At Hunan University we consider the involvement with CPACT as a super opportunity to apply our chemometric methods to complex industrial problems as well as develop research in areas of data analysis and modelling to meet the ever-growing industrial needs in spectroscopic process analytical technologies.
Professor Zengping Chen
1. Research team
• Professor Ruqin Yu
• Professor Hailong Wu
• Professor Zengping Chen
2. Research interests:
The State Key Laboratory of Chemo/Biosensing and Chemometrics (CBSC) was formed at Hunan University in 2001. It brings together analytical chemists, physical scientists, biochemists and chemometricians to research solutions to generic problems in the fields of on-line monitoring of chemical and pharmaceutical processes, biochemical & biomedical analysis and environmental monitoring. The Chemometrics group in the CBSC has over 20 years of research expertise in Chemometrics and has developed a number of effective methods for the analysis of complex data sets.
2.1 Fundamental research programmes
- Process analytical technology and compensating for nonlinear effects in process spectroscopic data for improved process monitoring and control;
- Novel spectroscopic quantitative models and theories for complex systems;
- Novel calibration model maintenance methods;
- Multi-way data analysis (including the resolution of two-way and three way data arrays produced by infrared spectroscopy, HPLC-DAD, GC-MS, X-ray diffraction spectroscopy and fluorescence spectrophotometer);
5. Advanced chemometric software.
2.2 Selected Achievements
- Developed the Spectral Shape Deformation (SSD) quantitative theory for spectroscopic quantitative analysis of complex systems. In contrast to conventional spectroscopic calibration methods based on absolute spectral intensities, SSD quantifies the analytes of interest from the variations in spectral shape rather than spectral intensities. This unique feature endows SSD with the capability to deal with many complex problems such as mitigating the influence of multiplicative light scattering effects of both powder and suspension samples on quantitative accuracy and precision of NIR spectroscopy, correcting the confounding effects caused by variations in the particle size, compactness, overall solid content, and homogeneity of particulate phase on Raman intensities, accounting for the effects of the scattering and absorption on fluorescence measurements, enhancing the predictive accuracy and precision of quantitative SERS assays, and solving the problems of signal instability and variation in the overall sensitivity of LC-MS over time;
- Developed several advanced methods (e.g., Systematic Prediction Error Correction-SPEC, Loading Space Standardization-LSS, Spectral Space Transformation-SST) for the maintenance of the predictive abilities of multivariate calibration models when spectral measurements are subject to the changes and variations;
- Proposed a new methodology termed Smoothed Principal Component Analysis (SPCA) to improve the sensitivity of X-ray diffraction spectroscopy for the in-situ determination and monitoring of crystal morphology. SPCA can significantly improve the signal to noise ratio and hence lower the detection limits thereby providing an important contribution to crystallization process performance monitoring;
- Designed a series of novel second-order linear calibration methods (ATLD, SWATLD, etc.) for the analysis of three-way data arrays produced by HPLC-DAD, GC-MS, LC-MS and excitation-emission fluorescence spectrophotometer.
- Near Infrared Spectroscopy
• Raman Spectroscopy
- Advanced Calibration Methods for Multiphase Systems
- Novel Calibration Transfer Methods