Higher Hydrocarbon Production through Oxidative Coupling of Methane Combined with Hydrogenation of Carbon Oxides

In the production of higher hydrocarbons, combining oxidative coupling of methane (OCM) with hydrogenation of the formed carbon oxides in a separate reactor provides an alternative to the currently applied methane conversion to syngas followed by Fischer‐Tropsch synthesis. The effects of CH₄:O₂ feed ratio in the OCM reactor and partial pressures of H₂ or/and H₂O in the hydrogenation reactor were analyzed to maximize production of C₂₊ hydrocarbons and reduce CO_x formation. The highest C₂₊ yield was achieved with low CH₄:O₂ feed ratio for OCM and removal of the formed water before entering the hydrogenation reactor.     

Cotton Yarn Sizing by Acrylamide Grafted Starch Copolymer

Synthesis and characterization of copolymer obtained by grafting acrylamide onto hydrolyzed potato starch and its application in cotton yarn sizing were presented in this work. Some process parameters of starch hydrolysis and grafting, like as hydrolysis yield, grafting yield, grafting percentage, graft efficiency, and monomer to polymer conversion were determinated. Molar mass values of hydrolyzed starch and copolymer samples are located in a narrow range of 1 × 10⁵ to 1 × 10⁷ and 1 × 10² to 1 × 10⁴. Grafted hydrolyzed starch, as a sizing agent, gives better results than nongrafted, particularly in terms of sizing uniformity, yarn mechanical parameters, and easier removal in subsequent desizing process.     

Binding Mode and Structure–Activity Relationships around Direct Inhibitors of the Nrf2–Keap1 Complex

An X‐ray crystal structure of Kelch‐like ECH‐associated protein (Keap1) co‐crystallised with (1S,2R)‐2‐[(1S)‐1‐[(1,3‐dioxo‐2,3‐dihydro‐1H‐isoindol‐2‐yl)methyl]‐1,2,3,4‐tetrahydroisoquinolin‐2‐carbonyl]cyclohexane‐1‐carboxylic acid (compound (S,R,S)‐ 1 a ) was obtained. This X‐ray crystal structure provides breakthrough experimental evidence for the true binding mode of the hit compound (S,R,S)‐ 1 a , as the ligand orientation was found to differ from that of the initial docking model, which was available at the start of the project. Crystallographic elucidation of this binding mode helped to focus and drive the drug design process more effectively and efficiently.     

Cluster-grouping: from subgroup discovery to clustering

We introduce the problem of cluster-grouping and show that it can be considered a subtask in several important data mining tasks, such as subgroup discovery, mining correlated patterns, clustering and classification. The algorithm CG for solving cluster-grouping problems is then introduced, and it is incorporated as a component in several existing and novel algorithms for tackling subgroup discovery, clustering and classification. The resulting systems are empirically compared to state-of-the-art systems such as CN2, CBA, Ripper, Autoclass and CobWeb. The results indicate that the CG algorithm can be useful as a generic local pattern mining component in a wide variety of data mining and machine learning algorithms.     

Mathematical programs with complementarity constraints in the context of inverse optimal control for locomotion

In this paper an inverse optimal control problem in the form of a mathematical program with complementarity constraints (MPCC) is considered and numerical experiences are discussed. The inverse optimal control problem arises in the context of human navigation where the body is modelled as a dynamical system and it is assumed that the motions are optimally controlled with respect to an unknown cost function. The goal of the inversion is now to find a cost function within a given parametrized family of candidate cost functions such that the corresponding optimal motion minimizes the deviation from given data. MPCCs are known to be a challenging class of optimization problems typically violating all standard constraint qualifications (CQs). We show that under certain assumptions the resulting MPCC fulfills CQs for MPCCs being the basis for theory on MPCC optimality conditions and consequently for numerical solution techniques. Finally, numerical results are presented for the discretized inverse optimal control problem of locomotion using different solution techniques based on relaxation and lifting.     

