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
71 IMSM_100680 n16d7 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. Trauma patients Male 52 N/A -80

N/A
72 IMSM_100681 n17d1 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. Trauma patients Male 36 N/A -80

N/A
73 IMSM_100682 n17d3 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. Trauma patients Male 36 N/A -80

N/A
74 IMSM_100683 n17d5 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. Trauma patients Male 36 N/A -80

N/A
75 IMSM_100684 n18a 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. Trauma patients Male 21 N/A -80

N/A
76 IMSM_100685 n18b 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. Trauma patients Male 21 N/A -80

N/A
77 IMSM_100686 n18c 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. Trauma patients Male 21 N/A -80

N/A
78 IMSM_100687 n19a 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. Trauma patients Male 38 N/A -80

N/A
79 IMSM_100688 n19b 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. Trauma patients Male 38 N/A -80

N/A
80 IMSM_100689 n19c 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. Trauma patients Male 38 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)
61 IME_100127 n13b / IMSM_100670 DSS Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 3mm topspin
62 IME_100128 n13b2 / IMSM_100671 DSS Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 3mm topspin
63 IME_100129 n14a / IMSM_100672 DSS Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 3mm topspin
64 IME_100130 n14b / IMSM_100673 DSS Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 3mm topspin
65 IME_100131 n14c / IMSM_100674 DSS Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 3mm topspin
66 IME_100132 n15a / IMSM_100675 DSS Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 3mm topspin
67 IME_100133 n15b / IMSM_100676 DSS Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 3mm topspin
68 IME_100134 n15c / IMSM_100677 DSS Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 3mm topspin
69 IME_100135 n16d0 / IMSM_100678 DSS Bruker Avance Neo Solution NMR 1D 1H 500 cryogenic 5 mm TCI probe head 298k D2O 3mm topspin
70 IME_100136 n16d1 / IMSM_100679 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
11 IMR_100676 IME_100077 c19.zip
12 IMR_100677 IME_100078 c2.zip
13 IMR_100678 IME_100079 c20.zip
14 IMR_100679 IME_100080 c21.zip
15 IMR_100680 IME_100081 c22.zip
16 IMR_100681 IME_100082 c23.zip
17 IMR_100682 IME_100083 c24.zip
18 IMR_100683 IME_100084 c25.zip
19 IMR_100684 IME_100085 c26.zip
20 IMR_100685 IME_100086 c27.zip

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