A new third‐order calibration method with application for analysis of four‐way data arrays

A novel third‐order calibration algorithm, alternating weighted residue constraint quadrilinear decomposition (AWRCQLD) based on pseudo‐fully stretched matrix forms of quadrilinear model, was developed for the quantitative analysis of four‐way data arrays. The AWRCQLD algorithm is based on the new scheme that introduces four unique constraint parts to improve the quality of four‐way PARAFAC algorithm. The tested results demonstrated that the AWRCQLD algorithm has the advantage of faster convergence rate and being insensitive to the excess component number adopted in the model compared with four‐way PARAFAC. Moreover, simulated data and real experimental data were analyzed to explore the third‐order advantage over the second‐order counterpart. The results showed that third‐order calibration methods possess third‐order advantages which allow more inherent information to be obtained from four‐way data, so it can improve the resolving and quantitative capability in contrast with second‐order calibration especially in high collinear systems. Copyright © 2011 John Wiley & Sons, Ltd.     

A New Cardenolide and Two New Pregnane Glycosides from the Root Barks of Periploca sepium

A new cardenolide and two new pregnane glycosides, periplogenin 3‐[O‐β‐glucopyranosyl‐(1→4)‐β‐sarmentopyranoside] ( 1 ), (3β,20S)‐pregn‐5‐ene‐3,17,20‐triol 20‐[O‐β‐glucopyranosyl‐(1→6)‐O‐glucopyranosyl‐(1→4)‐β‐canaropyranoside] ( 2 ), and (3β,14β,17α)‐3,14,17‐trihydroxy‐21‐methoxypregn‐5‐en‐20‐one 3‐[O‐β‐oleandropyranosyl‐(1→4)‐O‐β‐cymaropyranosyl‐(1→4)‐β‐cymaropyranoside] ( 3 ), were isolated from the root barks of Periploca sepium Bge , together with seven related known compounds, periplogenin, xysmalogenin, (3β,20S)‐pregn‐5‐ene‐3,17,20‐triol, (3β,14β,17α)‐3,14,17‐trihydroxy‐21‐methoxypregn‐5‐en‐20‐one, (3β,20S)‐pregn‐5‐ene‐3,20‐diol 3‐β‐glucopyranoside 20‐β‐glucopyranoside, (3β,20S)‐pregn‐5‐ene‐3,20‐diol 3‐[O‐2‐O‐acetyl‐β‐digitalopyranosyl‐(1→4)‐β‐cymaropyranoside] 20‐[O‐β‐glucopyranosyl‐(1→6)‐O‐β‐glucopyranosyl‐(1→2)‐β‐digitalopyranoside], and (3β,20S)‐ pregn‐5‐ene‐3,20‐diol 20‐[O‐β‐glucopyranosyl‐(1→6)‐β‐glucopyranoside]. Their structures were elucidated on the basis of spectroscopic analyses.     

Monoterpenoids from the Fruit of Gardenia jasminoides

Eight new monoterpenoids, jasminoside J ( 1 ), jasminoside K ( 2 ), 6′‐O‐trans‐sinapoyljasminoside B ( 3 ), 6′‐O‐trans‐sinapoyljasminoside L ( 4 ), jasminosides M–P ( 5 – 8 ), together with three known analogues, jasminoside C ( 9 ), jasminol E ( 10 ), and sacranoside B ( 11 ), were isolated from the fruit of Gardenia jasminoides Ellis (Rubiaceae). Their structures were elucidated by spectral and chemical methods.     

Effect of chemical crosslinking on mechanical and electrical properties of ultrahigh-molecular-weight polyethylene-carbon fiber blends prepared by gelation/crystallization from solutions

In an attempt to improve the mechanical property of polyethylene composite at high temperature, crosslinking of ultrahigh-molecular-weight polyethylene (UHMWPE) and carbon fiber (CF) blends was carried out by using dicumyl peroxide (DCP). The specimens were prepared by gelation/crystallization from solutions. The effect of chemical crosslinking on mechanical and electrical properties of UHMWPE/CF blends with composition of 1/0, 1/0.25, and 1/1 (w/w) were investigated in detail. Electrical conductivity and thermal mechanical properties of the blends with the 1/1 composition were greatly improved by incorporation of enough content of CF and adequate crosslinking network formation. Surprisingly, the Young’s modulus of the 1/1 blend reached 20 GPa at room temperature (20 °C). On the other hand, heat treatment at 135 °C played an important role for obtaining a high PTC effect for the UHMWPE-CF blend in which the PTC intensity reached 10⁷.     

MimoDB: a new repository for mimotope data derived from phage display technology

Peptides selected from phage-displayed random peptide libraries are valuable in two aspects. On one hand, these peptides are candidates for new diagnostics, therapeutics and vaccines. On the other hand, they can be used to predict the networks or sites of protein-protein interactions. MimoDB, a new repository for these peptides, was developed, in which 10,716 peptides collected from 571 publications were grouped into 1,229 sets. Besides peptide sequences, other important information, such as the target, template, library and complex structure, was also included. MimoDB can be browsed and searched through a user-friendly web interface. For computational biologists, MimoDB can be used to derive customized data sets and benchmarks, which are useful for new algorithm development and tool evaluation. For experimental biologists, their results can be searched against the MimoDB database to exclude possible target-unrelated peptides. The MimoDB database is freely accessible at http://immunet.cn/mimodb/.     

