An introduction to the 3-dimensional virtual library sites-navigation system at Capital Normal University Library

Capital Normal University Library(CNU Library) initiated the first practical application of a 3D virtual library sites-navigation system(an electronic kiosk version)among Chinese academic and research libraries in 2010. It was primarily based on the technologies of 3DsMax and Virtools. This paper concentrates on the discussion of the methods in creating the 3D model and in realizing the interaction among the data usage of the system. As a result, several important service functions of the system have been developed successfully so far for convenient public access. They include the functions of virtual-book searching, path navigation online, real-time message exchanges, and multi-media sharing, etc.

THEORY AND APPLICATION OF WAVELET ANALYSIS INSTRUMENT LIBRARY

Some new theory and algorithms on wavelet analysis are proposed, including continuous wavelet transform （CWT）, discrete wavelet transform （DWT）, wavelet package transform （WPT）, wavelet denosing and mother wavelet selection, etc. Using the component-based hierarchy mode, the platform for virtual instrument （VI） is constructed, and the functions such as data sampling, data analysis and data present, etc are provided. Subsequently, the wavelet analysis library is designed and developed. The library consists of expert system, experienced database, development platform and abundant wavelet analysis functional module, which together implement general and special wavelet analysis in the field of mechanical engineering, energy source, transportation and biomedicine, etc. Finally, the wavelet analysis virtual instrument library is applied to detect fault called engine knock. Experimental result indicates that the wavelet analysis virtual instrument library can efficiently solve the engineering problem such as detecting engine knock.

Chlorination pattern effect on thermodynamic parameters and environmental degradability for C_(10)-SCCPs: Quantum chemical calculation based on virtual combinational library

Short-chain chlorinated paraffins（SCCPs） are still controversial candidates for inclusion in the Stockholm Convention.The inherent mixture nature of SCCPs makes it rather difficult to explore their environmental behaviors.A virtual molecule library of 42,720 C10-SCCP congeners covering the full structure spectrum was constructed.We explored the structural effects on the thermodynamic parameters and environmental degradability of C10-SCCPs through semi-empirical quantum chemical calculations.The thermodynamic properties were acquired using the AM1 method,and frontier molecular orbital analysis was carried out to obtain the EHOMO,ELUMO and ELUMO-EHOMO for degradability exploration at the same level.The influence of the chlorination degree（NCl on the relative stability and environmental degradation was elucidated.A novel structural descriptor,μ,was proposed to measure the dispersion of the chlorine atoms within a molecule.There were significant correlations between thermodynamic values and NCl,while the reported NCl-dependent pollution profile of C10-SCCPs in environmental samples was basically consistent with the predicted order of formation stability of C10-SCCP congeners.In addition,isomers with largeμ showed higher relative stability than those with small μ.This could be further verified by the relationship between μ and the reactivity of nucleophilic substitution and · OH attack respectively.The C10-SCCP congeners with less Cl substitution and lower dispersion degree are susceptible to environmental degradation via nucleophilic substitution and hydroxyl radical attack,while direct photolysis of C10-SCCP congeners cannot readily occur due to the large ELUMO-EHOMO values.The chlorination effect and the conclusions were further checked with appropriate density functional theory（DFT） calculations.