Highly Sensitive Real-Time Isotopic Quantification of Water by ATR-FTIR

Provis-Evans, Cei; Farrar, Elliot H. E.; Grayson, Matthew N.; Webster, Ruth L.; Hill, Alfred

doi:10.1021/acs.analchem.9b05635

Cited by 6 publications

(5 citation statements)

References 36 publications

(54 reference statements)

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“…Finally, we evaluated local baseline subtraction, as it is often used as a standard data-processing step in FTIR-based quantification [ 7 , 14 ]. We compared the AUC values for both CH and C=O regions, with and without local baseline subtraction, calculated using the trapezoid area formula detailed in Methods Section 2.8 .…”

Section: Resultsmentioning

confidence: 99%

“…Our evaluation of lipid quantification by FTIR highlights a detrimental impact of baseline subtraction on the CH region AUC, which we determined to be more accurate than the alternative C=O peak. Baseline subtraction is also referred to as baseline correction, or anchoring, and can be a default parameter in FTIR spectral processing software [ 7 , 14 ]. While useful in some applications, quantification of peaks in complex mixtures with overlapping spectra faces augmentation of the local baseline absorbance.…”

Section: Discussionmentioning

confidence: 99%

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Rapid Assessment of Lipidomics Sample Purity and Quantity Using Fourier-Transform Infrared Spectroscopy

et al. 2022

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Despite the increasing popularity of liquid chromatography–mass spectrometry (LC-MS)-based lipidomics, there is a lack of accepted and validated methods for lipid extract quality and quantity assessment prior to LC-MS. Fourier-Transform Infrared Spectroscopy (FTIR) has been reported for quantification of pure lipids. However, the impact of complex lipid sample complexity and purity on total lipid quantification accuracy has not been investigated. Here, we report comprehensive assessment of the sample matrix on the accuracy of lipid quantification using Attenuated Total Reflectance (ATR)-FTIR and establish a simple workflow for lipidomics sample quantification. We show that both pure and complex lipids show characteristic FTIR vibrations of CH- and C=O-stretching vibrations, with a quantitative range of 40–3000 ng and a limit of detection of 12 ng, but sample extraction method and local baseline subtraction during FTIR spectral processing significantly impact lipid quantification via CH stretching. To facilitate sample quality screening, we developed the Lipid Quality (LiQ) score from a spectral library of common contaminants, using a ratio of peak heights between CH stretching vibrations maxima and the collective vibrations from amide/amine, CH-stretching minima and sugar moieties. Taking all tested parameters together, we propose a rapid FTIR workflow for routine lipidomics sample quality and quantity assessment and tested this workflow by comparing to the total LC-MS intensity of targeted lipidomics of 107 human plasma lipid extracts. Exclusion of poor-quality samples based on LiQ score improved the correlation between FTIR and LC-MS quantification. The uncertainty of absolute quantification by FTIR was estimated using a 795 ng SPLASH LipidoMix standard to be <10%. With low sample requirement, we anticipate this simple and rapid method will enhance lipidomics workflow by enabling accurate total lipid quantification and normalization of lipid quantity for MS analysis.

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Section: Resultsmentioning

confidence: 99%

Section: Discussionmentioning

confidence: 99%

Rapid Assessment of Lipidomics Sample Purity and Quantity Using Fourier-Transform Infrared Spectroscopy

et al. 2022

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“…To avoid overlap with a strong IR absorption peak (1635 cm -1 ) [22] of water used as a solvent, deuterium oxide (D 2 O) is employed as the continuous phase. The absorption peak corresponding to the scissors-bending mode of D-O-D shifts to a lower wavenumber (1200 cm -1 ) [23] and does not overlap with the characteristic signal. Figure 1E shows the brightfield and the heat map images of uncrosslinked and crosslinked AESO droplets (0.4 wt.% photoinitiator, 2 min UV exposure).…”

Section: Principle and Polymerization Of The Aeso Dropletsmentioning

confidence: 97%

Shaping, Degradation And Drug Release Of Biosourced Particles Made From Acrylated Vegetable Oils

