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The article contains sections titled: 1. Introduction 1.1. Comparison with Other Spectroscopic Methods 1.2. Development and Uses 2. Theoretical Principles 2.1. Electronic States and Orbitals 2.2. Interaction Between Radiation and Matter 2.2.1. Dispersion 2.2.2. Absorption 2.2.3. Scattering 2.2.4. Reflection 2.2.5. Band Intensity 2.3. The Lambert–BeerLaw 2.3.1. Definitions 2.3.2. Deviations from the Lambert ‐ Beer Law 2.4. Photophysics 2.4.1. Energy Level Diagram 2.4.2. Deactivation Processes 2.4.3. Transition Probability and Fine Structure of the Bands 2.5. Chromophores 2.6. Optical Rotatory Dispersion and Circular Dichroism 2.6.1. Generation of Polarized Radiation 2.6.2. Interaction with Polarized Radiation 2.6.3. Optical Rotatory Dispersion 2.6.4. Circular Dichroism and the Cotton Effect 2.6.5. Magnetooptical Effects 3. Optical Components and Spectrometers 3.1. Principles of Spectrometer Construction 3.1.1. Sequential Measurement of Absorption 3.1.2. Multiplex Methods in Absorption Spectroscopy 3.2. Light Sources 3.2.1. Line Sources 3.2.2. Sources of Continuous Radiation 3.2.3. Lasers 3.3. Selection of Wavelengths 3.3.1. Prism Monochromators 3.3.2. Grating Monochromators 3.3.3. Electro‐Acoustic and Opto‐Acoustic Wavelength Generation 3.4. Polarizers and Analyzers 3.5. Sample Compartments and Cells 3.5.1. Closed Compartments 3.5.2. Modular Arrangements 3.5.3. Open Compartments 3.6. Detectors 3.7. Optical Paths for Special Measuring Requirements 3.7.1. Fluorescence Measurement 3.7.2. Measuring Equipment for Polarimetry, ORD, and CD 3.7.3. Reflection Measurement 3.7.4. Ellipsometry 3.8. Effect of Equipment Parameters 3.9. Connection to Electronic Systems and Computers 4. Uses of UV ‐ VIS Spectroscopy in Absorption, Fluorescence, and Reflection 4.1. Identification of Substances and Determination of Structures 4.2. Quantitative Analysis 4.2.1. Determination of Concentration by Calibration Curves 4.2.2. Classical Multicomponent Analysis 4.2.3. Multivariate Data Analysis 4.2.4. Use in Chromatography 4.3. Fluorimetry 4.3.1. Inner Filter Effects 4.3.2. Fluorescene and Scattering 4.3.3. Excitation Spectra 4.3.4. Applications 4.4. Reflectometry 4.4.1. Diffuse Reflection 4.4.2. Color Measurement 4.4.3. Regular Reflection 4.4.4. Determination of Film Thickness 4.4.5. Ellipsometry 4.5. Resonance Methods 4.5.1. SurfacePlasmon Resonance 4.5.2. Grating Couplers 4.5.3. Other Evanescent Methods 4.5.4. Interferometric Methods 4.6. On‐Line Process Control 4.6.1. Process Analysis 4.6.2. Measurement of Film Thicknesses 4.6.3. Optical Sensors 4.7. Measuring Methods Based on Deviations from the Lambert – Beer Law 5. Special Methods 5.1. Derivative Spectroscopy 5.2. Dual‐Wavelength Spectroscopy 5.3. Scattering 5.3.1. Turbidimetry 5.3.2. Nephelometry 5.3.3. Photon Correlation Spectroscopy 5.4. Luminescence, Excitation, and Depolarization Spectroscopy, and Measurement of Lifetimes 5.5. Polarimetry 5.5.1. Sugar Analysis 5.5.2. Cellulose Determination 5.5.3. Stereochemical StructuralAnalysis 5.5.4. Use of Optical Activity Induced by a Magnetic Field 5.6. Photoacoustic Spectroscopy (PAS)
The article contains sections titled: 1. Introduction 1.1. Comparison with Other Spectroscopic Methods 1.2. Development and Uses 2. Theoretical Principles 2.1. Electronic States and Orbitals 2.2. Interaction Between Radiation and Matter 2.2.1. Dispersion 2.2.2. Absorption 2.2.3. Scattering 2.2.4. Reflection 2.2.5. Band Intensity 2.3. The Lambert–BeerLaw 2.3.1. Definitions 2.3.2. Deviations from the Lambert ‐ Beer Law 2.4. Photophysics 2.4.1. Energy Level Diagram 2.4.2. Deactivation Processes 2.4.3. Transition Probability and Fine Structure of the Bands 2.5. Chromophores 2.6. Optical Rotatory Dispersion and Circular Dichroism 2.6.1. Generation of Polarized Radiation 2.6.2. Interaction with Polarized Radiation 2.6.3. Optical Rotatory Dispersion 2.6.4. Circular Dichroism and the Cotton Effect 2.6.5. Magnetooptical Effects 3. Optical Components and Spectrometers 3.1. Principles of Spectrometer Construction 3.1.1. Sequential Measurement of Absorption 3.1.2. Multiplex Methods in Absorption Spectroscopy 3.2. Light Sources 3.2.1. Line Sources 3.2.2. Sources of Continuous Radiation 3.2.3. Lasers 3.3. Selection of Wavelengths 3.3.1. Prism Monochromators 3.3.2. Grating Monochromators 3.3.3. Electro‐Acoustic and Opto‐Acoustic Wavelength Generation 3.4. Polarizers and Analyzers 3.5. Sample Compartments and Cells 3.5.1. Closed Compartments 3.5.2. Modular Arrangements 3.5.3. Open Compartments 3.6. Detectors 3.7. Optical Paths for Special Measuring Requirements 3.7.1. Fluorescence Measurement 3.7.2. Measuring Equipment for Polarimetry, ORD, and CD 3.7.3. Reflection Measurement 3.7.4. Ellipsometry 3.8. Effect of Equipment Parameters 3.9. Connection to Electronic Systems and