δ-Tocomonoenol: A new vitamin E from kiwi (Actinidia chinensis) fruits

A new vitamin E, δ-tocomonoenol, has been isolated from Actinidia chinensis (kiwi) fruits. The new structure, 2,8-dimethyl-2-(4,8,12-trimethyltridec-11-enyl)chroman-6-ol, has been elucidated on the basis of EIMS, 1D, and 2D NMR spectral data. GC–MS analysis of peels and pulps of kiwi showed that the new compound, together with δ-tocopherol, is mainly present in the fruit peel, whilst α-tocopherol is present in a similar amount in both matrices. The compound was tested for its radical-scavenging and antioxidant capabilities, by measuring its ability to scavenge DPPH (2,2′-diphenyl-1-picrylhydrazyl radical) and anion superoxide radical, and inhibit the formation of methyl linoleate conjugated diene hydroperoxides and TBARS (thiobarbituric acid reactive species).     

Angiotensin-I converting enzyme inhibitory and antioxidant activities of protein hydrolysates from Phaseolus lunatus and Phaseolus vulgaris seeds

Phaseolus lunatus and Phaseolus vulgaris protein concentrates were hydrolyzed with the enzymes Alcalase^® and Flavourzyme^® at different reaction times, and the angiotensin-I converting enzyme (ACE-I) inhibitory activity, antioxidant properties and amino acid composition measured in the hydrolysates. With Alcalase^®, the highest degree of hydrolysis (DH) in P. lunatus was 37.94% at 45 min, and in P. vulgaris was 49.48% at 30 min. With Flavourzyme^®, the highest DH's were 22.03% and 26.05%, respectively, both at 90 min. ACE-I inhibitory activity in the Alcalase^® hydrolysates was IC₅₀ = 0.056 mg mL⁻¹ for P. lunatus at 90 min, and IC₅₀ = 0.061 mg mL⁻¹ for P. vulgaris at 60 min. In the Flavourzyme^® hydrolysates this activity was IC₅₀ = 0.0069 mg mL⁻¹ for P. lunatus at 90 min and IC₅₀ = 0.127 mg mL⁻¹ for P. vulgaris at 45 min. In SDS-PAGE, the hydrolysates exhibited low molecular weight bands. Antioxidant activity was 11.55 mmol L⁻¹ TEAC mg⁻¹ protein for P. lunatus with Flavourzyme^® at 90 min and 10.09 mmol L⁻¹ TEAC mg⁻¹ protein for P. vulgaris with Alcalase^® at 60 min. Amino acid composition exhibited high amino acid hydrophobic residues content.     

P(MMA/EA)/PEG-TPE半互穿网络聚合物的合成

为提高聚甲基丙烯酸甲酯/聚乙二醇聚氨酯(PMMA/PEG-TPE)半互穿网络聚合物的相容性,探索了在PEG-TPE中将甲基丙烯酸甲酯(MMA)与丙烯酸乙酯(EA)共聚形成P(MMA/EA)/PEG-TPE半互穿网络聚合物(S-IPN).红外光谱和核磁共振氢谱分析表明丙烯酸酯基本反应完全,PEG-TPE的单体转化率达到89%; 动态热机械分析(DMA)显示P(MMA/EA)/PEG-TPE的玻璃化转变温度峰较同组成比例的PMMA/PEG-TPE内移,甚至在组成比为10/90,30/70的体系中形成了单一的玻璃化转变峰,且扫描电镜(SEM)中表面形貌也变得较柔顺,表明体系的相容性和互穿程度进一步提高.     

First principles calculations of the electronic, dynamical, and thermodynamic properties of the rocksalt ScX (X = N, P, As, Sb)

We have investigated the electronic, dynamical, and thermodynamic properties of the rocksalt ScX (X = N, P, As, Sb) using a plane-wave pseudopotential method within the generalized gradient approximation in the frame of density functional perturbation theory. The calculated lattice constants are found to differ by less than 0.56% from the available experimental values. These materials have the indirect Γ–X band gaps and a wide and direct band gap at the X-point in band structure, which are closer to experimental results than the previous calculations. A linear-response approach is used to calculate the phonon frequencies, the phonon density of states and LO–TO splitting. The obtained phonon frequencies at the zone-center (Γ-point) for the Raman-active and infrared-active modes are analyzed. We also calculate the thermodynamic functions using the phonon density of states, and the calculated values are in nearly perfect agreement with experimental data.     

