Species and Geographical Origins Discrimination of Porcini Mushrooms Based on FT‐IR Spectroscopy and Mineral Elements Combined with Sparse Partial Least Square‐Discriminant Analysis

2019 ◽  
Vol 84 (8) ◽  
pp. 2112-2120 ◽  
Author(s):  
Ye Wang ◽  
Jie Li ◽  
Honggao Liu ◽  
Maopan Fan ◽  
Yuanzhong Wang
Keyword(s):  
Discriminant Analysis ◽  
Ir Spectroscopy ◽  
Mineral Elements ◽  
Partial Least Square ◽  
Least Square ◽  
Ft Ir ◽  
Ft Ir Spectroscopy

scholarly journals Sensitivity and Calibration of the FT-IR Spectroscopy on Concentration of Heavy Metal Ions in River and Borehole Water Sources

2020 ◽  
Vol 10 (21) ◽  
pp. 7785
Author(s):  
Matthew Mamera ◽  
Johan J. van Tol ◽  
Makhosazana P. Aghoghovwia ◽  
Elmarie Kotze
Keyword(s):  
Heavy Metals ◽  
Heavy Metal ◽  
Ir Spectroscopy ◽  
Water Sources ◽  
Partial Least Square ◽  
Least Square ◽  
Borehole Water ◽  
Ft Ir ◽  
Ir Calibration ◽  
Ft Ir Spectroscopy

Heavy metals in water sources can threaten human life and the environment. The analysis time, need for chemical reagents, and sample amount per analysis assist in monitoring contaminants. Application of the Fourier Transform Infrared (FT-IR) Spectroscopy for the investigation of heavy metal elements has significantly developed due to its cost effectiveness and accuracy. Use of chemometric models such as Partial Least Square (PLS) and Principle Component Regression Analysis (PCA) relate the multiple spectral intensities from numerous calibration samples to the recognized analytes. This study focused on the FT-IR calibration and quantification of heavy metals (Ag, Cd, Cu, Pb and Zn) in surveyed water sources. FT-IR measurements were compared with the atomic absorption spectrometer (AAS) measurements. Quantitative analysis methods, PCA and PLS, were used in the FT-IR calibration. The spectral analyses were done using the Attenuated Total Reflectance (ATR-FTIR) technique on three river and four borehole water sources sampled within two seasons in QwaQwa, South Africa (SA). The PLS models had good R2 values ranging from 0.95 to 1 and the PCA models ranged from 0.98 to 0.99. Significant differences were seen at 0.001 and 0.05 levels between the PLS and PCA models for detecting Cd and Pb in the water samples. The PCA models detected Ag concentrations more (˂0 mg L−1 on selected sites). Both the PLS and PCA models had lower detection only for Zn ions mostly above 45 mg L−1 deviating from the AAS measurements (<0.020 mg L−1). The FT-IR spectroscopy demonstrated good potential for heavy metal determination purposes.

scholarly journals Detection of Additives and Chemical Contaminants in Turmeric Powder Using FT-IR Spectroscopy

Foods ◽  
2019 ◽  
Vol 8 (5) ◽  
pp. 143 ◽  
Author(s):  
Sagar Dhakal ◽  
Walter F. Schmidt ◽  
Moon Kim ◽  
Xiuying Tang ◽  
Yankun Peng ◽  
...  
Keyword(s):  
Ir Spectroscopy ◽  
Curcuma Longa ◽  
Partial Least Square ◽  
Least Square ◽  
Partial Least Square Regression ◽  
Coefficient Of Determination ◽  
Pure Compounds ◽  
Ft Ir ◽  
Mixed Samples ◽  
Ft Ir Spectroscopy

Yellow turmeric (Curcuma longa) is widely used for culinary and medicinal purposes, and as a dietary supplement. Due to the commercial popularity of C. longa, economic adulteration and contamination with botanical additives and chemical substances has increased. This study used FT-IR spectroscopy for identifying and estimating white turmeric (Curcuma zedoaria), and Sudan Red G dye mixed with yellow turmeric powder. Fifty replicates of yellow turmeric—Sudan Red mixed samples (1%, 5%, 10%, 15%, 20%, 25% Sudan Red, w/w) and fifty replicates of yellow turmeric—white turmeric mixed samples (10%, 20%, 30%, 40%, 50% white turmeric, w/w) were prepared. The IR spectra of the pure compounds and mixtures were analyzed. The 748 cm−1 Sudan Red peak and the 1078 cm−1 white turmeric peak were used as spectral fingerprints. A partial least square regression (PLSR) model was developed for each mixture type to estimate adulteration concentrations. The coefficient of determination (R2v) for the Sudan Red mixture model was 0.97 with a root mean square error of prediction (RMSEP) equal to 1.3%. R2v and RMSEP for the white turmeric model were 0.95 and 3.0%, respectively. Our results indicate that the method developed in this study can be used to identify and quantify yellow turmeric powder adulteration.