Design and characterization of a current sensing platform for silicon-based nanopores with integrated tunneling nanoelectrodes

Solid-state nanopores have been gaining popularity in nano-biotechnology for single molecule detection, in particular for label-free high-throughput DNA sequencing. In order to address the improvement of the resolution/speed trade-off critical in this application, here we present a new two-channel current amplifier tailored for solid-state nanopore devices with integrated tunneling electrodes. The simultaneous detection of ion and tunneling currents provides enhanced molecule tracking capability. We describe the system design starting from a detailed noise analysis and device modeling, highlighting the detrimental role of the conductive silicon substrate and of all the stray capacitive couplings between the electrodes. Given the high input capacitance (0.1–1 nF), the input voltage noise has been carefully minimized choosing a discrete couple of matched low-noise JFETs as input stage, thus achieving an equivalent input noise of 1.5 nV/√Hz (corresponding to a current noise floor of 15 fA/√Hz at 10 kHz). Low-noise performance (11 pA rms noise integrated over a 75 kHz bandwidth) is preserved at a wide bandwidth (300 kHz) and high gain (100 MΩ) thanks to the adoption of an improved integrator/differentiator cascade topology. Furthermore, along with biasing networks and selectable low-pass filters, an AC-coupled channel providing additional gain has been introduced in order to “zoom” in the current signature during pore blockade events. Together with an experimental characterization of the system (and comparison with the noise performance of other instruments), the platform is validated by demonstrating the detection of λ-DNA with 20 nm pores.     

In vitro biotransformation of (R)- and (S)-thalidomide: application of circular dichroism spectroscopy to the stereochemical characterization of the hydroxylated metabolites

Circular dichroism (CD) spectroscopy was successfully used for the stereochemical characterization of the hydroxylated metabolites formed during the in vitro biotransformation of (R)- and (S)-thalidomide. Incubation extracts of the individual enantiomers were analyzed by HPLC on an achiral stationary phase combined with CD detection. The CD data of the almost enantiopure eluates of the metabolites were compared with the CD spectra quantum chemically calculated for the respective structures. The results allowed us a reliable determination of the absolute stereostructure for all of the metabolites. The chiral center of thalidomide is unaffected by the stereoselective biotransformation process. (3'R,5'R)-trans-5'-hydroxythalidomide is the main metabolite of (R)-thalidomide, which epimerizes spontaneously to give the more stable (3'S,5'R)-cis isomer. On the contrary, (S)-thalidomide is preferentially metabolized by hydroxylation in the phthalimide moiety, resulting in the formation of (S)-5-hydroxythalidomide.     

Two-color photorefractive effect in Mg-doped lithium niobate

The two-color photorefractive response of near stoichiometric lithium niobate (SLN) doped with Mg above a critical threshold has been investigated. Striking differences as compared with non Mg-doped material were observed: The intermediate level in the two-color writing process has approximately a two orders of magnitude longer lifetime in SLN:Mg than in nominally undoped SLN, the grating is written in a shallower level but can be fixed via a simple thermal process and complementary electron-hole gratings are formed. It is proposed that the Fe impurity level moves from below the small-polaron level in nonMgO-doped material to above it, resulting in the increased lifetime of the small polaron. These changes are associated with a shift of the Fe from a Li site to a Nb site. The two-color sensitivity is higher than in the absence of MgO but the dynamic range is much lower.     

Structurally related peptide agonist, partial agonist, and antagonist occupy a similar binding pocket within the cholecystokinin receptor. Rapid analysis using fluorescent photoaffinity labeling probes and capillary electrophoresis

The molecular basis of ligand binding to receptors provides important insights for drug development. Here, we explore domains of the cholecystokinin (CCK) receptor that are critical for ligand binding, using a novel series of fluorescent photolabile probes, receptor proteolysis, and rapid high resolution separation of peptide fragments by capillary electrophoresis. Each probe incorporated the same fluorophore and a photolabile p-benzoylphenylalanine at the amino terminus of the pharmacophoric domain (residue 24 of CCK-33) of CCK analogues representing full agonist, partial agonist, and antagonist of this receptor. Each was used to label the CCK receptor expressed on Chinese hamster ovary-CCKR cells, with the labeled domain then released by cyanogen bromide cleavage. Capillary electrophoresis with laser-induced fluorescence detection achieved an on-capillary mass sensitivity of 1.6 attomoles (10(-18) mol), with an excellent signal-to-noise ratio. Each of the biologically divergent, but structurally similar probes saturably and specifically labeled the same receptor domain, consistent with conservation of "docking" determinants. This had an apparent mass of 2.9 kDa, most consistent with the first extracellular loop domain. An additional probe having its site of covalent attachment in a different region of the probe (residue 29 of CCK-33) labeled a distinct receptor fragment with differential migration on capillary electrophoresis (third extracellular loop). Identification of the specific receptor residue(s) covalently linked to the amino-terminal probes must await further fragmentation and sequence analysis.