کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1180379 1491531 2015 9 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Improvement of iterative optimization technology (for process analytical technology calibration-free/minimum approach) with dimensionality reduction and wavelength selection of spectra
ترجمه فارسی عنوان
بهبود تکنولوژی بهینه سازی تکراری (برای فرآیند تجزیه و تحلیل کالیبراسیون / حداقل روش فن آوری) با کاهش ابعاد و انتخاب طول موج طیف
کلمات کلیدی
تکنولوژی تحلیلی فرآیند، تکنولوژی بهینه سازی حرارتی، کاهش ابعاد، انتخاب طول موج
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی آنالیزی یا شیمی تجزیه
چکیده انگلیسی


• Our goal is to improve predictive ability of iterative optimization technology (IOT).
• IOT can predict the composition of a mixture without calibration.
• Latent variable model approach is used for dimensionality reduction of spectra.
• Genetic algorithm is applied to wavelength-region selection.
• The performance is confirmed with a simulated dataset and two industrial datasets.

Process analytical technology plays an important role in the pharmaceutical industry. Calibration-free/minimum approach, iterative optimization technology (IOT), was previously proposed to predict the composition of a mixture while maintaining a similar prediction ability to calibration models such as a partial least squares. However, for the mixture case which includes similar structured materials, it would be essentially difficult to provide good prediction on mixture component ratio. This study presents a method which can improve the prediction ability of IOT through reducing dimensionality of spectra with optimal selection of wavelength. It involves using a latent variable model approach for dimensionality reduction of spectra in IOT and genetic algorithm-based wavelength selection for optimal wavelength-region selection. Through the analyses of numerical simulation data and real industrial data, it was confirmed that the proposed method achieved higher predictive accuracy compared to the traditional IOT.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemometrics and Intelligent Laboratory Systems - Volume 147, 15 October 2015, Pages 176–184
نویسندگان
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