Remoto Peter J G, Gordon Keith C, Fraser-Miller Sara J
The Dodd-Walls Centre for Photonic and Quantum Technologies, University of Otago, Dunedin 9016, New Zealand.
The Department of Chemistry, University of Otago, Dunedin 9016, New Zealand.
Pharmaceuticals (Basel). 2024 Dec 9;17(12):1659. doi: 10.3390/ph17121659.
Two fibre optic probes were custom designed to perform Raman and near-infrared spectroscopic measurements. Our long-term objective is to develop a non-destructive tool able to collect data in hard-to-access locations for real-time analysis or diagnostic purposes. This study evaluated the quantitative performances of Probe A and Probe B using model pharmaceutical tablets. Measurements were performed using pharmaceutical tablets containing hydroxyl propylcellulose, titanium dioxide (anatase), lactose monohydrate, and indomethacin (γ form). Material content and thickness of bilayer samples (samples consisting of a top layer and a bottom layer of differing materials) were also assessed using Probe A to evaluate its capabilities to collect sub-surface information. Principal component analysis and partial least squares regression models were using individual and fused data to evaluate the performances of the different probe configurations. Hydroxymethyl cellulose (RP2=0.98, RMSEP = 2.27% /) and lactose monohydrate (RP2=0.97, RMSEP = 2.96% /) content were most effectively estimated by near-infrared spectroscopy data collected using Probe A. Titanium dioxide (RP2=0.99, RMSEP = 0.21% /) content was most effectively estimated using a combination of 785 nm Raman spectroscopy and near-infrared spectroscopy using Probe B. Indomethacin (RP2=0.97, RMSEP = 1.01% /) was best estimated using a low-level fused dataset collected using 0 mm, 2.5 mm, and 5.0 mm lateral offsets of 785 nm spatially offset Raman spectroscopy using Probe A. The different probe configurations were able to reliably collect data and demonstrated robust quantitative performances. These results highlight the advantage of using multiple techniques for analysing different structures.
定制设计了两个光纤探头，用于进行拉曼光谱和近红外光谱测量。我们的长期目标是开发一种无损工具，能够在难以到达的位置收集数据，用于实时分析或诊断目的。本研究使用模型药片片剂评估了探头A和探头B的定量性能。测量使用含有羟丙基纤维素、二氧化钛（锐钛矿型）、一水乳糖和吲哚美辛（γ型）的药片片剂进行。还使用探头A评估了双层样品（由不同材料的顶层和底层组成的样品）的材料含量和厚度，以评估其收集次表面信息的能力。主成分分析和偏最小二乘回归模型使用单独的数据和融合数据来评估不同探头配置的性能。使用探头A收集的近红外光谱数据最有效地估计了羟甲基纤维素（RP2 = 0.98，RMSEP = 2.27% /）和一水乳糖（RP2 = 0.97，RMSEP = 2.96% /）的含量。使用探头B的785 nm拉曼光谱和近红外光谱的组合最有效地估计了二氧化钛（RP2 = 0.99，RMSEP = 0.21% /）的含量。使用探头A的785 nm空间偏移拉曼光谱在0 mm、2.5 mm和5.0 mm横向偏移下收集的低水平融合数据集，最能准确估计吲哚美辛（RP2 = 0.97，RMSEP = 1.01% /）的含量。不同的探头配置能够可靠地收集数据，并展示出强大的定量性能。这些结果突出了使用多种技术分析不同结构的优势。
