scholarly journals Combination of FTIR Spectroscopy and Chemometric Method on Quantitative Approach - A Review

Author(s):  
Verma K ◽  
◽  
Akhtar MJ ◽  
Anchliya A ◽  
◽  
...  

Fourier transform infrared spectroscopy is an effectual and noncritical approach for quantitative study of different types analytes present in pharmaceutical and foodstuffs. The present review describes the basic principles and the instrumentation of FTIR spectroscopy along with its sample preparation techniques, sample handling techniques and advancements. FTIR spectroscopy in combination with chemometrics techniques has been followed over long times. The main objective of this review is to assemble the data linked to application of FTIR spectroscopic and chemometrics techniques for the quantitative study of varieties of analytes like API, adulterants, caffeine, cocaine, lipids, fats & oils, sugar and others. The FTIR spectroscopy with chemometrics techniques proved to be a beneficial methodology for quantitative study to routine analysis of these analytes.

1979 ◽  
Vol 33 (3) ◽  
pp. 283-286 ◽  
Author(s):  
John Strassburger ◽  
I. Trevor Smith

Several operating and sample handling conditions were used to study their effect on spectral subtraction results using Fourier transform infrared spectroscopy. Purge rate, orientation of a heterogeneous sample and sample pathlength were varied to determine under what conditions and to what degree subtraction artifacts can be produced. To some degree, all of the conditions evaluated produced spectral subtraction artifacts although sample pathlength was found to have the greatest effect. Also under certain conditions, concentration differences taken from identical pathlength cells could not be totally nulled by subtraction manipulation.


Molecules ◽  
2020 ◽  
Vol 25 (22) ◽  
pp. 5454
Author(s):  
Iwona Golonka ◽  
Stanisław Wilk ◽  
Witold Musiał

The aim of this study was to assess the photostability of quercetin in the presence of anionic and nonionic polymeric gels with varied compositions of an added component—glycerol. The samples were irradiated continuously at constant temperature. The stability of quercetin in solution and incorporated into the gels was evaluated by an UV-Vis spectrophotometer. FTIR spectroscopy (Fourier-transform infrared spectroscopy) was used to detect the changes in the structure of quercetin depending on the polymer used in the gel, and on the exposure time. Photostabilization is an important aspect of quality assurance in photosensitive compounds. The decomposition rate of quercetin in the ionic preparation of polyacrylic acid (PAA) with glycerol was 1.952·10−3 min−1, whereas the absence of glycerol resulted in a decay rate of 5.032·10−4 min−1. The formulation containing non-ionic methylcellulose resulted in a decomposition rate of quercetin in the range of 1.679·10−3 min−1. The decay rate of quercetin under light influence depended on the composition of the gel. It was found that the cross-linked PAA stabilized quercetin and the addition of glycerol accelerated the photodegradation.


Author(s):  
Alica Bartošová ◽  
Lenka Blinová ◽  
Kristína Gerulová

Abstract Fourier transform infrared (FTIR) spectroscopy was used in this study to identify and determine spectral features of Chromochloris zofingiensis (Dönz) Fucíková et L.A. Lewis (SAG 211-14, Gottingen, Germany), Acutodesmus obliguus (Turpin) Hegewald (SAG 276-1, Gottingen, Germany) and Chlorella sorokiniana (K. Brandt) Pröschold et Darienko (SAG 211-40c, Gottingen, Germany). Polysaccharides and lipids from these three algae species were determined using Fourier Transformed Infrared Spectroscopy (FTIR) with ATR accessory with diamante crystal in spectral range from 400 – 4000 cm−1 and resolution 4.


2012 ◽  
Vol 2012 ◽  
pp. 1-5 ◽  
Author(s):  
G. B. Lebron ◽  
T. L. Tan

The integrated band intensities of ethylene (12C2H4) in the 640–3260 cm−1 region were determined by Fourier transform infrared (FTIR) spectroscopy. The infrared absorbance spectra of the ν7 and ν10, ν12, ν7+ν8, ν6+ν10, v11, and ν9 and ν2+ν12 bands of ethylene recorded at a resolution of 0.5 cm−1 were measured at an ambient temperature of 296 K at various vapor pressures ranging from 3×10−5 to 1×10−3 atm to obtain respective Beer-Lambert's law plots. The measured integrated band intensities in cm−1/cm atm were S(ν9andν2+ν12)=112.20±0.24, S(ν11)=55.35±0.14, S(ν12)=41.22±0.30, and S(ν7andν10)=328.66±16.55. In addition, the measured infrared band intensities of the ν7+ν8 and ν6+ν10 combination bands of ethylene are reported for the first time: S(ν7+ν8)=21.701±0.028 cm−1/cm atm and S(ν6+ν10)=2.568±0.025 cm−1/cm atm.


