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
141 IMSM_100750 p18d1 Homo sapiens | 9647 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. Trauma patients Male 58 N/A -80

N/A
142 IMSM_100751 p18d2 Homo sapiens | 9648 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. Trauma patients Male 58 N/A -80

N/A
143 IMSM_100752 p18d3 Homo sapiens | 9649 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. Trauma patients Male 58 N/A -80

N/A
144 IMSM_100753 p19d1 Homo sapiens | 9650 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. Trauma patients Male 50 N/A -80

N/A
145 IMSM_100754 p19d2 Homo sapiens | 9651 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. Trauma patients Male 50 N/A -80

N/A
146 IMSM_100755 p19d7 Homo sapiens | 9652 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. Trauma patients Male 50 N/A -80

N/A
147 IMSM_100756 p1d1 Homo sapiens | 9653 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. Trauma patients Male 43 N/A -80

N/A
148 IMSM_100757 p1d2 Homo sapiens | 9654 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. Trauma patients Male 43 N/A -80

N/A
149 IMSM_100758 p1d3 Homo sapiens | 9655 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. Trauma patients Male 43 N/A -80

N/A
150 IMSM_100759 p20d1 Homo sapiens | 9656 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. Trauma patients Male 35 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)
31 IME_100097 c37 / IMSM_100640 DSS Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 3mm topspin
32 IME_100098 c38 / IMSM_100641 DSS Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 3mm topspin
33 IME_100099 c39 / IMSM_100642 DSS Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 3mm topspin
34 IME_100100 c4 / IMSM_100643 DSS Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 3mm topspin
35 IME_100101 c40 / IMSM_100644 DSS Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 3mm topspin
36 IME_100102 c41 / IMSM_100645 DSS Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 3mm topspin
37 IME_100103 c42 / IMSM_100646 DSS Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 3mm topspin
38 IME_100104 c43 / IMSM_100647 DSS Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 3mm topspin
39 IME_100105 c44 / IMSM_100648 DSS Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 3mm topspin
40 IME_100106 c45 / IMSM_100649 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
101 IMR_100766 IME_100167 n2c.zip
102 IMR_100767 IME_100168 n3a.zip
103 IMR_100768 IME_100169 n3b.zip
104 IMR_100769 IME_100170 n3c.zip
105 IMR_100770 IME_100171 n4a.zip
106 IMR_100771 IME_100172 n4b.zip
107 IMR_100772 IME_100173 n4c.zip
108 IMR_100773 IME_100174 n5a.zip
109 IMR_100774 IME_100175 n5b.zip
110 IMR_100775 IME_100176 n5c.zip

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