Measuring and modelling residual stresses in butt welded P91 steel pipe including effects of phase transformations

Abstract

Residual stresses in a circumferentially butt welded steel pipe have been measured and numerically predicted. The pipe, containing the circumferential weld, has an outer diameter of 290 mm and a wall thickness of 55 mm, typical of components in power generation plants. An axisymmetric thermomechanical finite element (FE) simulation has been performed to obtain the residual stress field induced by the fusion welding of the pipe, taking solid state phase transformation effects into account and using temperature dependent material property data. Residual stresses have been measured using the X-ray diffraction and deep hole drilling techniques. Good correlation has been demonstrated with the predictions of the FE model. The paper demonstrates that a mixed experimental and numerical approach is useful for determining the residual stress distribution in welded joints.     

Chemical formation,characterization and properties of polycarbazole

Polycarbazole (PCz) was synthesized by chemical polymerization of carbazole in acetonitrile medium using ammonium persulfate as oxidant. The selection of solvent, concentration of the monomer, composition of the solvent, polymerization time, temperature, and pH were optimized to obtain better quality and yield of the polycarbazole. The synthesized polycarbazole was characterized by various techniques such as UV–Visible, FTIR, ¹H‐NMR, ¹³C‐NMR, COSY, NOESY, and XRD spectroscopy. The solubility of the polycarbazole was tested in various solvents. The thermodynamic stability of the polycarbazole was examined by DSC and TGA‐DTA analysis. © 2009 Wiley Periodicals, Inc. J Appl Polym Sci, 2010     

Multi‐phosphorylation of the Intrinsically Disordered Unique Domain of c‐Src Studied by In‐Cell and Real‐Time NMR Spectroscopy

Intrinsically disordered regions (IDRs) are preferred sites for post‐translational modifications essential for regulating protein function. The enhanced local mobility of IDRs facilitates their observation by NMR spectroscopy in vivo. Phosphorylation events can occur at multiple sites and respond dynamically to changes in kinase–phosphatase networks. Here we used real‐time NMR spectroscopy to study the effect of kinases and phosphatases present in Xenopus oocytes and egg extracts on the phosphorylation state of the “unique domain” of c‐Src. We followed the phosphorylation of S17 in oocytes, and of S17, S69, and S75 in egg extracts by NMR spectroscopy, MS, and western blotting. Addition of specific kinase inhibitors showed that S75 and S69 are phosphorylated by CDKs (cyclin‐dependent kinases) differently from Cdk1. Moreover, although PKA (cAMP‐dependent protein kinase) can phosphorylate S17 in vitro, this was not the major S17 kinase in egg extracts. Changes in PKA activity affected the phosphorylation levels of CDK‐dependent sites, thus suggesting indirect effects of kinase–phosphatase networks. This study provides a proof‐of‐concept of the use of real‐time in vivo NMR spectroscopy to characterize kinase/phosphatase effects on intrinsically disordered regulatory domains.     

Quantitative analysis for reaction between epoxidized natural rubber and poly (L‐lactide) through 1H‐NMR spectroscopy

Reaction between epoxidized natural rubber and poly(L ‐lactide) (PLLA) was investigated quantitatively in terms of conversion of the epoxidized natural rubber. The epoxidized natural rubber was prepared by epoxidation of high ammonia natural rubber (HA‐NR) or deproteinized natural rubber (DPNR) with peracetic acid followed by depolymerization with ammonium persulfate. The resulting liquid HA‐NR having epoxy group (LENR) or liquid DPNR having epoxy group (LEDPNR) were subjected to heating at 473 K for 20 min, after blending with PLLA. The products were characterized through morphology observation, DSC measurement, and ¹H‐NMR spectroscopy. The conversions of the rubbers were estimated from intensity ratio of signals in ¹H‐NMR spectrum for the products after removing unreacted rubber with toluene. Difference in the estimated conversion between the LENR/PLLA and LEDPNR/PLLA blends was interpreted in relation to proteins present in the rubber. © 2009 Wiley Periodicals, Inc. J Appl Polym Sci, 2010     

Li nuclear magnetic resonance studies of hard carbon and graphite/hard carbon hybrid anode for Li ion battery

The hard carbon is attractive for the Li ion battery because of its higher capacity than the theoretical value of 372 Ah kg⁻¹ based on the composition of stage 1 Li-intercalated graphite, LiC₆. However, since the Li-doping reaction occurs at the potential of around 0 V versus Li/Li⁺ reference electrode, it is often pointed out the possibility of Li metal deposition on the surface of anode. From the viewpoint of the safety, it may be a moot point. In the present study, ⁷Li NMR measurement was performed to estimate the degree of Li metal deposition on the surface of graphite and hard carbon anode. As a result, it is clarified that the Li metal deposition does not occur up to 110% over-discharge of the reversible capacity of hard carbon, whereas in the case of graphite anode, Li metal deposition occurred above 105% over-discharge of the capacity. From the ⁷Li NMR spectroscopy, the safety limit of hard carbon is rather superior to that of graphite.