scholarly journals Diagnosis of Gastric Inflammation and Malignancy in Endoscopic Biopsies Based on Fourier Transform Infrared Spectroscopy

2005 ◽  
Vol 51 (2) ◽  
pp. 346-350 ◽  
Author(s):  
Qing-Bo Li ◽  
Xue-Jun Sun ◽  
Yi-Zhuang Xu ◽  
Li-Min Yang ◽  
Yuan-Fu Zhang ◽  
...  
Keyword(s):  
Fourier Transform ◽  
Discriminant Analysis ◽  
Ir Spectroscopy ◽  
Atrophic Gastritis ◽  
Fourier Transform Infrared ◽  
Healthy Tissue ◽  
Endoscopic Biopsies ◽  
Ft Ir ◽  
Gastric Biopsies ◽  
Ft Ir Spectroscopy

Abstract Background: Fourier transform infrared (FT-IR) spectroscopy is an effective tool for investigation of chemical changes at the molecular level. We previously demonstrated that FT-IR spectroscopy can reliably distinguish multiple types of carcinoma from healthy tissue. Because various stomach diseases are common, it is important to explore a noninvasive and rapid method to detect malignancy and gastritis in endoscopic biopsies. Our aim was to classify endoscopic biopsies into healthy, gastritis, and malignancy through the use of FT-IR spectroscopy. Methods: A total of 103 endoscopic samples, including 19 cases of cancer, 35 cases of chronic atrophic gastritis, 29 cases of chronic superficial gastritis, and 20 healthy tissue samples, were obtained at the First Hospital of Xi’an Jiaotong University, China. A modified attenuated total reflectance accessory was linked to a WQD-500 FT-IR spectrometer for biopsy measurement. The spectral characteristics for different types of tissues were correlated with the corresponding pathology results. The gastric biopsies were classified by FT-IR spectroscopy and a discriminant analysis method. Results: There were significant differences in the FT-IR spectra of four types of gastric biopsies. The discriminant analysis results demonstrated that the sensitivity of FT-IR detection for healthy, superficial gastritis, atrophic gastritis, and gastric cancer was 90%, 90%, 66%, 74%, respectively, which could help satisfy clinical diagnostic requirements. Conclusion: FT-IR spectroscopy can distinguish disease processes in gastric endoscopic biopsies.

scholarly journals The Use of Fourier Transform Infrared Spectroscopy for Quantification of Adulteration in Virgin Walnut Oil

2013 ◽  
Vol 2013 ◽  
pp. 1-6 ◽  
Author(s):  
Pengjuan Liang ◽  
Hao Wang ◽  
Chaoyin Chen ◽  
Feng Ge ◽  
Diqiu Liu ◽  
...  
Keyword(s):  
Fourier Transform ◽  
Seed Oil ◽  
Fourier Transform Infrared ◽  
Partial Least Square ◽  
Least Square ◽  
Attenuated Total Reflectance ◽  
Walnut Oil ◽  
Tea Seed Oil ◽  
Ft Ir ◽  
Ft Ir Spectroscopy

Currently, the authentication of virgin walnut oil (VWO) has become very important due to the possible adulteration of VWO with cheaper plant oils such as soybean oil (SO), puer tea seed oil (PO), and sunflower oil (SFO). Methods involving Fourier transform infrared (FT-IR) spectroscopy combined with chemometric techniques (partial least square) were developed for quantification of SO, PO, and SFO in VWO. IR spectra of oil samples were recorded at frequency regions of 4000–650 cm−1on horizontal attenuated total reflectance (HATR) attachment of FT-IR. PLS model correlates the actual and FT-IR estimated values of oil adulterants (SO, PO, and SFO) with coefficients of determination (R2) of 0.9958, 0.9925, and 0.9952, respectively. The obtained RMSEC values of SO, PO, and SFO in VWO are 1.35%, 1.85%, and 1.43% (v/v), respectively. The method, therefore, has potential as a rapid method for quantification of product adulteration.

