Application of 2D correlation spectroscopy with MCR in the preparation of glycerol polyesters

Himmelsbach, David S.; Holser, Ronald A.

doi:10.1016/j.vibspec.2009.03.004

Cited by 8 publications

(4 citation statements)

References 19 publications

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“…Himmelsbach and Holser applied MCR and two-dimensional (2D) correlation to IR spectra that were obtained in the course of polymerization of glycerol and adipic acid [11].…”

Section: Introductionmentioning

confidence: 99%

Effect of hydroxypropyl cellulose and hydroxypropyl methylcellulose on carbamazepine polymorphic transformation; attenuated total reflectance-infrared spectroscopy and chemoinformatics analysis

et al. 2015

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The effect of hydroxypropyl cellulose (HPC) and hydroxypropyl methylcellulose (HPMC) on carbamazepine (CBZ) polymorphic transformation has been investigated by an attenuated total reflectance-infrared (ATR-IR) spectroscopy and chemoinformatics. CBZ anhydrate samples were each kneaded with 35.0 μL of pure water, aqueous solution of 0.005 w/v% HPC, or that of 0.005 w/v% HPMC. Each paste was put on a germanium glass of an ATR accessory and was covered with a sheet of Parafilm® at 20 ± 2°C. Measured IR spectra were analyzed by a multivariate curve resolutionalternating least squares (MCR-ALS) and a two-dimensional correlation spectroscopic analysis. Source vectors of MCR-ALS were assigned to CBZ anhydrate and dihydrate. Concentration data of MCR-ALS were evaluated for the kinetics of CBZ polymorphic transformation. The combination of ATR-IR spectroscopy and MCR-ALS is concluded to be useful for the elucidation of rapid polymorphic transformation in suspension. The transformation rate is delayed by HPC and HPMC.

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“…Himmelsbach and Holser applied MCR and two-dimensional (2D) correlation to IR spectra that were obtained in the course of polymerization of glycerol and adipic acid [11].…”

Section: Introductionmentioning

confidence: 99%

Effect of hydroxypropyl cellulose and hydroxypropyl methylcellulose on carbamazepine polymorphic transformation; attenuated total reflectance-infrared spectroscopy and chemoinformatics analysis

et al. 2015

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“…Further refinement of the model by reduction of the spectral region used is possible using techniques such as two-dimensional correlation spectroscopy and multivariate curve resolution [15] [16]. These methods provide a systematic approach to select spectral regions, reduce the number of calculations, and improve the predictive capability of the model [17] [18]. However, the current model is adequate for the determination of normal and high oleic peanut seeds without additional modifications.…”

Section: Resultsmentioning

confidence: 99%

Analysis of Peanut Seed Oil by NIR

Bansod¹,

Thakur²,

Holser³

2015

AJAC

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Near infrared reflectance spectra (NIRS) was collected from Arachis hypogaea seed samples and used in predictive models to rapidly identify varieties with high oleic acid. The method was developed for shelled peanut seeds with intact testa. Spectra was evaluated initially by principal component analysis (PCA) followed by partial least squares (PLS). PCA performed with full spectra and reduced spectra with one principal component accounted for 97% to 99% variability, respectively. The PLS model generated from first derivative spectra provided a standard error of prediction (SEP) of 7.7204808. This technique provides a non-destructive method to rapidly identify high oleic peanut seeds to support the selection and cultivation of high oleic acid peanut varieties. The method can also be useful at peanut processing facilities for screening and quality assessments.

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“…Gilson et al [265] studied time-dependent evolution of acidity in zeolite under steam treatment with 2D IR. Himmelsbach and Hoser [266] studied timedependent IR of condensation reaction between glycerol and adipic acid to produce an alkyd-type polyester. Liu and He [267] analyzed in situ time-dependent diffuse reflectance IR spectra obtained during the heterogeneous reaction of carbonyl sulfide on MgO.…”

Section: Chemical Reactions and Kineticsmentioning

confidence: 99%

“…Zhang et al [258] studied magnetism-dependent IR spectra of copper helical coordination polymer comprising pyridine carboxylic acid and copper ions made by hydrothermal synthesis. Himmelsbach and Hoser [266] studied the time-dependent IR of condensation reaction between glycerol and adipic acid to produce polyester.…”

Section: Synthetic Polymersmentioning

confidence: 99%