Vibrational Spectroscopy for Identification of Metabolites in Biologic Samples

Hackshaw, Kevin V.; Miller, Joseph S.; Aykas, Didem Peren; Rodríguez-Saona, Luis E.

doi:10.3390/molecules25204725

Cited by 51 publications

(36 citation statements)

References 147 publications

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“…A spectral shift from 1289 cm −1 in the healthy group to 1284 cm −1 in CCA, HCC and BD was observed, which indicated an alteration of collagen molecules. A shoulder at ~1106 and ~1046 cm −1 was found in the healthy group assigned to the C-O stretching and bending vibration in the C-OH group of carbohydrate (Figure 1c) [19].…”

Section: Characteristic Peaks Of Healthy Cca Hcc and Bd Spectramentioning

confidence: 99%

Detection of Human Cholangiocarcinoma Markers in Serum Using Infrared Spectroscopy

Chatchawal

Wongwattanakul

Tippayawat

et al. 2021

Cancers

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Cholangiocarcinoma (CCA) is a malignancy of the bile duct epithelium. Opisthorchis viverrini infection is a known high-risk factor for CCA and in found, predominantly, in Northeast Thailand. The silent disease development and ineffective diagnosis have led to late-stage detection and reduction in the survival rate. Attenuated total reflectance-Fourier transform infrared spectroscopy (ATR-FTIR) is currently being explored as a diagnostic tool in medicine. In this study, we apply ATR-FTIR to discriminate CCA sera from hepatocellular carcinoma (HCC), biliary disease (BD) and healthy donors using a multivariate analysis. Spectral markers differing from healthy ones are observed in the collagen band at 1284, 1339 and 1035 cm−1, the phosphate band () at 1073 cm−1, the polysaccharides band at 1152 cm−1 and 1747 cm−1 of lipid ester carbonyl. A Principal Component Analysis (PCA) shows discrimination between CCA and healthy sera using the 1400–1000 cm−1 region and the combined 1800—1700 + 1400–1000 cm−1 region. Partial Least Square-Discriminant Analysis (PLS-DA) scores plots in four of five regions investigated, namely, the 1400–1000 cm−1, 1800–1000 cm−1, 3000–2800 + 1800–1000 cm−1 and 1800–1700 + 1400–1000 cm−1 regions, show discrimination between sera from CCA and healthy volunteers. It was not possible to separate CCA from HCC and BD by PCA and PLS-DA. CCA spectral modelling is established using the PLS-DA, Support Vector Machine (SVM), Random Forest (RF) and Neural Network (NN). The best model is the NN, which achieved a sensitivity of 80–100% and a specificity between 83 and 100% for CCA, depending on the spectral window used to model the spectra. This study demonstrates the potential of ATR-FTIR spectroscopy and spectral modelling as an additional tool to discriminate CCA from other conditions.

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Section: Characteristic Peaks Of Healthy Cca Hcc and Bd Spectramentioning

confidence: 99%

Detection of Human Cholangiocarcinoma Markers in Serum Using Infrared Spectroscopy

Chatchawal

Wongwattanakul

Tippayawat

et al. 2021

Cancers

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“…IRMS-C is being increasingly used in a wide range of medical areas. [84,86,87]. Additional details of the methodology are found in prior publications [83,87,88].…”

Section: Metabolomics and Metabolic Fingerprintingmentioning

confidence: 99%

“…[84,86,87]. Additional details of the methodology are found in prior publications [83,87,88]. Hackshaw and colleagues were the first group to utilize this vibrational spectroscopy technology in FM.…”

Section: Metabolomics and Metabolic Fingerprintingmentioning

confidence: 99%

The Search for Biomarkers in Fibromyalgia

Hackshaw

2021

Diagnostics

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Fibromyalgia is the most common of the central sensitivity syndromes affecting 2–5% of the adult population in the United States. This pain amplification syndrome has enormous societal impact as measured by work absenteeism, decreased work productivity, disability and injury compensation and over-utilization of healthcare resources. Multiple studies have shown that early diagnosis of this condition can improve patient outlook and redirect valuable healthcare resources towards more appropriate targeted therapy. Efforts have been made towards improving diagnostic accuracy through updated criteria. The search for biomarkers for diagnosis and verification of Fibromyalgia is an ongoing process. Inadequacies with current diagnostic criteria for this condition have fueled these efforts for identification of a reproducible marker that can verify this disease in a highly sensitive, specific and reproducible manner. This review focuses on areas of research for biomarkers in fibromyalgia and suggests that future efforts might benefit from approaches that utilize arrays of biomarkers to identify this disorder that presents with a diverse clinical phenotype.

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“…Gallic acid (hydroxybenzoic acid) and caffeic acid (carboxylic acid) are both present in Greco di Tufo leaf extracts [34]. The aromatic ring with six carbon atoms has links (C=C) which generate bands between 1625 and 1430 cm −1 [35] and that in our case could correspond to the peak at 1608 cm −1 of the ethanol extract and the peak at 1606 cm −1 of the MetOH:H 2 O (70:30) and H 2 O extracts. Variations in the vibration frequencies of these bands have been reported by Abbas et al (2017) [36] and could be due to the ortho-, meta-, and para-position of the substituents.…”

Section: Microwave-assisted Extractionmentioning

confidence: 99%

Exploitation and Valorization of Agro-Food Wastes from Grape Harvesting: Production, Characterization of MAE-Extracts from Vitis vinifera Leaves and Stabilization in Microparticulate Powder Form

et al. 2021

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Grape harvesting generates a high amount of wastes, mostly leaves, which represent an economic and ecological problem for farmers. New products can be generated through these wastes, giving environmental, social, and economic advantages while also meeting the industry demand for novel natural ingredients. In this study, aqueous leaf-extracts from two cultivars of Vitis vinifera Aglianico (Agl) and Greco di Tufo (Gre) were produced by microwave-assisted extraction (MAE) and evaluated in composition by ATR- FTIR and HPLC to identify the main phenolic compounds, especially quercetin and kaempferol. The results showed that leaves extracts confirm to be a potential source of phenolic compounds. Dry extracts, although highly functional, show critical handling characteristics, being sticky and unstable in normal post-processing conditions. A stable and easy handling microparticulate ingredient was produced by spray drying containing the most phenolic-rich obtained extract (AGL-28). The microparticle powder form based on pectin/maltodextrin matrix was produced with high process efficiency. The microstructures were able to confer functional and chemical stability to the extract while also showing good technological characteristics (high water dissolution rate and flow properties), transforming the extract into a handling ingredient able to meet new industrial uses.

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Vibrational Spectroscopy for Identification of Metabolites in Biologic Samples

Cited by 51 publications

References 147 publications

Detection of Human Cholangiocarcinoma Markers in Serum Using Infrared Spectroscopy

Detection of Human Cholangiocarcinoma Markers in Serum Using Infrared Spectroscopy

The Search for Biomarkers in Fibromyalgia

Exploitation and Valorization of Agro-Food Wastes from Grape Harvesting: Production, Characterization of MAE-Extracts from Vitis vinifera Leaves and Stabilization in Microparticulate Powder Form

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