Portable near-infrared instruments: Application for quality control of polymorphs in pharmaceutical raw materials and calibration transfer

Silva, Vitor Hugo da; Silva, Jailson José da; Pereira, Claudete Fernandes

doi:10.1016/j.jpba.2016.11.036

Cited by 44 publications

(13 citation statements)

References 31 publications

Supporting

Mentioning

Contrasting

Unclassified

Order By: Relevance

“…Additionally, the handheld type NIR spectrometers are commercially available at reduced costs [ 24 ]. Silva et al, investigated mebendazole polymorphism (form A, B, and C) evaluation using a portable NIR spectrometer [ 25 ]. Three forms of mebendazole spectra show the specific peak differences at approximately 1500 nm.…”

Section: Introductionmentioning

confidence: 99%

Effect of Polymers and Storage Relative Humidity on Amorphous Rebamipide and Its Solid Dispersion Transformation: Multiple Spectra Chemometrics of Powder X-Ray Diffraction and Near-Infrared Spectroscopy

et al. 2020

View full text Add to dashboard Cite

This study aimed to investigate the effect of polymers and storage relative humidity on amorphous rebamipide (RB) and its solid dispersion phase transformation using chemometrics based on multiple datasets. The amorphous RB was prepared using particle mixture and grinding methods with hydroxypropyl cellulose, polyvinylpyrrolidone, and sodium dodecyl sulfate. Prepared amorphous RB and solid dispersion samples were stored under a relative humidity of 30% and 75% for four weeks. Infrared spectra of the dispersion samples suggested that the hydrogen bond network was constructed among quinolinone, carbonyl acid, and amide of RB and other polymers. The dataset combining near-infrared (NIR) spectra and powder X-ray diffractograms were applied to principal component analysis (PCA). The relationship between diffractograms and NIR spectra was evaluated using loadings and the PCA score. The multiple spectra analysis is useful for evaluating model amorphous active pharmaceutical ingredients without a standard sample.

show abstract

Section: Introductionmentioning

confidence: 99%

Effect of Polymers and Storage Relative Humidity on Amorphous Rebamipide and Its Solid Dispersion Transformation: Multiple Spectra Chemometrics of Powder X-Ray Diffraction and Near-Infrared Spectroscopy

et al. 2020

View full text Add to dashboard Cite

show abstract

“…The focus of the recent research in this area was the correction of nonlinear signal response, day‐to‐day fluctuations, and disturbance factors from the gas background matrix in IR spectrometry . Attempts were also made to transfer multivariate models between benchtop Fourier transform and portable NIR spectrometers as it was shown for the determination of total soluble solid contents and quality control of polymorphs . A new approach was proposed to use calibration transfer between NIR spectra recorded for the same samples in different physical forms.…”

Section: Introductionmentioning

confidence: 99%

“…11 Attempts were also made to transfer multivariate models between benchtop Fourier transform and portable NIR spectrometers as it was shown for the determination of total soluble solid contents and quality control of polymorphs. 12,13 A new approach was proposed to use calibration transfer between NIR spectra recorded for the same samples in different physical forms. The method was extended to the quantification in intact tablets containing nevirapine by using calibration transfer with double window piecewise direct standardization (DWPDS).…”

Section: Introductionmentioning

confidence: 99%

A procedure for calibration transfer of DOSY NMR measurements: An example of molecular weight of heparin preparations

Monakhova

Diehl²

2019

Journal of Chemometrics

View full text Add to dashboard Cite

Calibration transfer is commonly used for spectra obtained on different spectrometers or other conditions. This paper reports a multivariate transfer approach for 2D diffusion‐ordered spectroscopy (DOSY) measurements among high‐resolution nuclear magnetic resonance (NMR) spectrometers on the basis of partial least squares (PLS) regression. As the test system previously published quantitative model to predict molecular weight of heparin, low molecular weight heparin (LMWH) was used. For multivariate modeling, piecewise direct standardization (PDS) and direct standardization (DS) were employed. PDS showed the best performance for estimating heparin molecular weight resulting in a significant decrease in root mean square error of prediction (RMSEP) from 647 and 393 Da without standardization to 513 and 135 Da when PDS was applied for heparin and LMWH, respectively. DS is not recommended for high‐resolution NMR data. The study showed the success of standardization procedure in cases when multivariate models have to be applied to the 2D NMR spectra recorded on different NMR spectrometers. The proposed approach appears to be a valuable achievement towards application of transfer models also to 2D NMR data.

show abstract

“…In view of these challenges, it has become necessary to develop new techniques that can be used to identify biological fluid stains directly at the scene of a crime. Recent technological progress has allowed manufacturers to miniaturize a number of analytical instrumentation, resulting in the production of portable and handheld devices that enable scientists to carry out analysis at any location [16][17][18][19][20]. The development of devices for the examination of evidence at crime scenes, without the need for transportation to a specialist laboratory (which is often costly and time-consuming) is therefore of great interest to the forensic body fluid identification community.…”

Section: Introductionmentioning

confidence: 99%

Feasibility of a handheld near infrared device for the qualitative analysis of bloodstains

Morillas

Gooch

Frascione

2018

Talanta

View full text Add to dashboard Cite

One of the most common tasks in criminal investigation is to determine from which tissue source a biological fluid stain originates. As a result, there are many tests that are frequently used to determine if a stain is blood, semen or saliva by exploiting the properties of certain molecules present within the fluids themselves. These include chemical reagents such as the Kastle-Meyer or Acid Phosphatase tests, as well as other techniques like the use of alternative light sources. However, most of the tests currently available have some major drawbacks. In this study, a handheld near-infrared spectrometer is investigated for the specific identification of deposited bloodstains. First, a calibration was carried out by scanning over 500 positive (blood present) and negative (blood absent) samples to train several predictive models based on machine learning principles. These models were then tested on over 100 new positive and negative samples to evaluate their performance. All models tested were able to correctly classify deposited stains as blood in at least 81% of tested samples, with some models allowing for even higher classification accuracy at over 94%. This suggests that handheld near infrared devices could offer great opportunity for the rapid, low cost and non-destructive screening of body fluids at scenes of crime.

show abstract

Portable near-infrared instruments: Application for quality control of polymorphs in pharmaceutical raw materials and calibration transfer

Cited by 44 publications

References 31 publications

Effect of Polymers and Storage Relative Humidity on Amorphous Rebamipide and Its Solid Dispersion Transformation: Multiple Spectra Chemometrics of Powder X-Ray Diffraction and Near-Infrared Spectroscopy

Effect of Polymers and Storage Relative Humidity on Amorphous Rebamipide and Its Solid Dispersion Transformation: Multiple Spectra Chemometrics of Powder X-Ray Diffraction and Near-Infrared Spectroscopy

A procedure for calibration transfer of DOSY NMR measurements: An example of molecular weight of heparin preparations

Feasibility of a handheld near infrared device for the qualitative analysis of bloodstains

Contact Info

Product

Resources

About