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
1 IMSM_100610 c1 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 53 N/A -80

N/A
2 IMSM_100611 c10 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 17 N/A -80

N/A
3 IMSM_100612 c11 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
4 IMSM_100613 c12 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 52 N/A -80

N/A
5 IMSM_100614 c13 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 36 N/A -80

N/A
6 IMSM_100615 c14 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 53 N/A -80

N/A
7 IMSM_100616 c15 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 58 N/A -80

N/A
8 IMSM_100617 c16 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
9 IMSM_100618 c17 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
10 IMSM_100619 c18 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)
1 IME_100067 c1 / IMSM_100610 DSS Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 3mm topspin
2 IME_100068 c10 / IMSM_100611 DSS Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 3mm topspin
3 IME_100069 c11 / IMSM_100612 DSS Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 3mm topspin
4 IME_100070 c12 / IMSM_100613 DSS Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 3mm topspin
5 IME_100071 c13 / IMSM_100614 DSS Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 3mm topspin
6 IME_100072 c14 / IMSM_100615 DSS Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 3mm topspin
7 IME_100073 c15 / IMSM_100616 DSS Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 3mm topspin
8 IME_100074 c16 / IMSM_100617 DSS Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 3mm topspin
9 IME_100075 c17 / IMSM_100618 DSS Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 3mm topspin
10 IME_100076 c18 / IMSM_100619 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
191 IMR_100856 IME_100257 p3d3.zip
192 IMR_100857 IME_100258 p4d1.zip
193 IMR_100858 IME_100259 p4d2.zip
194 IMR_100859 IME_100260 p4d3.zip
195 IMR_100860 IME_100261 p7ad1.zip
196 IMR_100861 IME_100262 p7ad2.zip
197 IMR_100862 IME_100263 p7ad7.zip
198 IMR_100863 IME_100264 p7d1.zip
199 IMR_100864 IME_100265 p7d2.zip
200 IMR_100865 IME_100266 p7d3.zip

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