Study Data


NMR Study

Project uploaded by: Neel Sarovar
Project ID: IMP_100005
Title: A longitudinal pilot study on hemodynamically stable isolated chest trauma patients reveals sustained dysregulation of oxidative metabolism
Project Description: Metabolomic dysregulation precedes clinical deterioration following injury. However, despite receiving comparable treatment, patients with similar injury severity often follow different clinical trajectories and outcomes. Metabolic profiling following an injury can aid in detecting systemic changes early and identifying novel biomarkers, enabling targeted interventions to improve patient outcomes. We hypothesized that metabolomic profiling in acutely injured patients would identify the perturbed metabolites and the physiological pathways within the first 72 hours of injury. Hence, this prospective study at a level 1 trauma centre analyzed the differentially regulated urine metabolites in patients with isolated blunt chest injuries and their longitudinal correlation with the severity of the injury. The study screened 1999 acutely injured patients with chest trauma between September 2019 and February 2023. Fifty hemodynamically stable patients with isolated chest trauma were recruited for the final analysis. Urine samples were collected on the injury's day 1, day 3, and day 7 day post-trauma. The study found that twenty metabolites were dysregulated in these patients (p-value <0.001). Twelve metabolites were upregulated, while the other eight showed downregulation. However, only five metabolites showed temporal association. These differentially regulated metabolites were involved in Glyoxylate and dicarboxylate metabolism pathways, glycine, serine, and threonine metabolism, and the Citrate cycle (TCA cycle). These metabolites could serve as biomarkers for early detection of systemic changes following chest injuries.
Research Area: Biological Sciences
Funding Source: ICGEB core funds, AIIMS core funds, SERB
Project Contributors: Arun Kumar Malaisamy, Ramesh Vaidyanathan, Abhinav Kumar and Neel Sarovar Bhavesh

Study uploaded by: Neel Sarovar
Study ID: IMS_100005
Title: A longitudinal pilot study on hemodynamically stable isolated chest trauma patients reveals sustained dysregulation of oxidative metabolism
Summary: Metabolomic dysregulation precedes clinical deterioration following injury. However, despite receiving comparable treatment, patients with similar injury severity often follow different clinical trajectories and outcomes. Metabolic profiling following an injury can aid in detecting systemic changes early and identifying novel biomarkers, enabling targeted interventions to improve patient outcomes. We hypothesized that metabolomic profiling in acutely injured patients would identify the perturbed metabolites and the physiological pathways within the first 72 hours of injury. Hence, this prospective study at a level 1 trauma centre analyzed the differentially regulated urine metabolites in patients with isolated blunt chest injuries and their longitudinal correlation with the severity of the injury. The study screened 1999 acutely injured patients with chest trauma between September 2019 and February 2023. Fifty hemodynamically stable patients with isolated chest trauma were recruited for the final analysis. Urine samples were collected on the injury's day 1, day 3, and day 7 day post-trauma. The study found that twenty metabolites were dysregulated in these patients (p-value &lt;0.001). Twelve metabolites were upregulated, while the other eight showed downregulation. However, only five metabolites showed temporal association. These differentially regulated metabolites were involved in Glyoxylate and dicarboxylate metabolism pathways, glycine, serine, and threonine metabolism, and the Citrate cycle (TCA cycle). These metabolites could serve as biomarkers for early detection of systemic changes following chest injuries.
Keywords: NMR spectroscopy, metabolomics, chest Trauma, oxidative metabolites, biomarker
Publication: https://link.springer.com/article/10.1007/s11306-025-02241-3
Release Date: July 10, 2025
Study Type: Nuclear Magnetic Resonance (NMR)
Data Type: Untargeted
IEC/IBSC Approval Number : IEC-636/06.09.2019, and ICGEB/IEC/2020/23

Sr.No Sample ID Sample Name Organism Source Sample Preparation Protocol Sample Type Experimental Condition Time of treatment Variant/Variety Gender Age Replicates Storage Conditions Extraction Protocol Number of files per sample
11 IMSM_100620 c19 Homo sapiens | 9606 Urine The urine samples were thawed during NMR measurements, and 0.5 ml of urine samples were transferred to a 1.5 ml centrifuge tube to eliminate contaminants of larger molecules. The samples were centrifuged at 10000g at 4 °C for 10 minutes to remove solid debris. Next, 180 µl of urine samples in the supernatant (metabolite) were transferred to a fresh centrifuge tube, and 20 µl NMR buffer (1.5 M KH2PO4, 2 mM NaN3, 5.8 mM sodium 3-(trimethylsilyl) propionate-2,2,3,3-d4 in D2O pH 7.4) was gently mixed. The resulting solutions were transferred to separate 3 mm NMR tubes. Healthy control Male 40 N/A -80

