Stereoselective routes to substituted β-amino carbonyl compounds via heterodiene [4π+2π] cycloadditions of auxiliary-based C2 symmetric ketene acetals

Heterodiene [4π+2π] cycloadditions of (S,S)-4,5-diaryl-2-methylene-1,3-dioxolanes 1 to a series of β-amido-α,β-unsaturated carbonyl compounds are diastereoselective (d.r.≥4:1). The products can be purified by trituration or crystallisation and hydrolysed with acid to generate the corresponding β-amido carbonyl compounds, the overall sequence effecting an auxiliary-based enantioselective conjugate addition of an acetate enolate, leading to β-aminoacid derivatives.     

Measurement error and the Albert-Loewer problem

Modal interpretations of QM have the welcome consequence that unitarily evolved post-measurement states which superpose eigenstates of the anticipated pointer observable can represent devices registering determinate measurement outcomes. Albert and Loewer have claimed that modal interpretations cannot account for the outcomes of error-prone measurements. But Albert, Loewer, and their commentators have not always appreciated the relation of measurement error to the Albert-Loewer problem. I argue that measurement error is neither necessary nor sufficient to generate the Albert-Loewer problem, and use the Araki-Yanase theorem to show that measurements of a large class of observables, if they are error-free, are beset by the Albert-Loewer problem.     

Measurement: It ain't over till it's over

Elby (1993) has raised certain problems that appear to be devastating for modal interpretations of quantum mechanics, but do not arise for Bohm's pilot wave theory. Here I show that the features Elby identifies as objectionable in my version of the modal interpretation have their counterpart in Bohm's theory. To the extent that Bohm's theory works as a no collapse solution to the measurement problem - and I think it does - so does my modal interpretation.     

On a New Formulation of the Real-Time Propagator

The development of theoretical tools for the study of dynamical phenomena of many-particle systems on the quantum level is a fundamental challenge since many decades. A lot of efforts have been invested on Feynman's path integral approach, however, no computationally tractable method for investigating realistic systems could be developed up to now. In this paper we propose an alternative representation of the real-time many-body evolution operator formulated within the framework of the auxiliary field formalism. Our goal is to derive a new auxiliary field functional integral representation, in which the large oscillations of the functional integrand are reduced, in order to render the auxiliary field approach more attractive for real-time computation. This objective is attained using a generalized version of the method of Gaussian equivalent representation of Efimov and Ganbold [Phys. Stat. Sol. 168 (1991) 165], which eliminates the low-order fluctuations of the auxiliary field from the interaction functional.     

On the calculation of arbitrary multielectron molecular integrals over Slater‐type orbitals using recurrence relations for overlap integrals. III. Auxiliary functions \documentclass{article}\pagestyle{empty}\begin{document}$Q_{nn'}^{q}$\end{document} and \documentclass{article}\pagestyle{empty}\begin{document}$G_{-nn'}^{q}$\end{document}

The auxiliary functions $Q_{nn'}^{q}(p,pt)$ and $G_{-nn'}^{q}(p_{a},p,pt)$ which are used in our previous paper [Guseinov, I. I.; Mamedov, B. A. Int J Quantum Chem 2001, 81, 117] for the computation of multicenter electron‐repulsion integrals over Slater‐type orbitals (STOs) are discussed in detail, and the method is given for their numerical computation. The present method is suitable for all values of the parameters p_a, p, and pt. Three‐ and four‐center electron‐repulsion integrals are calculated for extremely large quantum numbers using relations for auxiliary functions obtained in this paper. © 2001 John Wiley & Sons, Inc. Int J Quantum Chem, 2001     

A study for quality evaluation of Taxilli Herba from different hosts based on fingerprint-activity relationship modeling and multivariate statistical analysis

In this study, a fingerprint-activity relationship modeling between chemical fingerprints and antirheumatic activity was established, and multivariate statistical analysis was used to evaluate the quality of Taxilli Herba (TH) from different hosts. Characteristic fingerprints of 20 batches of TH samples were generated by high-performance liquid chromatography coupled with triple quadrupole-time of flight tandem mass spectrometry (HPLC-Triple TOF-MS/MS), and the similarity analysis was calculated based on thirteen common characteristic peaks by hierarchical clustering analysis (HCA). Subsequently, nine efficacy markers were discovered by combining fingerprints and antirheumatic activity through grey correlation analysis (GCA) and bivariate correlation analysis (BCA). Meanwhile, the content of 5 constituents in 9 markers was determined by high-performance liquid chromatography coupled with triple quadrupole-linear ion trap tandem mass spectrometry (HPLC-QTRAP-MS/MS). The comprehensive quality of TH was assessed using multivariate statistical analysis, including principal components analysis (PCA) and technique for order preference by similarity to ideal solution (TOPSIS). The results showed that a high dose of TH extract could markedly ameliorate arthritis damage compared to other doses, with flavonoids playing an important role in the antirheumatic activity. The comprehensive quality of samples from Morus alba L. (SS) was superior to those from Liquidambar formosana Hance (FXS). The present study will demonstrate the markers associated with efficacy, and provide an applicable strategy for more comprehensive quality control and evaluation of TH.     

Synthesis of chiral N-protected 1,2-dihydro-quinoline-2-carbonitrile and 1,2-dihydro-isoquinoline-1-carbonitrile via an asymmetric Reissert reaction

Addition of cyanide ion to chiral N-acyl-quinolinium and N-acyl-isoquinolinium salts led selectively to 1,2-addition products. Removal of the chiral auxiliary affords the title compounds in pure enantiomeric form.     

高次非球面光路计算中的两个重要问题

提出在高次非球面的光路计算中运用变曲率的“辅助球面”概念,对某些文献在此方面存在的问题进行分析,提出迭代逼近精度的数值判据及浮动处理方法。     

Complementary kinetic and thermodynamic resolution of a chiral biaryl axis

The condensation of 2′-formylbiphenyl-2-carboxylic acid 4 with (S)-valinol proceeds under kinetic control to give a major product, (4bR,7S,aS)-6,7-dihydro-7-isopropyldibenz[c,e]oxazolo[3,2-a]azepin-9(4bH)-one 6a (84%), in which the biaryl axis has the (S)-configuration. Heating 6a at 140°C with a catalytic amount of acid gives rise to an equilibrium dominated by the diastereoisomeric (4bS,7S)-lactam 6b (6a:6b ratio 27:73), in which the biaryl unit has the (R)-configuration. The structures of both lactams were established by X-ray crystallography; no other diastereoisomers were obtained.     

用频域法识别桥梁的模态参数

根据大型土木结构环境振动的特点,利用频域法对桥梁的模态参数进行识别,详细阐述了峰值检测法和复模态指示函数法识别桥梁模态参数的理论依据和实现方法,对比了两种方法各自的特点.利用香港汀九大桥的实测数据,辨识出了桥梁的模态参数,最后的辨识结果表明该方法在具体的工程应用中的有效性.