Nonlinear unmixing of hyperspectral reflectance data is one of the key problems in quantitative imaging of painted works of art. The approach presented is to interrogate a hyperspectral image cube by first decomposing it into a set of reflectance curves representing pure basis pigments and second to estimate the scattering and absorption coefficients of each pigment in a given pixel to produce estimates of the component fractions. This two-step algorithm uses a deep neural network to qualitatively identify the constituent pigments in any unknown spectrum and, based on the pigment(s) present and Kubelka-Munk theory to estimate the pigment concentration on a per-pixel basis. Using hyperspectral data acquired on a set of mock-up paintings and a well-characterized illuminated folio from the 15th century, the performance of the proposed algorithm is demonstrated for pigment recognition and quantitative estimation of concentration.
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http://dx.doi.org/10.1002/anie.201805135 | DOI Listing |
Mol Pharm
December 2024
Pharmaceutical Sciences, Orion Corporation, Espoo FI-02200, Finland.
This study reports the application of stimulated Raman scattering (SRS) microscopy for real-time chemically specific imaging of dynamic phase phenomena in amorphous solid dispersions (ASDs). Using binary ritonavir and poly(vinylpyrrolidone-vinyl acetate) films with different drug loadings (0-100% w/w) as model systems, we employed SRS microscopy with fast spectral focusing to analyze ASD behavior upon contact with a dissolution medium. Multivariate unmixing of the SRS spectra allowed changes in the distributions of the drug, polymer, and water to be (semi)quantitatively imaged in real time, both in the film and the adjacent dissolution medium.
View Article and Find Full Text PDFNeural Netw
January 2025
Department of Mathematics and Statistics, University of Jyväskylä, Finland.
Modelling multivariate spatio-temporal data with complex dependency structures is a challenging task but can be simplified by assuming that the original variables are generated from independent latent components. If these components are found, they can be modelled univariately. Blind source separation aims to recover the latent components by estimating the unknown linear or nonlinear unmixing transformation based on the observed data only.
View Article and Find Full Text PDFWaste Manag
December 2024
Institute of Waste Treatment & Reclamation, College of Environmental Science and Engineering, Tongji University, Shanghai 200092, China; Shanghai Institute of Pollution Control and Ecological Security, Shanghai 200092, China. Electronic address:
J Chem Phys
September 2024
Material Science Institute, University of Oregon, Eugene, Oregon 97403, USA.
Nonlinear response theory is employed to derive a closure to the polymer reference interaction site model equation. The closure applies to a liquid of neutral polymers at melt densities. It can be considered a molecular generalization of the mean spherical approximation (MSA) closure of Lebowitz and Percus to the atomic Ornstein-Zernike (OZ) equation and is similar in some aspects to the reference "molecular" MSA (R-MMSA) closure of Schweizer and Yethiraj to PRISM.
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