Pregled bibliografske jedinice broj: 1184242
COMPARISON OF LINEAR CALIBRATION MODELS FOR PREDICTING GLYCINE CONCENTRATION
COMPARISON OF LINEAR CALIBRATION MODELS FOR PREDICTING GLYCINE CONCENTRATION // XIV. SUSRET MLADIH KEMIJSKIH INŽENJERA KNJIGA SAŽETAKA / Žižek, Krunoslav ; Katančić, Zvonimir ; Kovačić, Marin (ur.).
Zagreb: Hrvatsko društvo kemijskih inženjera i tehnologa (HDKI), 2022. str. 38-38 (poster, međunarodna recenzija, sažetak, znanstveni)
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Naslov
COMPARISON OF LINEAR CALIBRATION MODELS
FOR PREDICTING GLYCINE CONCENTRATION
Autori
Gavran, Matea ; Sacher, Josip ; Bolf, Nenad ; Ujević Andrijić, Željka
Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, znanstveni
Izvornik
XIV. SUSRET MLADIH KEMIJSKIH INŽENJERA KNJIGA SAŽETAKA
/ Žižek, Krunoslav ; Katančić, Zvonimir ; Kovačić, Marin - Zagreb : Hrvatsko društvo kemijskih inženjera i tehnologa (HDKI), 2022, 38-38
Skup
XIV. susret mladih kemijskih inženjera (SMLKI 2022)
Mjesto i datum
Zagreb, Hrvatska, 24.02.2022. - 25.02.2022
Vrsta sudjelovanja
Poster
Vrsta recenzije
Međunarodna recenzija
Ključne riječi
crystallization ; process analytical technology ; PLSR ; PCR ; calibration ; ATR-FTIR spectroscopy
Sažetak
Accurate measurement of solution concentration is of great importance for crystallization processes since supersaturation is prerequisite for nucleation and crystal growth. The development of process analytical technologies (PAT) enables the continuous measurements of process parameters for the production of high-quality drug products. The current solute concentration among with solubility curve provides information on supersaturation in the solution and thus allows implementation of feedback supersaturation control (SSC). The most commonly used method for in-situ concentration measurements is using ATR-FTIR spectroscopy. The IR absorbance of the dissolved compound is dependent on its concentration in the solution, as well as the temperature of the solvent. Therefore, a calibration is necessary to convert absorbance data into solution concentration [1]. In this work, ATR-FTIR spectra with the corresponding temperature of solutions with different concentrations are used to build two different calibration models: partial least squares regression (PLSR) and principal component regression (PCR) to monitor the concentration of glycine solution in real-time. Cross-validation was used to choose the right number of components to avoid overfitting the model. After visualizing ATR-FTIR spectra, the characteristic absorption bands were marked in the region between 1200 and 1800 cm-1 . The original dataset (W) and the subdivided dataset (C) were preprocessed using several different mathematical treatments (scaling, normalization, standardization and SavitzkyGolay smoothing) and used to build calibration models. Results show that, PLSR has better predictive performance in comparison to PCR with the same number of components used.
Izvorni jezik
Engleski
Znanstvena područja
Kemijsko inženjerstvo
POVEZANOST RADA
Projekti:
EK-EFRR-KK.01.1.1.07.0017 - Napredno vođenje procesa kristalizacije (CrystAPC) (Bolf, Nenad, EK - KK.01.1.1.07) ( CroRIS)
Ustanove:
Fakultet kemijskog inženjerstva i tehnologije, Zagreb
Profili:
Željka Ujević Andrijić
(autor)
Nenad Bolf
(autor)
Matea Gavran
(autor)
Josip Sacher
(autor)