A Combined Near-Infrared and Mid-Infrared Spectroscopic Approach for the Detection and Quantification of Glycine in Human Serum
Serum is an important candidate in proteomics analysis as it potentially carries key markers on health status and disease progression. However, several important diagnostic markers found in the circulatory proteome and the low-molecular-weight (LMW) peptidome have become analytically challenging due...
| Main Authors: | , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2022-06-01
|
| Series: | Sensors |
| Subjects: | |
| Online Access: | https://www.mdpi.com/1424-8220/22/12/4528 |
| _version_ | 1827656667420950528 |
|---|---|
| author | Thulya Chakkumpulakkal Puthan Veettil Bayden R. Wood |
| author_facet | Thulya Chakkumpulakkal Puthan Veettil Bayden R. Wood |
| author_sort | Thulya Chakkumpulakkal Puthan Veettil |
| collection | DOAJ |
| description | Serum is an important candidate in proteomics analysis as it potentially carries key markers on health status and disease progression. However, several important diagnostic markers found in the circulatory proteome and the low-molecular-weight (LMW) peptidome have become analytically challenging due to the high dynamic concentration range of the constituent protein/peptide species in serum. Herein, we propose a novel approach to improve the limit of detection (LoD) of LMW amino acids by combining mid-IR (MIR) and near-IR spectroscopic data using glycine as a model LMW analyte. This is the first example of near-IR spectroscopy applied to elucidate the detection limit of LMW components in serum; moreover, it is the first study of its kind to combine mid-infrared (25–2.5 μm) and near-infrared (2500–800 nm) to detect an analyte in serum. First, we evaluated the prediction model performance individually with MIR (ATR-FTIR) and NIR spectroscopic methods using partial least squares regression (PLS-R) analysis. The LoD was found to be 0.26 mg/mL with ATR spectroscopy and 0.22 mg/mL with NIR spectroscopy. Secondly, we examined the ability of combined spectral regions to enhance the detection limit of serum-based LMW amino acids. Supervised extended wavelength PLS-R resulted in a root mean square error of prediction (RMSEP) value of 0.303 mg/mL and R<sup>2</sup> value of 0.999 over a concentration range of 0–50 mg/mL for glycine spiked in whole serum. The LoD improved to 0.17 mg/mL from 0.26 mg/mL. Thus, the combination of NIR and mid-IR spectroscopy can improve the limit of detection for an LMW compound in a complex serum matrix. |
| first_indexed | 2024-03-09T22:31:34Z |
| format | Article |
| id | doaj.art-1621d836f20a48feb2e0a26840843689 |
| institution | Directory Open Access Journal |
| issn | 1424-8220 |
| language | English |
| last_indexed | 2024-03-09T22:31:34Z |
| publishDate | 2022-06-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Sensors |
| spelling | doaj.art-1621d836f20a48feb2e0a268408436892023-11-23T18:54:51ZengMDPI AGSensors1424-82202022-06-012212452810.3390/s22124528A Combined Near-Infrared and Mid-Infrared Spectroscopic Approach for the Detection and Quantification of Glycine in Human SerumThulya Chakkumpulakkal Puthan Veettil0Bayden R. Wood1Centre for Biospectroscopy, Monash University, Clayton, VIC 3800, AustraliaCentre for Biospectroscopy, Monash University, Clayton, VIC 3800, AustraliaSerum is an important candidate in proteomics analysis as it potentially carries key markers on health status and disease progression. However, several important diagnostic markers found in the circulatory proteome and the low-molecular-weight (LMW) peptidome have become analytically challenging due to the high dynamic concentration range of the constituent protein/peptide species in serum. Herein, we propose a novel approach to improve the limit of detection (LoD) of LMW amino acids by combining mid-IR (MIR) and near-IR spectroscopic data using glycine as a model LMW analyte. This is the first example of near-IR spectroscopy applied to elucidate the detection limit of LMW components in serum; moreover, it is the first study of its kind to combine mid-infrared (25–2.5 μm) and near-infrared (2500–800 nm) to detect an analyte in serum. First, we evaluated the prediction model performance individually with MIR (ATR-FTIR) and NIR spectroscopic methods using partial least squares regression (PLS-R) analysis. The LoD was found to be 0.26 mg/mL with ATR spectroscopy and 0.22 mg/mL with NIR spectroscopy. Secondly, we examined the ability of combined spectral regions to enhance the detection limit of serum-based LMW amino acids. Supervised extended wavelength PLS-R resulted in a root mean square error of prediction (RMSEP) value of 0.303 mg/mL and R<sup>2</sup> value of 0.999 over a concentration range of 0–50 mg/mL for glycine spiked in whole serum. The LoD improved to 0.17 mg/mL from 0.26 mg/mL. Thus, the combination of NIR and mid-IR spectroscopy can improve the limit of detection for an LMW compound in a complex serum matrix.https://www.mdpi.com/1424-8220/22/12/4528serum proteomicsattenuated total reflection Fourier transform infrared (ATR-FTIR) spectroscopynear-infrared spectroscopychemometricsmultimodal data fusionglycine |
| spellingShingle | Thulya Chakkumpulakkal Puthan Veettil Bayden R. Wood A Combined Near-Infrared and Mid-Infrared Spectroscopic Approach for the Detection and Quantification of Glycine in Human Serum Sensors serum proteomics attenuated total reflection Fourier transform infrared (ATR-FTIR) spectroscopy near-infrared spectroscopy chemometrics multimodal data fusion glycine |
| title | A Combined Near-Infrared and Mid-Infrared Spectroscopic Approach for the Detection and Quantification of Glycine in Human Serum |
| title_full | A Combined Near-Infrared and Mid-Infrared Spectroscopic Approach for the Detection and Quantification of Glycine in Human Serum |
| title_fullStr | A Combined Near-Infrared and Mid-Infrared Spectroscopic Approach for the Detection and Quantification of Glycine in Human Serum |
| title_full_unstemmed | A Combined Near-Infrared and Mid-Infrared Spectroscopic Approach for the Detection and Quantification of Glycine in Human Serum |
| title_short | A Combined Near-Infrared and Mid-Infrared Spectroscopic Approach for the Detection and Quantification of Glycine in Human Serum |
| title_sort | combined near infrared and mid infrared spectroscopic approach for the detection and quantification of glycine in human serum |
| topic | serum proteomics attenuated total reflection Fourier transform infrared (ATR-FTIR) spectroscopy near-infrared spectroscopy chemometrics multimodal data fusion glycine |
| url | https://www.mdpi.com/1424-8220/22/12/4528 |
| work_keys_str_mv | AT thulyachakkumpulakkalputhanveettil acombinednearinfraredandmidinfraredspectroscopicapproachforthedetectionandquantificationofglycineinhumanserum AT baydenrwood acombinednearinfraredandmidinfraredspectroscopicapproachforthedetectionandquantificationofglycineinhumanserum AT thulyachakkumpulakkalputhanveettil combinednearinfraredandmidinfraredspectroscopicapproachforthedetectionandquantificationofglycineinhumanserum AT baydenrwood combinednearinfraredandmidinfraredspectroscopicapproachforthedetectionandquantificationofglycineinhumanserum |