Desenvolvimento de um algoritmo para identificação e correção de spikes em espectroscopia raman de imagem

Sabin, Guilherme P.; Souza, Alexandre Lima de; Breitkreitz, Márcia Cristina; Poppi, Ronei J.

doi:10.1590/s0100-40422012000300030

Cited by 24 publications

(15 citation statements)

References 7 publications

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“…Spikes on Raman spectra were excluded using an algorithm written in Matlab 25 . After exclusion of spikes, the data cube was unfolded to a 2D matrix, where pixel position on axis x and y were rows, and spectral variables were the columns.…”

Section: Methodsmentioning

confidence: 99%

A pre-formulation study of tetracaine loaded in optimized nanostructured lipid carriers

Castro

Ribeiro

Breitkreitz

et al. 2021

Sci Rep

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Tetracaine (TTC) is a local anesthetic broadly used for topical and spinal blockade, despite its systemic toxicity. Encapsulation in nanostructured lipid carriers (NLC) may prolong TTC delivery at the site of injection, reducing such toxicity. This work reports the development of NLC loading 4% TTC. Structural properties and encapsulation efficiency (%EE > 63%) guided the selection of three pre-formulations of different lipid composition, through a 23 factorial design of experiments (DOE). DLS and TEM analyses revealed average sizes (193–220 nm), polydispersity (< 0.2), zeta potential |− 21.8 to − 30.1 mV| and spherical shape of the nanoparticles, while FTIR-ATR, NTA, DSC, XRD and SANS provided details on their structure and physicochemical stability over time. Interestingly, one optimized pre-formulation (CP-TRANS/TTC) showed phase-separation after 4 months, as predicted by Raman imaging that detected lack of miscibility between its solid (cetyl palmitate) and liquid (Transcutol) lipids. SANS analyses identified lamellar arrangements inside such nanoparticles, the thickness of the lamellae been decreased by TTC. As a result of this combined approach (DOE and biophysical techniques) two optimized pre-formulations were rationally selected, both with great potential as drug delivery systems, extending the release of the anesthetic (> 48 h) and reducing TTC cytotoxicity against Balb/c 3T3 cells.

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Section: Methodsmentioning

confidence: 99%

A pre-formulation study of tetracaine loaded in optimized nanostructured lipid carriers

Castro

Ribeiro

Breitkreitz

et al. 2021

Sci Rep

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“…After baseline correction, cosmic rays have been removed with the algorithm developed by Sabin et al (Sabin et al, 2012) with a k value of 15.…”

Section: Data Processingmentioning

confidence: 99%

Thorough characterization of a Self-Emulsifying Drug Delivery System with Raman hyperspectral imaging: A case study

Sacré

Netchacovitch

Bleye

et al. 2015

International Journal of Pharmaceutics

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Newly developed drugs often have poor bioavailability due to their poor water solubility (BCS class 2 drugs). It is therefore necessary to develop new strategies to enhance their solubility and their activity, among which, Self-Emulsifying Drug Delivery System (SEDDS).The efficacy of the drugs contained in these preparations is mainly affected by the solid state and the particle size of the active pharmaceutical ingredient (API).However, it is quite complex, long and expensive to characterize these parameters with classical techniques such as X-Ray powder diffraction, differential scanning calorimetry or hot stage microscopy.The present article presents, through a case study, the advantages of the Raman hyperspectral imaging in the characterization of such formulations. Indeed, Raman chemical imaging may fully characterize SEDDS with single equipment and operator in a non-destructive way allowing the follow-up of the formulation during stability studies. Raman imaging is therefore a tool of choice in the PAT framework since it increases the knowledge of the formulation and the process. 2A quantitative multivariate method using Raman hyperspectral imaging to assay the API in the lipid based formulation has been developed and fully validated following the "total error" approach.

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“…The spikes of the Raman spectra were removed using the algorithm developed by Sabin et al, 25 baseline variations were corrected by asymmetric least squares, 26 noise was reduced by smoothing using the Savitzky–Golay algorithm (window of 5 points, second degree polynomial), and normalization to the unit vector was performed.…”

Section: Methodsmentioning

confidence: 99%

Extraction of information about structural changes in a semisolid pharmaceutical formulation from near‐infrared and Raman images by multivariate curve resolution–alternating least squares and ComDim

Mitsutake

Neves

Rutledge

et al. 2020

Journal of Chemometrics

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Solid dispersions are an interesting option to improve the solubility of Class II (high permeability, low water solubility) drugs of the Biopharmaceutical Classification System without the use of organic solvents. However, structural changes (polymorphism) may be present in both active pharmaceutical ingredients (API) and excipients, which require evaluation during pharmaceutical development. Thus, the aim of this work was to demonstrate the feasibility of using Raman and near-infrared (NIR) mapping associated with multivariate curve resolution-alternating least squares (MCR-ALS) and common components and specific weights analysis (CCSWA or ComDim) chemometric methods to assess the solid dispersions of atorvastatin calcium in Gelucire ® 48/16 under controlled (3.0 ± 1.0 C, sealed flask) and accelerated (33.0 ± 1.0 C, 75% of relative humidity, open flask) aging conditions. MCR-ALS allowed the identification of the amorphous and crystalline fractions of the drug within the solid dispersion, which is not easily achieved by traditional techniques such as differential scanning calorimetry and X-ray diffraction, especially for semisolid formulations. ComDim results indicated that Raman seemed more sensitive to the presence of the API, whereas NIR was found to be more sensitive to alterations in the spectra of the excipient. The use of the ComDim method is not yet widespread in the pharmaceutical area; therefore, this paper shows its potential to support pharmaceutical development in preformulation stages for stability studies.

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Desenvolvimento de um algoritmo para identificação e correção de spikes em espectroscopia raman de imagem

Cited by 24 publications

References 7 publications

A pre-formulation study of tetracaine loaded in optimized nanostructured lipid carriers

A pre-formulation study of tetracaine loaded in optimized nanostructured lipid carriers

Thorough characterization of a Self-Emulsifying Drug Delivery System with Raman hyperspectral imaging: A case study

Extraction of information about structural changes in a semisolid pharmaceutical formulation from near‐infrared and Raman images by multivariate curve resolution–alternating least squares and ComDim

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