In situ Analytical Quality Control of chemotherapeutic solutions in infusion bags by Raman spectroscopy

Makki, Alaa A.; Elderderi, Suha; Massot, Victor; Respaud, Renaud; Byrne, Hugh J.; Tauber, Clovis; Bertrand, Dominique; Mohammed, Elhadi; Chourpa, Igor; Bonnier, Franck

doi:10.1016/j.talanta.2021.122137

Cited by 10 publications

(6 citation statements)

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“…As an example, Raman spectra can be recorded from a sample directly in its container [ 16 , 17 , 18 ]. The analysis can be performed directly through packaging materials for identification of raw pharmaceutical materials in amber glass bottles, opaque polypropylene containers, paper, blue plastic sacking [ 16 ] and USP vials [ 17 ], enabling, for example, characterisation of artesunate antimalarial drugs through blister bags [ 18 ] or discrimination and quantification of chemotherapeutic solutions in glass bottles [ 19 ] or perfusion plastic bags [ 20 ]. In this configuration, the signal is collected in situ (or non-invasively) from a voxel corresponding to a reduced volume into the sample without requirement for samples withdrawal.…”

Section: Introductionmentioning

confidence: 99%

In Situ Water Quantification in Natural Deep Eutectic Solvents Using Portable Raman Spectroscopy

et al. 2021

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Raman spectroscopy is a label-free, non-destructive, non-invasive analytical tool that provides insight into the molecular composition of samples with minimum or no sample preparation. The increased availability of commercial portable Raman devices presents a potentially easy and convenient analytical solution for day-to-day analysis in laboratories and production lines. However, their performance for highly specific and sensitive analysis applications has not been extensively evaluated. This study performs a direct comparison of such a commercially available, portable Raman system, with a research grade Raman microscope system for the analysis of water content of Natural Deep Eutectic Solvents (NADES). NADES are renewable, biodegradable and easily tunable “green” solvents, outcompeting existing organic solvents for applications in extraction from biomass, biocatalysis, and nanoparticle synthesis. Water content in NADES is, however, a critical parameter, affecting their properties, optimal use and extraction efficiency. In the present study, portable Raman spectroscopy coupled with Partial Least Squares Regression (PLSR) is investigated for rapid determination of water content in NADES samples in situ, i.e., directly in glassware. Three NADES systems, namely Betaine Glycerol (BG), Choline Chloride Glycerol (CCG) and Glucose Glycerol (GG), containing a range of water concentrations between 0% (w/w) and 28.5% (w/w), were studied. The results are directly compared with previously published studies of the same systems, using a research grade Raman microscope. PLSR results demonstrate the reliability of the analysis, surrendering R2 values above 0.99. Root Mean Square Errors Prediction (RMSEP) of 0.6805%, 0.9859% and 1.2907% w/w were found for respectively unknown CCG, BG and GG samples using the portable device compared to 0.4715%, 0.3437% and 0.7409% w/w previously obtained by analysis in quartz cuvettes with a Raman confocal microscope. Despite the relatively higher values of RMSEP observed, the comparison of the percentage of relative errors in the predicted concentration highlights that, overall, the portable device delivers accuracy below 5%. Ultimately, it has been demonstrated that portable Raman spectroscopy enables accurate quantification of water in NADES directly through glass vials without the requirement for sample withdrawal. Such compact instruments provide solvent and consumable free analysis for rapid analysis directly in laboratories and for non-expert users. Portable Raman is a promising approach for high throughput monitoring of water content in NADES that can support the development of new analytical protocols in the field of green chemistry in research and development laboratories but also in the industry as a routine quality control tool.

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Section: Introductionmentioning

confidence: 99%

In Situ Water Quantification in Natural Deep Eutectic Solvents Using Portable Raman Spectroscopy

et al. 2021

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“…It is well known that the Raman spectrum of water is very weak and would normally not interfere with the spectra of the materials in solution or suspension. Raman spectroscopy has been reported for rapid qualitative and quantitative assessment of drugs in an aqueous solution and for in situ quality control of the solution of drugs in infusion bags . Furthermore, the use of Raman spectroscopy in process analytical technology emphasizes the feasibility of analyzing drugs in an aqueous environment. , Therefore, implementing similar analyses in an aqueous environment in a clinical setting may not represent major scientific challenge.…”

