Low-wavenumber Raman spectral database of pharmaceutical excipients

Bērziņš, Kārlis; Sales, Ruth E.; Barnsley, Jonathan E.; Walker, Greg F.; Fraser‐Miller, Sara J.; Gordon, Keith C.

doi:10.1016/j.vibspec.2020.103021

Cited by 16 publications

(3 citation statements)

References 69 publications

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“…More specifically, the anhydrous caffeine β-form displays sharp phonon modes at 21 and 38 cm –1 , whereas its hydrated phase has phonon modes at 17, 36, 44, and 77 cm –1 . On the other hand, Soluplus has an apparent VDOS maximum at ∼52 cm –1 , coinciding with the previously reported data . Additionally, there are a number of lesser intensity spectral features in the MFR domain to further help distinguish all of the components of interest (Figure S2).…”

Section: Resultssupporting

confidence: 89%

In Situ Imaging of Subcutaneous Drug Delivery Systems Using Microspatially Offset Low-Frequency Raman Spectroscopy

Be̅rziņš,

Czyrski,

Aljabbari

et al. 2024

Anal. Chem.

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The noninvasive in situ monitoring of the status of drug retention and implant integrity of subcutaneous implants would allow optimization of therapy and avoid periods of subtherapeutic delivery kinetics. A proof-of principle study was conducted to determine the use of microspatially offset low-frequency Raman spectroscopy (micro-SOLFRS) for nonintrusive in situ analysis of subcutaneous drug delivery systems. Caffeine was used as the model drug, and it was embedded in a circular-shape Soluplus matrix via vacuum compression molding. For the exploratory analysis, prototype implants were positioned underneath skin tissue samples, and various caffeine concentrations (1−50% w/w) and micro-SOLFRS displacement settings (Δz = 0−8 mm) were tested from the pseudo three-dimensional (3D)-imaging perspective. This format allowed the optimization of real-time micro-SOLFRS analysis of implants through skin tissue that was embedded in an agarose hydrogel. Notably, this analytical approach allowed the temporal and spatial erosion of the implant and solid-state transformations of caffeine to be distinguished. The spectrometric results correlated with complementary high-performance liquid chromatography (HPLC) determination of changes in drug concentration, illustrating drug dissipation/diffusion characteristics. The discovered capability of micro-SOLFRS for in situ measurements of drugs and implants makes it attractive for biomedical diagnostics that, ultimately, could result in development of a new point-of-care technology.

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Section: Resultssupporting

confidence: 89%

In Situ Imaging of Subcutaneous Drug Delivery Systems Using Microspatially Offset Low-Frequency Raman Spectroscopy

Be̅rziņš,

Czyrski,

Aljabbari

et al. 2024

Anal. Chem.

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“…In concentrated samples, particular disaccharide (its monohydrate form) also displayed a number of low-energy phonon modes (<300 cm −1 ; Fig. S4), which were identified based on the previous work from our group [ 38 ].…”

Section: Resultsmentioning

confidence: 89%

Qualitative and quantitative vibrational spectroscopic analysis of macronutrients in breast milk

Bērziņš

Harrison

Leong

et al. 2021

Spectrochimica Acta Part A: Molecular and Biomolecular Spectros

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Raman and attenuated total reflectance-Fourier transform infrared (ATR-FTIR) spectroscopy were used to analyze 208 breast milk samples as part of a larger research study. Comprehensive qualitative and quantitative analysis was carried out using chemometric methods: principal component analysis (PCA) and partial least squares (PLS) regression. The obtained information on the main macronutrients (protein, fat and carbohydrate) were primarily evaluated in relation to the available metadata of the samples, where study location and respective primary food sources revealed a stronger differentiation in fat composition than its absolute content. The limitations and challenges of using both spectroscopic techniques for the type of analysis are also highlighted.

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“…The analogous format was utilised (on the same pH-STAT system with the same capillary and pump) using LFRS as the analytical technique. Unlike the conventional mid to high-frequency Raman spectroscopy (typically 400–4000 cm −1 ) that primarily probes the intramolecular bond vibrations of the molecules, LFRS (<200 cm −1 ) provides signatures from both the intramolecular and intermolecular (lattice or phonon) vibrations [ 17 , 18 , 19 , 20 , 21 , 22 , 23 , 24 , 25 ]. As such, distinctive sharp phonon peaks from crystalline solids can be observed in LFRS, which can be used to study the bulk [ 26 , 27 , 28 ] and/or spatial components [ 29 , 30 , 31 ] in pharmaceutical systems.…”

Section: Introductionmentioning

confidence: 99%

In Situ Monitoring of Drug Precipitation from Digesting Lipid Formulations Using Low-Frequency Raman Scattering Spectroscopy

et al. 2023

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Low-frequency Raman spectroscopy (LFRS) is a valuable tool to detect the solid state of amorphous and crystalline drugs in solid dosage forms and the transformation of drugs between different polymorphic forms. It has also been applied to track the solubilisation of solid drugs as suspensions in milk and infant formula during in vitro digestion. This study reports the use of LFRS as an approach to probe drug precipitation from a lipid-based drug delivery system (medium-chain self-nanoemulsifying drug delivery system, MC-SNEDDS) during in vitro digestion. Upon lipolysis of the digestible components in MC-SNEDDS containing fenofibrate as a model drug, sharp phonon peaks appeared at the low-frequency Raman spectral region (<200 cm−1), indicating the precipitation of fenofibrate in a crystalline form from the formulation. Two multivariate data analysis approaches (principal component analysis and partial least squares discriminant analysis) and one univariate analysis approach (band ratios) were explored to track these spectral changes over time. The low-frequency Raman data produces results in good agreement with in situ small angle X-ray scattering (SAXS) measurements with all data analysis approaches used, whereas the mid-frequency Raman requires the use of PLS-DA to gain similar results. This suggests that LFRS can be used as a complementary, and potentially more accessible, technique to SAXS to determine the kinetics of drug precipitation from lipid-based formulations.

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Low-wavenumber Raman spectral database of pharmaceutical excipients

Cited by 16 publications

References 69 publications

In Situ Imaging of Subcutaneous Drug Delivery Systems Using Microspatially Offset Low-Frequency Raman Spectroscopy

In Situ Imaging of Subcutaneous Drug Delivery Systems Using Microspatially Offset Low-Frequency Raman Spectroscopy

Qualitative and quantitative vibrational spectroscopic analysis of macronutrients in breast milk

In Situ Monitoring of Drug Precipitation from Digesting Lipid Formulations Using Low-Frequency Raman Scattering Spectroscopy

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