A5087480048- Spectroscopy and Chemometric Analyses
- Analytical Chemistry and Chromatography
- Metabolomics and Mass Spectrometry Studies
- Advanced Chemical Sensor Technologies
- Traditional Chinese Medicine Analysis
- Computational Drug Discovery Methods
- Chromatography in Natural Products
- Water Quality Monitoring and Analysis
- Advanced Statistical Methods and Models
- Spectroscopy Techniques in Biomedical and Chemical Research
- Natural product bioactivities and synthesis
- Essential Oils and Antimicrobial Activity
- Fault Detection and Control Systems
- Gene expression and cancer classification
- Phytochemistry and Biological Activities
- Pharmacological Effects of Natural Compounds
- Mass Spectrometry Techniques and Applications
- Machine Learning in Bioinformatics
- Traditional Chinese Medicine Studies
- Electrochemical Analysis and Applications
- Analytical Methods in Pharmaceuticals
- Plant-based Medicinal Research
- Pesticide Residue Analysis and Safety
- Phytochemistry and biological activity of medicinal plants
- Nephrotoxicity and Medicinal Plants
Tianjin Infectious Diseases Hospital
2024
Central South University
2010-2021
Changsha University
1993-2016
Wuhan University
2004-2013
Hunan University
1996-2011
University of Bergen
1992-2011
Southwest University
2011
Xinjiang Uygur Autonomous Region Disease Prevention and Control Center
2011
Associated Press
2011
Hong Kong Polytechnic University
2009
Baseline drift always blurs or even swamps signals and deteriorates analytical results, particularly in multivariate analysis. It is necessary to correct baseline perform further data Simple modified polynomial fitting has been found be effective some extent. However, this method requires user intervention prone variability especially low signal-to-noise ratio environments. A novel algorithm named adaptive iteratively reweighted Penalized Least Squares (airPLS) that does not require any...
Abstract Summary: Sequence-derived structural and physiochemical features have been frequently used for analysing predicting structural, functional, expression interaction profiles of proteins peptides. To facilitate extensive studies peptides, we developed a freely available, open source python package called protein in (propy) calculating the widely physicochemical peptides from amino acid sequence. It computes five feature groups composed 13 features, including composition, dipeptide...
Abstract Fluorescent background is a major problem in recoding the Raman spectra of many samples, which swamps or obscures signals. The should be suppressed order to perform further qualitative quantitative analysis spectra. For this purpose, an intelligent background‐correction algorithm developed, simulates manual procedure intelligently. It basically consists three aspects: (1) accurate peak position detection spectrum by continuous wavelet transform (CWT) with Mexican Hat as mother...
Abstract Motivation: Molecular representation for small molecules has been routinely used in QSAR/SAR, virtual screening, database search, ranking, drug ADME/T prediction and other discovery processes. To facilitate extensive studies of molecules, we developed a freely available, open-source python package called chemoinformatics (ChemoPy) calculating the commonly structural physicochemical features. It computes 16 feature groups composed 19 descriptors that include 1135 descriptor values....
In this paper we present a new paradigm for designing hydrogelators that exhibit sharp phase transitions in response to series of disparate stimuli, including oxidation-reduction reactions (redox), guest-host interactions, and pH changes. We have serendipitously discovered ferrocenoyl phenylalanine (Fc-F) monomers aggregate water via rapid self-assembly mechanism form stable, multistimuli hydrogels. comparison other known mono- multiresponsive gelators, Fc-F is unique because its small size,...
Abstract A new simple and effective method named Monte Carlo cross validation (MCCV) has been introduced evaluated for selecting a model estimating the prediction ability of selected. Unlike leave‐one‐out procedure widely used in chemometrics cross‐validation (CV), developed this paper is an asymptotically consistent selection. It can avoid unnecessarily large therefore decreases risk overfitting model. The results obtained from simulation study showed that MCCV obviously larger probability...
In this study, a new optimization algorithm called the Variable Iterative Space Shrinkage Approach (VISSA) that is based on idea of model population analysis (MPA) proposed for variable selection. Unlike most existing methods selection, VISSA statistically evaluates performance space in each step optimization. Weighted binary matrix sampling (WBMS) to generate sub-models span subspace. Two rules are highlighted during procedure. First, shrinks step. Second, outperforms previous one. The...