2012 ◽  
Vol 548 ◽  
pp. 77-81
Author(s):  
Jia Hua Ma ◽  
Cheng Jia Tan ◽  
Xia Deng ◽  
Chao Xin

Preparation techniques of chitosan from Catharsius molossus L. processing discards were studied by orthogonal design. Preparation techniques were as follows:demineralizing: soaked for 30 min at 80 °C with 1.3 mol•L-1 HCl, then kept for 12 h under room temperature. Deproteinization and delipidation: treated for 6 h at 90 °C with 4 mol•L-1 NaOH. Decolorizing: soaked at room temperature with 3% KMnO4, then treated with 2% oxalic acid at 70 °C. Deacetylation: treated for 6 h at 110 °Cwith 14 mol•L-1 NaOH. Properties of chitosan were characterized by Fourier transform infrared spectroscopy(FTIR), X-ray diffraction (XRD), etc. It proved the technique was stable and feasible. The result also preliminarily showed that chitosan from Catharsius molossus L. was better than shrimp’s. It will be widely applicated in biomedical and other industrial areas with such exiciting properties.


2015 ◽  
Vol 2015 ◽  
pp. 1-6 ◽  
Author(s):  
Syazwani Ramli ◽  
Rosnita A. Talib ◽  
Russly A. Rahman ◽  
Norhazlin Zainuddin ◽  
Siti Hajar Othman ◽  
...  

Fourier transform infrared (FTIR) spectroscopy combined with chemometrics was utilised to discriminate the presence of lard in extracted ink of printed food packaging. Two spectral regions (full spectra, 3999–649 cm−1, and combination of two regions, 3110–2630 cm−1and 1940–649 cm−1) of lard, commercial gravure ink, and the blends of both were selected and used to develop a Soft Independent Modelling of Class Analogy (SIMCA) model. The score plots obtained from the Principal Component Analysis (PCA) revealed that the maximum number of factors (7 factors) was needed to explain 84% of the total variance. SIMCA was employed as the method to classify the samples into their specific groups.SiversusHiplots showed that the calibration standards can be classified as lard-containing standards. Sample 2 was deduced to have the highest possibility of containing lard, while only samples 5 and 7 cannot be classified as lard-containing samples. These results demonstrated that FTIR spectroscopy, when combined with multivariate analysis, can provide a rapid method with no excessive sample preparation to detect the presence of lard in ink of foodstuff packaging.


2019 ◽  
Vol 17 (july 2019) ◽  
pp. 1-13
Author(s):  
Farah Wahida Harun

The presence of lard in food products is prohibited (haram) for Muslim and a few other religions i.e. Judaism and Hinduism. Due to the advantages of lard such as easily available, cheap and able to produce better quality of food products, the adulteration of food products with lard has become a serious issue. The complex composition of food products and similar properties of lard as an adulterant make identification of food adulterations a big challenge. Chemical analysis is one way to authenticate the halal status of the food products which is based on the specific markers present or absent in the products they contain. This article highlights on the use ofFourier transform infrared (FTIR) spectroscopy to determine the presence of lard combined with multivariate analysis. This technique also able to quantify the amount of lard in the food products that are claimed to be halal.


2020 ◽  
pp. 000370282096806
Author(s):  
Robert Stach ◽  
Teresa Barone ◽  
Emanuele Cauda ◽  
Boris Mizaikoff

The exposure of mining workers to crystalline particles, e.g., alpha quartz in respirable dust, is a ubiquitous global problem in occupational safety and health at surface and underground operations. The challenge of rapid in-field monitoring for direct assessment and adoption of intervention has not been solved satisfactorily to date, as conventional analytical methods such as X-ray diffraction and infrared spectroscopy require laboratory environments, complex system handling, tedious sample preparation, and are limited by, e.g., addressable particle size. A novel monitoring approach was developed for potential in-field application enabling the quantification of crystalline particles in the respirable regime based on transmission infrared spectroscopy. This on-site approach analyzes samples of dust in ambient air collected onto PVC filters using respirable dust sampling devices. In the present study, we demonstrate that portable Fourier transform infrared (FT-IR) spectroscopy in combination with multivariate data analysis provides a versatile tool for the identification and quantification of minerals in complex real-world matrices. Without further sample preparation, the loaded filters are immediately analyzed via transmission infrared spectroscopy, and the mineral amount is quantified in real-time using a partial least squares regression algorithm. Due to the inherent molecular selectivity for crystalline as well as organic matrix components, infrared spectroscopy uniquely allows to precisely determine the particle composition even in complex samples such as dust from coal mines or clay-rich environments. For establishing a robust partial least squares regression model, a method was developed for generating calibration samples representative in size and composition for respirable mine dust via aerodynamic size separation. Combined with experimental design strategies, this allows tailoring the calibration set to the demands of air quality management in underground mining scenarios, i.e., the respirable particle size regime and the matrix of the target analyte.


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