Chemometrics-based Spectroscopy for Pharmaceutical and Biomedical Analysis

Sampul Depan
Hoang Vu Dang, Federico Marini
Frontiers Media SA, 17 Apr 2019 - 177 halaman
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†Chemometrics is the application of mathematics and statistics to chemical data in order to design or select optimal experimental procedures, to provide maximum relevant information, and to obtain knowledge about systems under study. This chemical discipline has constantly developed to become a mature field of Analytical Chemistry after its inception in the 1970s. The utility and versatility of chemometric techniques enable spectroscopists to perform multidimensional classification and/or calibration of spectral data that make identification and quantification of analytes in complex mixtures possible.Wavelets are mathematical functions that cut up data into different frequency components, and then study each component with a resolution matched to its scale. They are now being adapted for a vast number of signal processing due to their unprecedented success in terms of asymptotic optimality, spatial adaptivity and computational efficiency. In analytical chemistry, they have increasingly shown great applicability and have been preferred over existing signal processing algorithms in noise removal, resolution enhancement, data compression and chemometrics modeling in chemical studies.The aim of this Research Topic is to present state-of-the-art applications of chemometrics, in the field of spectroscopy, with special attention to the use of wavelet transform. Both reviews and original research articles on pharmaceutical and biomedical analysis are welcome in the specialty section Analytical Chemistry.

 

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Chemometricsbased Spectroscopy for Pharmaceutical and Biomedical Analysis
5
Spectroscopic and Molecular Docking Approach
7
Discovery of the Linear Region of Near Infrared Diffuse Reflectance Spectra Using the KubelkaMunk Theory
16
Nearest CorrelationBased Input Variable Weighting for SoftSensor Design
28
Compilation of a NearInfrared Library for Construction of Quantitative Models of Oral Dosage Forms for Amoxicillin and Potassium Clavulanate
36
LowCytotoxicity Fluorescent Probes Based on Anthracene Derivatives for Hydrogen Sulfide Detection
48
MicroNIRChemometrics Assessement of Occupational Exposure to Hydroxyurea
56
An Exploratory Study
65
RealTime Analysis of Potassium in Infant Formula Powder by DataDriven LaserInduced Breakdown Spectroscopy
90
Essentials of Aquaphotomics and Its Chemometrics Approaches
98
Raman Spectroscopy for Pharmaceutical Quantitative Analysis by LowRank Estimation
123
Accuracy Improvement of Inline NearInfrared Spectroscopic Moisture Monitoring in a Fluidized Bed Drying Process
129
Eliminating Nonlinear Raman Shift Displacement Between Spectrometers via Moving Window Fast Fourier Transform CrossCorrelation
139
Wavelet TransformBased UV Spectroscopy for Pharmaceutical Analysis
150
Chemometric Methods for SpectroscopyBased Pharmaceutical Analysis
162
Back Cover
176

Pharmaceutical Analysis Model Robustness From BaggingPLS and PLS Using Systematic Tracking Mapping
73
Fusion of MALDI Spectrometric Imaging and Raman Spectroscopic Data for the Analysis of Biological Samples
80

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