2D-IR Spectroscopy for Serum Diagnostics
Lead Research Organisation:
University of Strathclyde
Department Name: Pure and Applied Chemistry
Abstract
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Organisations
Publications
Cameron J
(2021)
Clinical Spectroscopy: Lost in Translation?
in Applied Spectroscopy
Rutherford S
(2021)
Biofluid analysis and classification using IR and 2D-IR spectroscopy
in Chemometrics and Intelligent Laboratory Systems
Rutherford S
(2022)
Measuring proteins in H2O using 2D-IR spectroscopy: pre-processing steps and applications toward a protein library
in The Journal of Chemical Physics
Rutherford SH
(2021)
Detection of Glycine as a Model Protein in Blood Serum Using 2D-IR Spectroscopy.
in Analytical chemistry
Rutherford SH
(2023)
2D-IR spectroscopy of proteins in H2O-A Perspective.
in The Journal of chemical physics
Rutherford SH
(2023)
Optical Screening and Classification of Drug Binding to Proteins in Human Blood Serum.
in Analytical chemistry
Rutherford SH
(2022)
Detection of paracetamol binding to albumin in blood serum using 2D-IR spectroscopy.
in The Analyst
| Description | The main achievements are: 1. The development of a workflow to standardise the pre-processing of 2D-IR spectra of proteins in water. This will enable spectra to be compared that have been acquired of different samples and on different instruments - a key requirement for the construction of a 2D-IR spectral library of proteins. Hence, this is an important step in the development of 2D-IR spectroscopy as an analytical tool for healthcare applications. 2. Detection and quantification of protein-bound drug molecules in blood serum at physiologically relevant levels using 2D-IR spectroscopy. 2D-IR spectroscopy offers a direct, label-free measurement with no additional sample processing. The ability to study protein-drug binding has potential application for the development of novel therapies and personalised medicines. |
| Exploitation Route | This work is currently being taken forward by a collaborator who led the present work and is an expert in 2D-IR spectroscopy. This will ultimately enable the societal benefits from translation of 2D-IR spectroscopy into healthcare-related serum diagnostics applications. |
| Sectors | Healthcare Manufacturing including Industrial Biotechology Pharmaceuticals and Medical Biotechnology |
| Description | A key output of this research is the development of a workflow to standardise the pre-processing of 2D-IR spectra of proteins in water. The workflow is facilitating the use of 2D-IR spectroscopy by academic groups through providing a structure to advanced data analysis. Hence, this is enabling the exploration of 2D-IR spectroscopy as an analytical tool for applications (particularly healthcare) that otherwise would not have been possible. |
| First Year Of Impact | 2022 |
| Title | Data for: "Detection of Paracetamol Binding to Albumin in Blood Serum using 2D-IR Spectroscopy' |
| Description | This dataset contains 60 2D-IR spectra, in csv format which was created for the purposes of the analysis of albumin bound paracetamol in blood serum. Each spectrum is a matrice whereby the columns denote the pump (excitation) axis and the rows are the probe (detection) axis. Each sample has two corresponding spectra at two different waiting times (0.25 and 5.0) and is allocated a number (1:30) in order to identify correct pairs for each sample. |
| Type Of Material | Database/Collection of data |
| Year Produced | 2022 |
| Provided To Others? | Yes |
| Impact | Demonstrated that 2D-IR spectroscopy can detect albumin bound paracetamol in blood serum. |
| URL | https://pureportal.strath.ac.uk/en/datasets/453a67c8-406c-4854-83ae-de851c4eb019 |
| Title | Data for: "Measuring Proteins in H2O using 2D-IR Spectroscopy; Pre-Processing Steps and Applications towards a Protein Library" |
| Description | This dataset contains 2D-IR spectra, in csv format. Six folders exist, two for each case study containing the raw data and the fully pre-processed data (as described in the publication, however spectral normalisation to the protein amide I has not performed in the AGR and Glycine datasets). Each spectrum is a matrix whereby the columns denote the pump (excitation) axis and the rows are the probe (detection) axis. For the protein library, each sample has two corresponding spectra at two different waiting times (0.25 and 5.0) and is allocated a number in order to identify correct pairs for each sample. |
| Type Of Material | Database/Collection of data |
| Year Produced | 2022 |
| Provided To Others? | Yes |
| Impact | The dataset was used to demonstrate the utility of adopting a structured approach to processing of 2D-IR spectral data. |
| URL | https://pureportal.strath.ac.uk/en/datasets/8da49741-31b6-46ad-9649-38791c6a84c7 |