Differentiation of Different Mixed Listeria Strains and Also Acid-Injured, Heat-Injured, and Repaired Cells of Listeria monocytogenes Using Fourier Transform Infrared Spectroscopy

2015 ◽  
Vol 78 (3) ◽  
pp. 540-548 ◽  
Author(s):  
ESMOND NYARKO ◽  
CATHERINE DONNELLY
Keyword(s):  
Fourier Transform ◽  
Listeria Monocytogenes ◽  
Discriminant Analysis ◽  
Ir Spectroscopy ◽  
Wavelength Region ◽  
Fourier Transform Infrared ◽  
Intact Cells ◽  
Ft Ir ◽  
The Individual ◽  
Ft Ir Spectroscopy

Fourier transform infrared (FT-IR) spectroscopy was used to differentiate mixed strains of Listeria monocytogenes and mixed strains of L. monocytogenes and Listeria innocua. FT-IR spectroscopy was also applied to investigate the hypothesis that heat-injured and acid-injured cells would return to their original physiological integrity following repair. Thin smears of cells on infrared slides were prepared from cultures for mixed strains of L. monocytogenes, mixed strains of L. monocytogenes and L. innocua, and each individual strain. Heat-injured and acid-injured cells were prepared by exposing harvested cells of L. monocytogenes strain R2-764 to a temperature of 56 ± 0.2°C for 10 min or lactic acid at pH 3 for 60 min, respectively. Cellular repair involved incubating aliquots of acid-injured and heat-injured cells separately in Trypticase soy broth supplemented with 0.6% yeast extract for 22 to 24 h; bacterial thin smears on infrared slides were prepared for each treatment. Spectral collection was done using 250 scans at a resolution of 4 cm−1 in the mid-infrared wavelength region. Application of multivariate discriminant analysis to the wavelength region from 1,800 to 900 cm−1 separated the individual L. monocytogenes strains. Mixed strains of L. monocytogenes and L. monocytogenes cocultured with L. innocua were successfully differentiated from the individual strains when the discriminant analysis was applied. Different mixed strains of L. monocytogenes were also successfully separated when the discriminant analysis was applied. A data set for injury and repair analysis resulted in the separation of acid-injured, heat-injured, and intact cells; repaired cells clustered closer to intact cells when the discriminant analysis (1,800 to 600 cm−1) was applied. FT-IR spectroscopy can be used for the rapid source tracking of L. monocytogenes strains because it can differentiate between different mixed strains and individual strains of the pathogen.

scholarly journals Discrimination of Enterobacterial Repetitive Intergenic Consensus PCR Types of Campylobacter coli and Campylobacter jejuni by Fourier Transform Infrared Spectroscopy

2005 ◽  
Vol 71 (8) ◽  
pp. 4318-4324 ◽  
Author(s):  
D. J. M. Mouwen ◽  
M. J. B. M. Weijtens ◽  
R. Capita ◽  
C. Alonso-Calleja ◽  
M. Prieto
Keyword(s):  
Fourier Transform ◽  
Infrared Spectroscopy ◽  
Discriminant Analysis ◽  
Ir Spectroscopy ◽  
Fourier Transform Infrared Spectroscopy ◽  
Campylobacter Jejuni ◽  
Campylobacter Coli ◽  
Enterobacterial Repetitive Intergenic Consensus ◽  
Ft Ir ◽  
Ft Ir Spectroscopy

ABSTRACT Fourier transform infrared spectroscopy (FT-IR) has been used together with pattern recognition methodology to study isolates belonging to the species Campylobacter coli and Campylobacter jejuni and to compare FT-IR typing schemes with established genomic profiles based on enterobacterial repetitive intergenic consensus PCR (ERIC-PCR). Seventeen isolates were cultivated under standardized conditions for 2, 3, and 4 days to study variability and improve reproducibility. ERIC-PCR profiles and FT-IR spectra were obtained from strains belonging to the species Campylobacter coli and C. jejuni, normalized, and explored by hierarchical clustering and stepwise discriminant analysis. Strains could be differentiated by using mainly the first-derivative FT-IR spectral range, 1,200 to 900 cm−1 (described as the carbohydrate region). The reproducibility index varied depending on the ages of the cultures and on the spectral ranges investigated. Classification obtained by FT-IR spectroscopy provided valuable taxonomic information and was mostly in agreement with data from the genotypic method, ERIC-PCR. The classification functions obtained from the discriminant analysis allowed the identification of 98.72% of isolates from the validation set. FT-IR can serve as a valuable tool in the classification, identification, and typing of thermophilic Campylobacter isolates, and a number of types can be differentiated by means of FT-IR spectroscopy.

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