Contribution to the identification of α‐, β‐ and ε‐copper phthalocyanine blue pigments in modern artists' paints by X‐ray powder diffraction, attenuated total reflectance micro‐fourier transform infrared spectroscopy and micro‐Raman spectroscopy

2012 ◽  
Vol 43 (11) ◽  
pp. 1772-1780 ◽  
Author(s):  
C. Defeyt ◽  
P. Vandenabeele ◽  
B. Gilbert ◽  
J. Van Pevenage ◽  
R. Cloots ◽  
...  
Keyword(s):  
Raman Spectroscopy ◽  
Fourier Transform ◽  
Infrared Spectroscopy ◽  
Powder Diffraction ◽  
Copper Phthalocyanine ◽  
Attenuated Total Reflectance ◽  
Total Reflectance ◽  
X Ray ◽  
Micro Raman Spectroscopy ◽  
Modern Artists

Determination of the Polymorphic Forms of Bicifadine Hydrochloride by Differential Scanning Calorimetry—Thermogravimetric Analysis, X-Ray Powder Diffraction, Attenuated Total Reflectance—Infrared Spectroscopy, and Attenuated Total Reflectance—Near-Infrared Spectroscopy

2005 ◽  
Vol 59 (11) ◽  
pp. 1365-1371 ◽  
Author(s):  
Patrick McArdle ◽  
Karen Gilligan ◽  
Desmond Cunningham ◽  
Alan Ryder
Keyword(s):  
Infrared Spectroscopy ◽  
Powder Diffraction ◽  
Density Functional ◽  
Near Infrared ◽  
Nir Spectroscopy ◽  
Attenuated Total Reflectance ◽  
Total Reflectance ◽  
X Ray ◽  
Polymorphic Forms

The pharmaceutical compound bicifadine hydrochloride, which has been found to crystallize in two polymorphic forms, has been characterized by thermal analysis, X-ray powder diffraction (XRPD), infrared (IR) spectroscopy, and near-infrared (NIR) spectroscopy. A series of 22 sample mixtures of polymorph 1 and polymorph 2 were prepared and calibration models for the quantitation of these binary mixtures have been developed for each of the XRPD, attenuated total reflectance (ATR)-IR, and ATR-NIR analytical techniques. The quantitative results were obtained using a partial least squares (PLS) algorithm, which predicted the concentration of polymorph 1 from the XRPD spectra with a root mean standard error of prediction (RMSEP) of 4.4%, from the IR spectra with a RMSEP of 3.8%, and from the NIR spectra with a RMSEP of 1.4%. The studies indicate that when analyses are carried out on equivalent sets of spectra, NIR spectroscopy offers significant advantages in quantitative accuracy as a tool for the determination of polymorphs in the solid state and is also more convenient to use than both the ATR-IR and XRPD methods. Density functional theory (DFT) B3LYP calculations and IR spectral simulation have been used to determine the nature of the vibrational modes that are the most sensitive in the analysis.

Quick determination and discrimination of commercial hand sanitisers using attenuated total reflectance-Fourier transform infrared spectroscopy and chemometrics

2021 ◽  
Vol 13 (13) ◽  
pp. 1601-1611
Author(s):  
Way Koon Teoh ◽  
Noor Zuhartini Md Muslim ◽  
Md Lukmi Ismail ◽  
Kah Haw Chang ◽  
Ahmad Fahmi Lim Abdullah
Keyword(s):  
Fourier Transform ◽  
Infrared Spectroscopy ◽  
Fourier Transform Infrared Spectroscopy ◽  
Fourier Transform Infrared ◽  
Attenuated Total Reflectance ◽  
Forensic Investigation ◽  
Total Reflectance ◽  
Quick Determination

Quick determination and discrimination of commercial hand sanitisers for forensic investigation.

Discrimination of clinically relevant Candida species by Fourier-transform infrared spectroscopy with attenuated total reflectance (FTIR-ATR)

RSC Advances ◽  
2016 ◽  
Vol 6 (94) ◽  
pp. 92065-92072 ◽  
Author(s):  
Sónia Silva ◽  
Flávia Tobaldini-Valerio ◽  
Sofia Costa-de-Oliveira ◽  
Mariana Henriques ◽  
Joana Azeredo ◽  
...  
Keyword(s):  
Fourier Transform ◽  
Infrared Spectroscopy ◽  
Fourier Transform Infrared Spectroscopy ◽  
Species Identification ◽  
Candida Species ◽  
Fourier Transform Infrared ◽  
Attenuated Total Reflectance ◽  
Total Reflectance ◽  
Reflectance Ftir

Accurate Candida species identification remains a challenge due to their phenotypic and genotypic similarity.

Sign in / Sign up

Export Citation Format

Share Document