N/A
12 IMSM_100621 c2 Homo sapiens | 9606 Urine The urine samples were thawed during NMR measurements, and 0.5 ml of urine samples were transferred to a 1.5 ml centrifuge tube to eliminate contaminants of larger molecules. The samples were centrifuged at 10000g at 4 °C for 10 minutes to remove solid debris. Next, 180 µl of urine samples in the supernatant (metabolite) were transferred to a fresh centrifuge tube, and 20 µl NMR buffer (1.5 M KH2PO4, 2 mM NaN3, 5.8 mM sodium 3-(trimethylsilyl) propionate-2,2,3,3-d4 in D2O pH 7.4) was gently mixed. The resulting solutions were transferred to separate 3 mm NMR tubes. Healthy control Male 50 N/A -80

N/A
13 IMSM_100622 c20 Homo sapiens | 9606 Urine The urine samples were thawed during NMR measurements, and 0.5 ml of urine samples were transferred to a 1.5 ml centrifuge tube to eliminate contaminants of larger molecules. The samples were centrifuged at 10000g at 4 °C for 10 minutes to remove solid debris. Next, 180 µl of urine samples in the supernatant (metabolite) were transferred to a fresh centrifuge tube, and 20 µl NMR buffer (1.5 M KH2PO4, 2 mM NaN3, 5.8 mM sodium 3-(trimethylsilyl) propionate-2,2,3,3-d4 in D2O pH 7.4) was gently mixed. The resulting solutions were transferred to separate 3 mm NMR tubes. Healthy control Male 45 N/A -80

N/A
14 IMSM_100623 c21 Homo sapiens | 9606 Urine The urine samples were thawed during NMR measurements, and 0.5 ml of urine samples were transferred to a 1.5 ml centrifuge tube to eliminate contaminants of larger molecules. The samples were centrifuged at 10000g at 4 °C for 10 minutes to remove solid debris. Next, 180 µl of urine samples in the supernatant (metabolite) were transferred to a fresh centrifuge tube, and 20 µl NMR buffer (1.5 M KH2PO4, 2 mM NaN3, 5.8 mM sodium 3-(trimethylsilyl) propionate-2,2,3,3-d4 in D2O pH 7.4) was gently mixed. The resulting solutions were transferred to separate 3 mm NMR tubes. Healthy control Male 42 N/A -80

N/A
15 IMSM_100624 c22 Homo sapiens | 9606 Urine The urine samples were thawed during NMR measurements, and 0.5 ml of urine samples were transferred to a 1.5 ml centrifuge tube to eliminate contaminants of larger molecules. The samples were centrifuged at 10000g at 4 °C for 10 minutes to remove solid debris. Next, 180 µl of urine samples in the supernatant (metabolite) were transferred to a fresh centrifuge tube, and 20 µl NMR buffer (1.5 M KH2PO4, 2 mM NaN3, 5.8 mM sodium 3-(trimethylsilyl) propionate-2,2,3,3-d4 in D2O pH 7.4) was gently mixed. The resulting solutions were transferred to separate 3 mm NMR tubes. Healthy control Male 45 N/A -80

N/A
16 IMSM_100625 c23 Homo sapiens | 9606 Urine The urine samples were thawed during NMR measurements, and 0.5 ml of urine samples were transferred to a 1.5 ml centrifuge tube to eliminate contaminants of larger molecules. The samples were centrifuged at 10000g at 4 °C for 10 minutes to remove solid debris. Next, 180 µl of urine samples in the supernatant (metabolite) were transferred to a fresh centrifuge tube, and 20 µl NMR buffer (1.5 M KH2PO4, 2 mM NaN3, 5.8 mM sodium 3-(trimethylsilyl) propionate-2,2,3,3-d4 in D2O pH 7.4) was gently mixed. The resulting solutions were transferred to separate 3 mm NMR tubes. Healthy control Male 32 N/A -80

N/A
17 IMSM_100626 c24 Homo sapiens | 9606 Urine The urine samples were thawed during NMR measurements, and 0.5 ml of urine samples were transferred to a 1.5 ml centrifuge tube to eliminate contaminants of larger molecules. The samples were centrifuged at 10000g at 4 °C for 10 minutes to remove solid debris. Next, 180 µl of urine samples in the supernatant (metabolite) were transferred to a fresh centrifuge tube, and 20 µl NMR buffer (1.5 M KH2PO4, 2 mM NaN3, 5.8 mM sodium 3-(trimethylsilyl) propionate-2,2,3,3-d4 in D2O pH 7.4) was gently mixed. The resulting solutions were transferred to separate 3 mm NMR tubes. Healthy control Male 44 N/A -80

