics. Thirdly, a variable fixing phase is embedded in the process. Finally, the sequence of 0-1 one-dimensional knapsack instances obtained from the algorithm are solved by using reoptimization techniques in order to reduce the total computational time effort. Computational results are presented.     

Stereoselective synthesis of N-aryl proline amides by biotransformation-Ugi-Smiles sequence

An efficient combination of MAO-N-catalyzed desymmetrization of cyclic meso-amines with Ugi-Smiles multicomponent chemistry produced optically pure N-aryl proline amides. This method represents the first report of a fully asymmetric Ugi-Smiles process.     

Remarks on the asymptotic behavior of scalar auxiliary variable (SAV) schemes for gradient-like flows

We introduce a time semi-discretization of a damped wave equation by a SAV scheme with second order accuracy. The energy dissipation law is shown to hold without any restriction on the time step. We prove that any sequence generated by the scheme converges to a steady state (up to a subsequence). We notice that the steady state equation associated to the SAV scheme is a modified version of the steady state equation associated to the damped wave equation. We show that a similar result holds for a SAV fully discrete version of the Cahn-Hilliard equation and we compare numerically the two steady state equations.     

Existence Results for a Class of <Emphasis Type="Italic">p</Emphasis>(<Emphasis Type="Italic">x</Emphasis>)- Kirchhoff Problem with a Singular Weight

The present article is concerned with the following nonlocal elliptic equation involving concave and convex terms,

$$\begin{array}{ll}- M \left(\int_\Omega \frac{1}{p(x)}|\nabla u|^{p(x)}{\rm d}x\right)\Big(\Delta_{p(x)}u\Big) \!&=\! \lambda \big(g(x)|u|^{q(x)-2}u\!-\!h(x)\\ &\quad |u|^{r(x)-2}u\big), \quad x\in \Omega,\\ & u = 0,\quad x\in \partial\Omega. \end{array}$$

By means of the variational approach, we prove that the above problem admits a sequence of infinitely many solutions under suitable assumptions.

     

Fermi level engineering of single-walled carbon nanotubes by AuCl3 doping

We investigated the modulation of optical properties of single-walled carbon nanotubes (SWCNTs) by AuCl 3 doping. The van Hove singularity transitions (E 11 (S), E 22 (S), E 11 (M)) in absorption spectroscopy disappeared gradually with an increasing doping concentration and a new peak appeared at a high doping concentration. The work function was downshifted up to 0.42 eV by a strong charge transfer from the SWCNTs to AuCl 3 by a high level of p-doping. We propose that this large work function shift forces the Fermi level of the SWCNTs to be located deep in the valence band, i.e., highly degenerate, creating empty van Hove singularity states, and hence the work function shift invokes a new asymmetric transition in the absorption spectroscopy from a deeper level to newly generated empty states.     

Ultrahigh CO2 adsorption capacity on carbon molecular sieves at room temperature

Although metal-organic framework (MOF) materials have been postulated as superior to any other sorbent for CO(2) adsorption at room temperature, here we prove that the appropriate selection of the raw material and the synthesis conditions allows the preparation of carbon molecular sieves (CMSs) with adsorption capacity, on a volumetric basis, highly exceeding those reported in the literature for MOFs. Furthermore, the excellent sorption properties of CMSs over the whole pressure range (up to 50 bar) are fully reversible after different adsorption/desorption cycles.