[go: up one dir, main page]
More Web Proxy on the site http://driver.im/

Kaspar, 2023 - Google Patents

Quality data from messy spectra: How isometric points increase information content in highly overlapping spectra

Kaspar, 2023

View PDF
Document ID
548548096707032092
Author
Kaspar F
Publication year
Publication venue
ChemBioChem

External Links

Snippet

Spectroscopic techniques are immensely useful for obtaining information about chemical transformations while they are happening. However, such data are often messy, and it is challenging to extract reliable information from them without careful calibrations or internal …
Continue reading at chemistry-europe.onlinelibrary.wiley.com (PDF) (other versions)

Classifications

    • GPHYSICS
    • G01MEASURING; TESTING
    • G01NINVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N21/00Investigating or analysing materials by the use of optical means, i.e. using infra-red, visible or ultra-violet light
    • G01N21/17Systems in which incident light is modified in accordance with the properties of the material investigated
    • G01N21/25Colour; Spectral properties, i.e. comparison of effect of material on the light at two or more different wavelengths or wavelength bands
    • G01N21/31Investigating relative effect of material at wavelengths characteristic of specific elements or molecules, e.g. atomic absorption spectrometry
    • G01N21/35Investigating relative effect of material at wavelengths characteristic of specific elements or molecules, e.g. atomic absorption spectrometry using infra-red light
    • G01N21/359Investigating relative effect of material at wavelengths characteristic of specific elements or molecules, e.g. atomic absorption spectrometry using infra-red light using near infra-red light
    • GPHYSICS
    • G01MEASURING; TESTING
    • G01NINVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N21/00Investigating or analysing materials by the use of optical means, i.e. using infra-red, visible or ultra-violet light
    • G01N21/17Systems in which incident light is modified in accordance with the properties of the material investigated
    • G01N21/25Colour; Spectral properties, i.e. comparison of effect of material on the light at two or more different wavelengths or wavelength bands
    • G01N21/31Investigating relative effect of material at wavelengths characteristic of specific elements or molecules, e.g. atomic absorption spectrometry
    • G01N21/35Investigating relative effect of material at wavelengths characteristic of specific elements or molecules, e.g. atomic absorption spectrometry using infra-red light
    • G01N21/3577Investigating relative effect of material at wavelengths characteristic of specific elements or molecules, e.g. atomic absorption spectrometry using infra-red light for analysing liquids, e.g. polluted water
    • GPHYSICS
    • G01MEASURING; TESTING
    • G01NINVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N21/00Investigating or analysing materials by the use of optical means, i.e. using infra-red, visible or ultra-violet light
    • G01N21/17Systems in which incident light is modified in accordance with the properties of the material investigated
    • G01N21/25Colour; Spectral properties, i.e. comparison of effect of material on the light at two or more different wavelengths or wavelength bands
    • G01N21/27Colour; Spectral properties, i.e. comparison of effect of material on the light at two or more different wavelengths or wavelength bands using photo-electric detection circuits for computing concentration
    • G01N21/274Calibration, base line adjustment, drift correction
    • GPHYSICS
    • G01MEASURING; TESTING
    • G01NINVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N21/00Investigating or analysing materials by the use of optical means, i.e. using infra-red, visible or ultra-violet light
    • G01N21/62Systems in which the material investigated is excited whereby it emits light or causes a change in wavelength of the incident light
    • G01N21/63Systems in which the material investigated is excited whereby it emits light or causes a change in wavelength of the incident light optically excited
    • G01N21/65Raman scattering
    • G01N2021/653Coherent methods [CARS]
    • GPHYSICS
    • G01MEASURING; TESTING
    • G01NINVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N21/00Investigating or analysing materials by the use of optical means, i.e. using infra-red, visible or ultra-violet light
    • G01N21/62Systems in which the material investigated is excited whereby it emits light or causes a change in wavelength of the incident light
    • G01N21/63Systems in which the material investigated is excited whereby it emits light or causes a change in wavelength of the incident light optically excited
    • G01N21/64Fluorescence; Phosphorescence
    • GPHYSICS
    • G01MEASURING; TESTING
    • G01JMEASUREMENT OF INTENSITY, VELOCITY, SPECTRAL CONTENT, POLARISATION, PHASE OR PULSE CHARACTERISTICS OF INFRA-RED, VISIBLE OR ULTRA-VIOLET LIGHT; COLORIMETRY; RADIATION PYROMETRY
    • G01J3/00Spectrometry; Spectrophotometry; Monochromators; Measuring colour
    • G01J3/28Investigating the spectrum
    • G01J3/44Raman spectrometry; Scattering spectrometry; Fluorescence spectrometry
    • GPHYSICS
    • G01MEASURING; TESTING
    • G01NINVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N21/00Investigating or analysing materials by the use of optical means, i.e. using infra-red, visible or ultra-violet light
    • G01N21/01Arrangements or apparatus for facilitating the optical investigation
    • GPHYSICS
    • G01MEASURING; TESTING
    • G01NINVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N21/00Investigating or analysing materials by the use of optical means, i.e. using infra-red, visible or ultra-violet light
    • G01N21/75Systems in which material is subjected to a chemical reaction, the progress or the result of the reaction being investigated
    • GPHYSICS
    • G01MEASURING; TESTING
    • G01NINVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N2201/00Features of devices classified in G01N21/00
    • G01N2201/12Circuits of general importance; Signal processing
    • G01N2201/129Using chemometrical methods
    • GPHYSICS
    • G01MEASURING; TESTING
    • G01JMEASUREMENT OF INTENSITY, VELOCITY, SPECTRAL CONTENT, POLARISATION, PHASE OR PULSE CHARACTERISTICS OF INFRA-RED, VISIBLE OR ULTRA-VIOLET LIGHT; COLORIMETRY; RADIATION PYROMETRY
    • G01J3/00Spectrometry; Spectrophotometry; Monochromators; Measuring colour
    • G01J3/12Generating the spectrum; Monochromators
    • G01J3/18Generating the spectrum; Monochromators using diffraction elements, e.g. grating

