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
31 IMSM_100640 c37 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
32 IMSM_100641 c38 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
33 IMSM_100642 c39 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
34 IMSM_100643 c4 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 21 N/A -80

N/A
35 IMSM_100644 c40 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 38 N/A -80

N/A
36 IMSM_100645 c41 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 30 N/A -80

N/A
37 IMSM_100646 c42 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 21 N/A -80

N/A
38 IMSM_100647 c43 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 35 N/A -80

N/A
39 IMSM_100648 c44 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
40 IMSM_100649 c45 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 46 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
61 IMR_100726 IME_100127 n13b.zip
62 IMR_100727 IME_100128 n13b2.zip
63 IMR_100728 IME_100129 n14a.zip
64 IMR_100729 IME_100130 n14b.zip
65 IMR_100730 IME_100131 n14c.zip
66 IMR_100731 IME_100132 n15a.zip
67 IMR_100732 IME_100133 n15b.zip
68 IMR_100733 IME_100134 n15c.zip
69 IMR_100734 IME_100135 n16d0.zip
70 IMR_100735 IME_100136 n16d1.zip

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