Section: Resultsmentioning

confidence: 99%

Co-administration of Intravenous Drugs: Rapidly Troubleshooting the Solid Form Composition of a Precipitate in a Multi-drug Mixture Using On-Site Raman Spectroscopy

et al. 2023

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Intravenous drugs are often co-administrated in the same intravenous catheter line due to which compatibility issues, such as complex precipitation processes in the catheter line, may occur. A well-known example that led to several neonatal deaths is the precipitation due to coadministration of ceftriaxone-and calcium-containing solutions. The current study is exploring the applicability of Raman spectroscopy for testing intravenous drug compatibility in hospital settings. The precipitation of ceftriaxone calcium was used as a model system and explored in several multi-drug mixtures containing both structurally similar and clinically relevant drugs for co-infusion. Equal molar concentrations of solutions containing ceftriaxone and calcium chloride dihydrate were mixed with solutions of cefotaxime, ampicillin, paracetamol, and metoclopramide. The precipitate formed was collected as an "unknown" material, dried, and analyzed. Several solid-state analytical methods, including X-ray powder diffraction, Raman spectroscopy, and thermogravimetric analysis, were used to characterize the precipitate. Raman microscopy was used to investigate the identity of single sub-visual particles precipitated from a mixture of ceftriaxone, cefotaxime, and calcium chloride. X-ray powder diffraction suggested that the precipitate was partially crystalline; however, the identity of the solid form of the precipitate could not be confirmed with this standard method. Raman spectroscopy combined with multi-variate analyses (principal component analysis and soft independent modelling class analogy) enabled the correct detection and identification of the precipitate as ceftriaxone calcium. Raman microscopy enabled the identification of ceftriaxone calcium single particles of sub-visual size (around 25 μm), which is in the size range that may occlude capillaries. This study indicates that Raman spectroscopy is a promising approach for supporting clinical decisions and especially for compatibility assessments of drug infusions in hospital settings.

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“…The statistical relevancy of the quantitative analysis performed was evaluated through cross-validation procedures with a three-way splitting of the data into calibration, validation and test sets [ 74 ]. For the purpose of the study, 5 sets of data were prepared and analysed (SET_01, SET_02, SET_03, SET_04 and SET_05).…”

Section: Methodsmentioning

confidence: 99%

Comparison of Vibrational Spectroscopic Techniques for Quantification of Water in Natural Deep Eutectic Solvents

et al. 2022

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Vibrational spectroscopic techniques, i.e., attenuated total reflectance infrared (ATR-IR), near infrared spectroscopy (NIRS) and Raman spectroscopy (RS), coupled with Partial Least Squares Regression (PLSR), were evaluated as cost-effective label-free and reagent-free tools to monitor water content in Levulinic Acid/L-Proline (LALP) (2:1, mol/mol) Natural Deep Eutectic Solvent (NADES). ATR-IR delivered the best outcome of Root Mean Squared Error (RMSE) of Cross-Validation (CV) = 0.27% added water concentration, RMSE of Prediction (P) = 0.27% added water concentration and mean % relative error = 2.59%. Two NIRS instruments (benchtop and handheld) were also compared during the study, respectively yielding RMSECV = 0.35% added water concentration, RMSEP = 0.56% added water concentration and mean % relative error = 5.13% added water concentration, and RMECV = 0.36% added water concentration, RMSEP = 0.68% added water concentration and mean % relative error = 6.23%. RS analysis performed in quartz cuvettes enabled accurate water quantification with RMECV = 0.43% added water concentration, RMSEP = 0.67% added water concentration and mean % relative error = 6.75%. While the vibrational spectroscopic techniques studied have shown high performance in relation to reliable determination of water concentration, their accuracy is most likely related to their sensitivity to detect the LALP compounds in the NADES. For instance, whereas ATR-IR spectra display strong features from water, Levulinic Acid and L-Proline that contribute to the PLSR predictive models constructed, NIRS and RS spectra are respectively dominated by either water or LALP compounds, representing partial molecular information and moderate accuracy compared to ATR-IR. However, while ATR-IR instruments are common in chemistry and physics laboratories, making the technique readily transferable to water quantification in NADES, Raman spectroscopy offers promising potential for future development for in situ, sample withdrawal-free analysis for high throughput and online monitoring.

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In situ Analytical Quality Control of chemotherapeutic solutions in infusion bags by Raman spectroscopy

Cited by 10 publications

References 50 publications

In Situ Water Quantification in Natural Deep Eutectic Solvents Using Portable Raman Spectroscopy

In Situ Water Quantification in Natural Deep Eutectic Solvents Using Portable Raman Spectroscopy

Co-administration of Intravenous Drugs: Rapidly Troubleshooting the Solid Form Composition of a Precipitate in a Multi-drug Mixture Using On-Site Raman Spectroscopy

Comparison of Vibrational Spectroscopic Techniques for Quantification of Water in Natural Deep Eutectic Solvents

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