Thermal stability of carbon nanotubes

Heat capacities of the carbon nanotubes (CNTs) with different sizes have been measured by modulated temperature differential scanning calorimetry (MDSC) and reported for the first time. The results indicated the values of C _p increased with shortening length of CNTs when the diameters of CNTs were between 60 and 100 nm. However, the values of C _p of CNTs were not affected by their diameter when the lengths of CNTs were 1–2 um, or not affected by the length of CNTs when their diameters were below 10 nm. The thermal stabilities of the CNTs have been studied by TG-DTG-DSC. The results of TG-DTG showed that thermal stabilities of CNTs were enhanced with their diameters increase. With lengths increase, the thermal stabilities of CNTs increased when their diameters were between 60 and 100 nm, but there is a slight decrease when their diameters were less than 60 nm. The further DSC analyses showed both released heat and T _onset increased with the increase of CNTs diameters, which confirms the consistency of the results from both TG-DTG and DSC on CNTs thermal stability.     

Synthesis and characterisation of polymeric materials consisting of {Fe2(CO)5}-unit and their relevance to the diiron sub-unit of [FeFe]-hydrogenase

By using "click" chemistry between a diazide and a diiron model complex armed with two alkynyl groups, two polymeric diiron complexes (Poly-Py and Poly-Ph) were prepared. The two polymeric complexes were investigated using infrared spectroscopy, scanning electron microscopy (SEM), transmission electron microscopy (TEM), thermal gravimetric analysis (TGA), M?ssbauer spectroscopy, and cyclic voltammetry (Poly-Py only, due to the insolubility of Poly-Ph). To probe the coordinating mode of the diiron units in the two polymeric complexes, two control complexes (3 and 4) were also synthesised using a monoazide. Complexes 3 and 4 were well characterised and the latter was further crystallographically analysed. It turns out that in both complexes (3 and 4) and the two polymeric diiron complexes, one of the two iron atoms in the diiron unit coordinates with one of the triazole N atoms. Our results revealed that both morphologies and properties of Poly-Py and Poly-Ph are significantly affected by the organic moiety of the diazide. Compared to the protonating behaviour of the complexes 3 and 4, Poly-Py exhibited proton resistance. In electrochemical reduction, potentials for the reduction of the diiron units in Poly-Py and hence its catalytic reduction of proton in acetic acid-DMF shifted by over 400 mV compared to those for complexes 3 and 4. It is likely that the polymeric nature of Poly-Py offers the diiron units a "protective" environment in an acidic medium and more positive reduction potential.     

Lippia origanoides chemotype differentiation based on essential oil GC‐MS and principal component analysis

Chromatographic (GC/flame ionization detection, GC/MS) and statistical analyses were applied to the study of essential oils and extracts obtained from flowers, leaves, and stems of Lippia origanoides plants, growing wild in different Colombian regions. Retention indices, mass spectra, and standard substances were used in the identification of 139 substances detected in these essential oils and extracts. Principal component analysis allowed L. origanoides classification into three chemotypes, characterized according to their essential oil major components. α‐ and β‐phellandrenes, p‐cymene, and limonene distinguished chemotype A; carvacrol and thymol were the distinctive major components of chemotypes B and C, respectively. Pinocembrin (5,7‐dihydroxyflavanone) was found in L. origanoides chemotype A supercritical fluid (CO₂) extract at a concentration of 0.83±0.03 mg/g of dry plant material, which makes this plant an interesting source of an important bioactive flavanone with diverse potential applications in cosmetic, food, and pharmaceutical products.     

图的伴随多项式的最小实根

本文讨论了含割点$u$的连通图G,其中$G-u$含路、圈或$D_{n}$分支时图$G$的伴随多项式的最小实根的变化情况.得到一些新的序关系,这推广了文[10-13]中有关图的伴随多项式最小根的一些结果.     

Experimental investigation of a modified Beckmann-Kirchhoff scattering theory for the in-process optical measurement of surface quality

An experimental investigation of a modified Beckmann-Kirchhoff scattering theory applied in an in-process optical measurement of surface quality is described. The proposed theory describes the scattered light intensity distribution from a surface with the additional layers, and can be employed to analyze the surface characteristics in in-process measurement. Based on light scattering principle and machine vision method, the surface roughness is extracted to testify the correction of the modified Beckmann-Kirchhoff scattering theory. The experimental apparatus consists of a collimated laser diode, a beam splitter, a screen, a measuring lens and a camera. Test specimens with different surface roughness are studied. The results obtained demonstrate the feasibility of in-process optical measurement of surface quality using the modified model.