Classification of Cm I energy levels using PCA-BPN and PCA-NLM

Two pattern recognition (PR) techniques, principal component analysis-back propagation networks (PCA-BPN) and principal component analysis-nonlinear mapping (PCA-NLM), have been applied to the problem of classifying unknown energy levels of the first spectrum of curium (Cm I) according to their configurations. In comparison, with those reported by early PR techniques and counter propagation neural networks (CPN's), PCA-BPN has been demonstrated to possess much more prediction accuracy as to its performance on test sets. Obtained results further confirm the most previous assignments with these energy levels given by some early PR techniques and CPN. Moreover, the obtained results definitely reassign some energy levels' electronic configurations which were ambiguously conjectured in previous work.     

EDTA-甘氨酸联合法制备LaAlO3基电解质材料及其电性能

采用EDTA-甘氨酸联合法(EGCP)合成具有钙钛矿结构的La0.90Sr0.10Al0.97Mg0.03O3-δ(LSAM)粉体。采用TG-DSC,XRD,ICP-OES和TEM对粉体进行表征。在750℃下,无定形结构的粉末直接转化为钙钛矿结构的LSAM粉体。经1000℃煅烧3 h后的粉体,团聚程度低,粒径分布均匀,平均粒径约为77 nm,具有良好的烧结性能。通过SEM对材料的显微结构进行观察并分析其对电性能的影响。采用直流四电极法在空气中测定材料的总电导率,在800℃时,EGCP合成的LSAM电解质的总电导率为1.50×10-2S.cm-1,比固相法的高47.1%。     

Diffraction effects in planar wave-sphere interaction

Using the classical Mie scattering theory,we compute the energy density of an arbitrary partial wave(e.g.,the nth order) and then determine that the interaction between an incident planar wave and a sphere of radius a is the one between the sphere and those partial waves the order of which satisfies n≤ka.We also provide a simple expression to describe the diffracted wave in which the angle-dependent functions are employed.The difference between the accurate and the approximate expressions is demonstrated by numerical calculation.     

Effects of Thieno[3,2-b]thiophene Number on Narrow-Bandgap Fused-Ring Electron Acceptors

Chinese Journal of Polymer Science - We synthesize and compare four near-infrared absorbing fused-ring electron acceptors named as nTTIC (n=2, 3, 4, and 5), based on different number of...     

Identification of urinary metabolites of imperatorin with a single run on an LC/Triple TOF system based on multiple mass defect filter data acquisition and multiple data mining techniques

The detection of drug metabolites, especially for minor metabolites, continues to be a challenge because of the complexity of biological samples. Imperatorin (IMP) is an active natural furocoumarin component originating from many traditional Chinese herbal medicines and is expected to be pursued as a new vasorelaxant agent. In the present study, a generic and efficient approach was developed for the in vivo screening and identification of IMP metabolites using liquid chromatography-Triple TOF mass spectrometry. In this approach, a novel on-line data acquisition method mutiple mass defect filter (MMDF) combined with dynamic background subtraction was developed to trace all probable urinary metabolites of IMP. Comparing with the traditionally intensity-dependent data acquisition method, MMDF method could give the information of low-level metabolites masked by background noise and endogenous components. Thus, the minor metabolites in complex biological matrices could be detected. Then, the sensitive and specific multiple data-mining techniques extracted ion chromatography, mass defect filter, product ion filter, and neutral loss filter were used for the discovery of IMP metabolites. Based on the proposed strategy, 44 phase I and 7 phase II metabolites were identified in rat urine after oral administration of IMP. The results indicated that oxidization was the main metabolic pathway and that different oxidized substituent positions had a significant influence on the fragmentation of the metabolites. Two types of characteristic ions at m/z 203 and 219 can be observed in the MS/MS spectra. This is the first study of IMP metabolism in vivo. The interpretation of the MS/MS spectra of these metabolites and the proposed metabolite pathway provide essential data for further pharmacological studies of other linear-type furocoumarins.