Computers 4. Uses of UV ‐ VIS Spectroscopy in Absorption, Fluorescence, and Reflection 4.1. Identification of Substances and Determination of Structures 4.2. Quantitative Analysis 4.2.1. Determination of Concentration by Calibration Curves 4.2.2. Classical Multicomponent Analysis 4.2.3. Multivariate Data Analysis 4.2.4. Use in Chromatography 4.3. Fluorimetry 4.3.1. Inner Filter Effects 4.3.2. Fluorescene and Scattering 4.3.3. Excitation Spectra 4.3.4. Applications 4.4. Reflectometry 4.4.1. Diffuse Reflection 4.4.2. Color Measurement 4.4.3. Regular Reflection 4.4.4. Determination of Film Thickness 4.4.5. Ellipsometry 4.5. Resonance Methods 4.5.1. SurfacePlasmon Resonance 4.5.2. Grating Couplers 4.5.3. Other Evanescent Methods 4.5.4. Interferometric Methods 4.6. On‐Line Process Control 4.6.1. Process Analysis 4.6.2. Measurement of Film Thicknesses 4.6.3. Optical Sensors 4.7. Measuring Methods Based on Deviations from the Lambert – Beer Law 5. Special Methods 5.1. Derivative Spectroscopy 5.2. Dual‐Wavelength Spectroscopy 5.3. Scattering 5.3.1. Turbidimetry 5.3.2. Nephelometry 5.3.3. Photon Correlation Spectroscopy 5.4. Luminescence, Excitation, and Depolarization Spectroscopy, and Measurement of Lifetimes 5.5. Polarimetry 5.5.1. Sugar Analysis 5.5.2. Cellulose Determination 5.5.3. Stereochemical StructuralAnalysis 5.5.4. Use of Optical Activity Induced by a Magnetic Field 5.6. Photoacoustic Spectroscopy (PAS)
Abstract. DNA microarrays is a technology that can be used to diagnose cancer and other diseases. To automate the analysis of such data, pattern recognition and machine learning algorithms can be applied. However, the curse of dimensionality is unavoidable: very few samples to train, and many attributes in each sample. As the predictive accuracy of supervised classifiers decays with irrelevant and redundant features, the necessity of a dimensionality reduction process is essential. The main idea is to retain only the genes that are the most influential in the classification of the disease. In this paper, a new methodology based on Principal Component Analysis and Logistics Regression is proposed. Our method enables the selection of particular genes that are relevant for classification. Experiments were run using eight different classifiers on two benchmark datasets: Leukemia and Lymphoma. The results show that our method not only reduces the number of required attributes, but also increase the classification accuracy in more than 10% in all the cases we tested.
MotivationWhen we were asked for help with high-level microarray data analysis (on Affymetrix HGU-133A microarray), we faced the problem of selecting an appropriate method. We wanted to select a method that would yield "the best result" (detected as many "really" differentially expressed genes (DEGs) as possible, without false positives and false negatives). However, life scientists could not help us – they use their "favorite" method without special argumentation. We also did not find any norm or recommendation. Therefore, we decided to examine it for our own purpose. We considered whether the results obtained using different methods of high-level microarray data analyses – Significant Analysis of Microarrays, Rank Products, Bland-Altman, Mann-Whitney test, T test and the Linear Models for Microarray Data – would be in agreement. Initially, we conducted a comparative analysis of the results on eight real data sets from microarray experiments (from the Array Express database). The results were surprising. On the same array set, the set of DEGs by different methods were significantly different. We also applied the methods to artificial data sets and determined some measures that allow the preparation of the overall scoring of tested methods for future recommendation.ResultsWe found a very low level concordance of results from tested methods on real array sets. The number of common DEGs (detected by all six methods on fixed array sets, checked on eight array sets) ranged from 6 to 433 (22,283 total array readings). Results on artificial data sets were better than those on the real data. However, they were not fully satisfying. We scored tested methods on accuracy, recall, precision, f-measure and Matthews correlation coefficient. Based on the overall scoring, the best methods were SAM and LIMMA. We also found TT to be acceptable. The worst scoring was MW. Based on our study, we recommend: 1. Carefully taking into account the need for study when choosing a method, 2. Making high-level analysis with more than one method and then only taking the genes that are common to all methods (which seems to be reasonable) and 3. Being very careful (while summarizing facts) about sets of differentially expressed genes: different methods discover different sets of DEGs.
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