Functionalized graphene foam as electrode for improved electrochemical storage

We report on a non-covalent functionalization of graphene foam (GF) synthesized via chemical vapour deposition (CVD). The GF was treated with pyrene carboxylic acid (PCA) which acted as a source of oxygen and/or hydroxyl groups attached to the surface of the graphene foam for its electrochemical performance improvement. The modified graphene surface enabled a high pseudocapacitive effect on the GF. A specific capacitance of 133.3 F g^?1, power density ～ 145.3 kW kg^?1 and energy density ～ 4.7 W h kg^?1 were achieved based on the functionalized foam in 6 M KOH aqueous electrolyte. The results suggest that non-covalent functionalization might be an effective approach to overcome the restacking problem associated with graphene electrodes and also signify the importance of surface functionalities in graphene-based electrode materials.     

Dissecting the molecular recognition of dual lapatinib derivatives for EGFR/HER2

Abnormalities in the expression levels of EGFR/HER2 are found in many different types of human cancer; therefore, the design of dual inhibitors of EGFR/HER2 is a recognized anti-cancer strategy. Some lapatinib derivatives have been previously synthesized by modification at the methylsulfonylethylaminomethylfuryl group and biologically evaluated, demonstrating that the 2i compound shows potent inhibitory activity against EGFR/HER2-overexpressing cancer cells. In the present study, we explored the structural and energetic features that guide the molecular recognition of 2i using various EGFR/HER2 states. Molecular dynamics (MD) simulation with an MMPB(GB)SA approach was used to generate the inactive EGFR/HER2–ligand complexes. Our results corroborate that slight modification of lapatinib contributes to an increase in the affinity of the 2i compound for inactive EGFR/HER2 as compared with lapatinib compound, which is in accordance with experimental results. Comparison with previous results reveals that lapatinib and its derivative bind more strongly to the inactive than the intermediate active-inactive HER2 state. Principal component analysis allowed the observation that coupling of 2i to EGFR/HER2 is linked to a reduction in the conformational mobility, which may also contribute to the improvement in affinity observed for this compound as compared with lapatinib.     

热致型液晶聚合物的等温和非等温晶化动力学

利用等温和非等温方法详细研究了芳香族聚酯──热致型聚合物对，对’－联苯二甲酸二辛酯的结晶相和液晶相形成机理，并计算了相变过程中的表面自由能与温度系数，研究结果表明：从介晶相开始的结晶过程是二维异相成核、三维线性增长的，而从各向同性液相开始的液晶相形成过程则是二维异相成核二维线性增长的．对两个晶化过程的表面自由能的研究表明，该聚合物液晶相形成过程的相转变表面自由能比结晶过程小得多，预示了它将具有更大的晶化速率．研究还发现，该聚合物的液晶相形成过程具有比结晶过程大得多的温度敏感性．     

A silica-supported palladium-bis(oxazoline) complex efficiently catalyzes the synthesis of cinnamic acid derivatives via Mizoroki–Heck coupling reactions

A palladium(II)-bis(oxazoline) complex supported on silica (Pd-BOX-Si) was prepared, characterized and applied as a catalyst in Mizoroki–Heck cross-coupling reactions. The bis(oxazoline) (BOX) ligand has a hydroxyl group that can be anchored to 4-benzyl chloride-functionalized silica gel, followed by the coordination of palladium(II) chloride. The catalytic activity and the recyclability of Pd-BOX-Si have been investigated in the production of cinnamic acid derivatives via Mizoroki–Heck coupling reactions of acrylates with aryl halides; The Pd-BOX-Si catalyst demonstrated excellent catalytic activity. Characterization of the recycled Pd-BOX-Si catalyst revealed its good stability under the reaction conditions employed.     

Stereoselective syntheses of polyhydroxylated azepane derivatives from sugar-based epoxyamides. Part 1: synthesis from d-mannose

An approach to the synthesis of polyhydroxyazepane derivatives from sugar-based epoxyamides or epoxyalcohols, in which the total regioselective epoxide opening by nitrogen nucleophiles is the key step, is described. Thus, novel polyhydroxyazepane carboxamides and aminomethyl polyhydroxyazepanes, with potential pharmacological interest, are synthesized from diacetone d-mannose. Configurational assignments of the obtained products were determined.     

Asymptotics for Stieltjes polynomials,padé-type approximants,and Gauss-Kronrod quadrature

We study the asymptotic properties of Stieltjes polynomials outside the support of the measure as well as the asymptotic behaviour of their zeros. These properties are used to estimate the rate of convergence of sequences of rational functions, whose poles are partially fixed, which approximate Markovtype functions. An estimate for the speed of convergence of the Gauss-Kronrod quadrature formula in the case of analytic functions is also given.     

Parity-violating electron deuteron scattering and the proton's neutral weak axial vector form factor

We report on a new measurement of the parity-violating asymmetry in quasielastic electron scattering from the deuteron at backward angles at Q2=0.038 (GeV/c)2. This quantity provides a determination of the neutral weak axial vector form factor of the nucleon, which can potentially receive large electroweak corrections. The measured asymmetry A=-3.51+/-0.57 (stat)+/-0.58 (syst) ppm is consistent with theoretical predictions. We also report on updated results of the previous experiment at Q2=0.091 (GeV/c)2, which are also consistent with theoretical predictions.     

Stability-indicating high-performance liquid chromatographic assay for the determination of metoclopramide hydrochloride in pharmaceutical dosage forms

A simple, reliable and selective high-performance liquid chromatographic method for the determination of metoclopramide hydrochloride in pharmaceutical dosage forms has been developed and evaluated. The drug and the internal standard (phenobarbitone) were eluted from a 5-micron C8 reversed-phase column at ambient temperature with a mobile phase consisting of phosphate buffer (10 mM)-methanol-acetonitrile (50 + 28 + 22) adjusted to pH 4.8 with orthophosphoric acid. The mobile phase was pumped at a flow-rate of 1.5 ml min-1 and the effluent was monitored spectrophotometrically at 214 nm. The retention times of the internal standard and metoclopramide hydrochloride were 3.0 and 7.5 min, respectively. Quantification was achieved by measuring the peak-height ratio of the drug to the internal standard. A linear relationship was found over the range 1-10 micrograms ml-1. Within-day coefficients of variation (CVs) ranged from 0.50 to 1.70% and between-day CVs from 0.68 to 4.07% at three different concentrations. The developed procedure was compared with the current BP method for the assay of metoclopramide hydrochloride in tablets. The proposed method was also used to study the stability of metoclopramide hydrochloride.