HU,

LU,

LACOUR

et al. 2024

Preprint

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The widespread employment of petroleum-based polymers is the cause of unsolved environmental problems, such as the pollution by microplastics. In this context, biodegradable plastics have attracted attention as new materials that can replace conventional ones in certain applications, especially those made from renewable resources such as acrylated epoxidized soybean oil (AESO). While AESO has been shown to be used efficiently as a plasticizer or coating material, we show here that it can be used to make microparticles of simple and sophisticated shapes, including core-shell structures, using bulk shearing or microfluidic techniques. After characterizing the polymerization conditions, we show that these particles are degradable in mild chemical or enzymatic conditions, and that they can encapsulate fluorescent probes or hydrophobic molecules of therapeutic interest. Finally, we show that they can release these molecules using a well defined mechanism in simulated digestion fluids.

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“…Finally, we evaluated local baseline subtraction as it is often used as a standard data processing step in FTIR-based quantification [16,17]. Surprisingly, quantification in both the CH and C=O regions was less effective when baseline subtraction was employed, resulting in significantly different AUC values between TBME and other extractions (Figure 1D).…”

Section: Impact Of Lipid Sample Purity On Atr-ftir Spectra -Compariso...mentioning

confidence: 99%

“…Our evaluation of lipid quantification by FTIR highlights a detrimental impact of baseline subtraction on the CH region AUC, which we determined to be more accurate than the alternative C=O peak. Baseline subtraction is also referred to as baseline correction, or anchoring, and can be a default parameter in FTIR spectral processing software [16,17]. While useful in some applications, quantification of peaks in complex mixtures with overlapping spectra faces augmentation of the local baseline absorbance.…”

Section: Figurementioning

confidence: 99%

Rapid Assessment of Lipidomics Sample Purity and Quantity Using Fourier-Transform Infrared Spectroscopy

Robinson¹,

Molendijk²,

Shah³

et al. 2022

Preprint

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Despite the increasing popularity of liquid chromatography-mass spectrometry (LC-MS)-based lipidomics, there is a lack of accepted and validated method for lipid extract quality and quantity assessment prior to LC-MS. Fourier-Transform Infrared Spectroscopy (FTIR) has been reported for quantification of pure lipids, however, the sample complexity and purity complex lipid extract quantification in lipidomics experiments could be impact quantification accuracy. Here, we report comprehensive assessment of the sample matrix on the accuracy of lipid quantification using Attenuated Total Reflectance Fourier-Transform Infrared Spectroscopy (ATR-FTIR). Pure lipids are characterized by CH-and C=O-stretching vibrations on FTIR, with quantitative range of 40–3000 ng and a limit of detection of 12 ng. Sample extraction method and local baseline subtraction during FTIR spectral processing significantly impact lipid quantification by CH-stretching. To facilitate sample quality screening, we developed the Lipid Quality (LiQ) score from a spectral library of common contaminants, using a ratio of peak heights between CH-stretching vibrations maxima and the collective vibrations from amide/amine, CH-stretching minima and sugar moieties. We evaluated LiQ score as a rapid sample quality control method by comparing to total LC-MS intensity of targeted lipidomics of 107 human plasma lipid extracts. Exclusion of poor-quality samples based on LiQ score improved the correlation between FTIR and LC-MS quantification. Finally, the uncertainty of absolute quantification by FTIR was estimated using a 795 ng SPLASH LipidoMix standard to be &lt;10%. In summary, this study identified key parameters for accurate FTIR-based quantification of complex lipid mixture, and developed a rapid workflow requiring only 1 µL of MS-ready sample and &lt; 5 minutes for routine lipidomics sample quality and quantity assessment.

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Highly Sensitive Real-Time Isotopic Quantification of Water by ATR-FTIR

Cited by 6 publications

References 36 publications

Rapid Assessment of Lipidomics Sample Purity and Quantity Using Fourier-Transform Infrared Spectroscopy

Rapid Assessment of Lipidomics Sample Purity and Quantity Using Fourier-Transform Infrared Spectroscopy

Shaping, Degradation And Drug Release Of Biosourced Particles Made From Acrylated Vegetable Oils

Rapid Assessment of Lipidomics Sample Purity and Quantity Using Fourier-Transform Infrared Spectroscopy

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