Similar Documents

Publication Publication Date Title
Xu et al. Wavelength selection for simultaneous spectroscopic analysis. Experimental and theoretical study
Chen et al. Extracting chemical information from spectral data with multiplicative light scattering effects by optical path-length estimation and correction
Kaspar Quality data from messy spectra: How isometric points increase information content in highly overlapping spectra
Chen et al. The combined optimization of Savitzky‐Golay smoothing and multiplicative scatter correction for FT‐NIR PLS models
Garrido et al. Multivariate curve resolution–alternating least squares (MCR-ALS) applied to spectroscopic data from monitoring chemical reactions processes
Arakawa et al. Genetic algorithm‐based wavelength selection method for spectral calibration
Eliaerts et al. Rapid classification and quantification of cocaine in seized powders with ATR‐FTIR and chemometrics
Yun et al. A perspective demonstration on the importance of variable selection in inverse calibration for complex analytical systems
Mayr et al. Challenging handheld NIR spectrometers with moisture analysis in plant matrices: Performance of PLSR vs. GPR vs. ANN modelling
Lyndgaard et al. Quantification of paracetamol through tablet blister packages by Raman spectroscopy and multivariate curve resolution-alternating least squares
Azzouz et al. Comparison between different data pre-treatment methods in the analysis of forage samples using near-infrared diffuse reflectance spectroscopy and partial least-squares multivariate calibration method
Rowland‐Jones et al. Comparison of spectroscopy technologies for improved monitoring of cell culture processes in miniature bioreactors
Sáiz-Abajo et al. Ensemble methods and data augmentation by noise addition applied to the analysis of spectroscopic data
Viell et al. Concentration Measurements in Ionic Liquid–Water Mixtures by Mid-Infrared Spectroscopy and Indirect Hard Modeling
Yousefinejad et al. Simultaneous spectrophotometric determination of paracetamol and para‐aminophenol in pharmaceutical dosage forms using two novel multivariate standard addition methods based on net analyte signal and rank annihilation factor analysis
DeJong et al. Detection limits for blood on four fabric types using infrared diffuse reflection spectroscopy in mid-and near-infrared spectral windows
Forina et al. Multivariate calibration: applications to pharmaceutical analysis
Fransson et al. Comparison of multivariate methods for quantitative determination with transmission Raman spectroscopy in pharmaceutical formulations
Saeys et al. Increasing robustness against changes in the interferent structure by incorporating prior information in the augmented classical least-squares framework
Inagaki et al. The effect of path length, light intensity and co-added time on the detection limit associated with NIR spectroscopy of potassium hydrogen phthalate in aqueous solution
Khaydukova et al. Multivariate calibration transfer between two potentiometric multisensor systems
Chen et al. Enhancing the signal-to-noise ratio of X-ray diffraction profiles by smoothed principal component analysis
Tomuta et al. High-throughput NIR-chemometric method for meloxicam assay from powder blends for tableting
Ferré et al. Detection and correction of biased results of individual analytes in multicomponent spectroscopic analysis
Müller et al. Bioprocess in‐line monitoring using Raman spectroscopy and Indirect Hard Modeling (IHM): A simple calibration yields a robust model