N/A
18 IMSM_100627 c25 Homo sapiens | 9606 Urine The urine samples were thawed during NMR measurements, and 0.5 ml of urine samples were transferred to a 1.5 ml centrifuge tube to eliminate contaminants of larger molecules. The samples were centrifuged at 10000g at 4 °C for 10 minutes to remove solid debris. Next, 180 µl of urine samples in the supernatant (metabolite) were transferred to a fresh centrifuge tube, and 20 µl NMR buffer (1.5 M KH2PO4, 2 mM NaN3, 5.8 mM sodium 3-(trimethylsilyl) propionate-2,2,3,3-d4 in D2O pH 7.4) was gently mixed. The resulting solutions were transferred to separate 3 mm NMR tubes. Healthy control Male 25 N/A -80

N/A
19 IMSM_100628 c26 Homo sapiens | 9606 Urine The urine samples were thawed during NMR measurements, and 0.5 ml of urine samples were transferred to a 1.5 ml centrifuge tube to eliminate contaminants of larger molecules. The samples were centrifuged at 10000g at 4 °C for 10 minutes to remove solid debris. Next, 180 µl of urine samples in the supernatant (metabolite) were transferred to a fresh centrifuge tube, and 20 µl NMR buffer (1.5 M KH2PO4, 2 mM NaN3, 5.8 mM sodium 3-(trimethylsilyl) propionate-2,2,3,3-d4 in D2O pH 7.4) was gently mixed. The resulting solutions were transferred to separate 3 mm NMR tubes. Healthy control Male 40 N/A -80

N/A
20 IMSM_100629 c27 Homo sapiens | 9606 Urine The urine samples were thawed during NMR measurements, and 0.5 ml of urine samples were transferred to a 1.5 ml centrifuge tube to eliminate contaminants of larger molecules. The samples were centrifuged at 10000g at 4 °C for 10 minutes to remove solid debris. Next, 180 µl of urine samples in the supernatant (metabolite) were transferred to a fresh centrifuge tube, and 20 µl NMR buffer (1.5 M KH2PO4, 2 mM NaN3, 5.8 mM sodium 3-(trimethylsilyl) propionate-2,2,3,3-d4 in D2O pH 7.4) was gently mixed. The resulting solutions were transferred to separate 3 mm NMR tubes. Healthy control Male 43 N/A -80

N/A

Sr.No NMR Exp ID Sample Name/ID Reference Standard NMR Instrument Name NMR Instrument Type NMR Experiment Type NMR Spectrometer Frequency NMR Probe NMR Probe temperature NMR Solvent NMR tube size Data Transformation (Software/s Used)
21 IME_100087 c28 / IMSM_100630 DSS Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 3mm topspin
22 IME_100088 c29 / IMSM_100631 DSS Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 3mm topspin
23 IME_100089 c3 / IMSM_100632 DSS Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 3mm topspin
24 IME_100090 c30 / IMSM_100633 DSS Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 3mm topspin
25 IME_100091 c31 / IMSM_100634 DSS Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 3mm topspin
26 IME_100092 c32 / IMSM_100635 DSS Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 3mm topspin
27 IME_100093 c33 / IMSM_100636 DSS Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 3mm topspin
28 IME_100094 c34 / IMSM_100637 DSS Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 3mm topspin
29 IME_100095 c35 / IMSM_100638 DSS Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 3mm topspin
30 IME_100096 c36 / IMSM_100639 DSS Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 3mm topspin

Sr.No First name Last name Email Organization Designation
1 Neel Sarovar Bhavesh neelsb@icgeb.res.in International Centre for Genetic Engineering and Biotechnology, New Delhi principal_investigator
2 Abhinav Kumar drabhinav1975@gmail.com All India Institute of Medical Sciences Delhi, New Delhi co_principal_investigator
3 Ramesh Vaidyanathan v17.ramesh@gmail.com All India Institute of Medical Sciences Delhi, New Delhi research_scholar
4 Arun Kumar Malaisamy makias191@gmail.com International Centre for Genetic Engineering and Biotechnology, New Delhi research_scholar

Sr.No ftprun ID NMR Exp ID NMR Data Files
121 IMR_100786 IME_100187 p10d2.zip
122 IMR_100787 IME_100188 p10d3.zip
123 IMR_100788 IME_100189 p11d1.zip
124 IMR_100789 IME_100190 p11d2.zip
125 IMR_100790 IME_100191 p11d3.zip
126 IMR_100791 IME_100192 p12d1.zip
127 IMR_100792 IME_100193 p12d2.zip
128 IMR_100793 IME_100194 p12d3.zip
129 IMR_100794 IME_100195 p14d2.zip
130 IMR_100795 IME_100196 p14d3.zip

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