Time-Gated Raman Spectroscopy for Quantitative Determination of Solid-State Forms of Fluorescent Pharmaceuticals

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Lipiäinen , T , Pessi , J , Movahedi , P , Koivistoinen , J , Kurki , L , Tenhunen , M , Yliruusi , J , Juppo , A M , Heikkonen , J , Pahikkala , T & Strachan , C J 2018 , ' Time-Gated Raman Spectroscopy for Quantitative Determination of Solid-State Forms of Fluorescent Pharmaceuticals ' , Analytical Chemistry , vol. 90 , no. 7 , pp. 4832-4839 . https://doi.org/10.1021/acs.analchem.8b00298

Title: Time-Gated Raman Spectroscopy for Quantitative Determination of Solid-State Forms of Fluorescent Pharmaceuticals
Author: Lipiäinen, Tiina; Pessi, Jenni; Movahedi, Parisa; Koivistoinen, Juha; Kurki, Lauri; Tenhunen, Mari; Yliruusi, Jouko; Juppo, Anne M.; Heikkonen, Jukka; Pahikkala, Tapio; Strachan, Clare J.
Contributor organization: Pharmaceutical Design and Discovery group
Division of Pharmaceutical Chemistry and Technology
Faculty of Pharmacy
Jouko Yliruusi / Principal Investigator
Preclinical Drug Formulation and Analysis group
Drug Research Program
Anne Juppo / Principal Investigator
Clare Strachan / Research Group
Formulation and industrial pharmacy
Date: 2018-04-03
Language: eng
Number of pages: 8
Belongs to series: Analytical Chemistry
ISSN: 0003-2700
DOI: https://doi.org/10.1021/acs.analchem.8b00298
URI: http://hdl.handle.net/10138/256022
Abstract: Raman spectroscopy is widely used for quantitative pharmaceutical analysis, but a common obstacle to its use is sample fluorescence masking the Raman signal. Time-gating provides an instrument-based method for rejecting fluorescence through temporal resolution of the spectral signal and allows Raman spectra of fluorescent materials to be obtained. An additional practical advantage is that analysis is possible in ambient lighting. This study assesses the efficacy of time-gated Raman spectroscopy for the quantitative measurement of fluorescent pharmaceuticals. Time-gated Raman spectroscopy with a 128 X (2) X 4 CMOS SPAD detector was applied for quantitative analysis of ternary mixtures of solid-state forms of the model drug, piroxicam (PRX). Partial least-squares (PLS) regression allowed quantification, with Raman-active time domain selection (based on visual inspection) improving performance. Model performance was further improved by using kernel-based regularized least-squares (RLS) regression with greedy feature selection in which the data use in both the Raman shift and time dimensions was statistically optimized. Overall, time-gated Raman spectroscopy, especially with optimized data analysis in both the spectral and time dimensions, shows potential for sensitive and relatively routine quantitative analysis of photoluminescent pharmaceuticals during drug development and manufacturing.
Subject: 116 Chemical sciences
PHOTON AVALANCHE-DIODE
RAY-POWDER DIFFRACTION
PIROXICAM
SENSOR
SPAD
SUPPRESSION
RESONANCE
MIXTURES
DETECTOR
CRYSTALLIZATION
Peer reviewed: Yes
Rights: cc_by
Usage restriction: openAccess
Self-archived version: publishedVersion


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