Summary of Study ST003780
This data is available at the NIH Common Fund's National Metabolomics Data Repository (NMDR) website, the Metabolomics Workbench, https://www.metabolomicsworkbench.org, where it has been assigned Project ID PR002358. The data can be accessed directly via it's Project DOI: 10.21228/M8TZ68 This work is supported by NIH grant, U2C- DK119886.
See: https://www.metabolomicsworkbench.org/about/howtocite.php
This study contains a large results data set and is not available in the mwTab file. It is only available for download via FTP as data file(s) here.
| Study ID | ST003780 |
| Study Title | Dengue Virus infection in infants: serum metabolomics profiling for biomarker discovery |
| Study Summary | Dengue is an acute febrile illness transmitted by mosquitoes infected with the dengue virus (DENV), considered one of the leading causes of morbidity and mortality globally.The study of metabolites in the serum of infected patients aims to identify biomarkers for a better understanding of the pathophysiological mechanisms and the development of diagnostic tools.For this study, serum samples from 40 children between 0 and 17 years old, treated at the Dr. Roberto Gilbert Children’s Hospital in Guayaquil, were included. The samples were subjected to molecular diagnosis by RT-PCR and divided into two groups: Dengue (N=25) and healthy controls (N=15). Serum metabolites were extracted following the Glasgow Polyomics protocol. The metabolites were analyzed by ultra-performance liquid chromatography coupled to a mass spectrometer (UPLC-MS), and the resulting data were analyzed by multivariate statistics using partial least squares discriminant analysis (PLS-DA). The metabolite masses with biomarker potential were attributed to molecules using the Lipid Maps platform. As a result, PLS-DA showed a separation between the two groups and identified 14 metabolites with higher importance values in the projection of these variables (VIP>2), responsible for the separation considering the top 5 components of the PLS-DA. Relative concentrations of 3 metabolites were found to be higher in dengue patients, while 11 were more abundant in the control group. These metabolites belong to different lipid classes, such as fatty acids, sphingolipids, glycerolipids, sterols, and glycerophospholipids. |
| Institute | Escuela Superior Politécnica del Litoral (ESPOL) |
| Department | Facultad Ciencias de la Vida |
| Laboratory | Laboratorio para investigaciones biomédicas |
| Last Name | B. Cordeiro |
| First Name | Fernanda |
| Address | km 30.5 Via Perimetral, Campus Gustavo Galindo |
| fbertuc@espol.edu.ec | |
| Phone | +593984594225 |
| Submit Date | 2024-09-09 |
| Num Groups | 2 |
| Total Subjects | 40 |
| Num Males | 18 |
| Num Females | 22 |
| Raw Data Available | Yes |
| Raw Data File Type(s) | mzML |
| Analysis Type Detail | LC-MS |
| Release Date | 2025-09-09 |
| Release Version | 1 |
Select appropriate tab below to view additional metadata details:
Project:
| Project ID: | PR002358 |
| Project DOI: | doi: 10.21228/M8TZ68 |
| Project Title: | Dengue Virus infection in infants: serum metabolomics profiling for biomarker discovery |
| Project Type: | LC-MS exploratory metabolomics |
| Project Summary: | For this study, serum samples from 40 children between 0 and 17 years old were included. The samples were subjected to molecular diagnosis by RT-PCR and divided into two groups: Dengue (N=25) and healthy controls (N=15). Serum metabolites were extracted following the Glasgow Polyomics protocol. The metabolites were analyzed by ultra-performance liquid chromatography coupled to a mass spectrometer (UPLC-MS), and the resulting data were analyzed by multivariate statistics using partial least squares discriminant analysis (PLS-DA). |
| Institute: | Escuela Superior Politécnica del Litoral (ESPOL) |
| Department: | Facultad Ciencias de la Vida |
| Laboratory: | Laboratorio para investigaciones biomédicas |
| Last Name: | B. Cordeiro |
| First Name: | Fernanda |
| Address: | km 30.5 Via Perimetral, Campus Gustavo Galindo |
| Email: | fbertuc@espol.edu.ec |
| Phone: | +593984594225 |
| Contributors: | Ricardo E Correa Fierro, Noroska Gabriela Mogollón Salazar, Washington Cárdenas, Evencio Joel Medina-Villamizar, Jefferson Pastuña-Fasso, Melanie Ochoa-Ocampo, Giovanna Morán-Marcillo, Melanie Cedeño-Zambrano, Mary Ernestina Regato Arrata, Mildred Zambrano, Joyce Andrade, Juan Chang |
Subject:
| Subject ID: | SU003914 |
| Subject Type: | Human |
| Subject Species: | Homo sapiens |
| Taxonomy ID: | 9606 |
| Age Or Age Range: | 0 - 16 |
| Gender: | Male and female |
| Human Inclusion Criteria: | Dengue mono-infected individuals vs. age paired healthy controls |
Factors:
Subject type: Human; Subject species: Homo sapiens (Factor headings shown in green)
| mb_sample_id | local_sample_id | Sample source | Sex | Disease cohort |
|---|---|---|---|---|
| SA410044 | QCC_3 | Pool Control | NA | CONTROL |
| SA410045 | QCC_16 | Pool Control | NA | CONTROL |
| SA410046 | QCC_15 | Pool Control | NA | CONTROL |
| SA410047 | QCC_14 | Pool Control | NA | CONTROL |
| SA410048 | QCC_13 | Pool Control | NA | CONTROL |
| SA410049 | QCC_12 | Pool Control | NA | CONTROL |
| SA410050 | QCC_11 | Pool Control | NA | CONTROL |
| SA410051 | QCC_10 | Pool Control | NA | CONTROL |
| SA410052 | QCC_9 | Pool Control | NA | CONTROL |
| SA410053 | QCC_8 | Pool Control | NA | CONTROL |
| SA410054 | QCC_7 | Pool Control | NA | CONTROL |
| SA410055 | QCC_6 | Pool Control | NA | CONTROL |
| SA410056 | QCC_5 | Pool Control | NA | CONTROL |
| SA410057 | QCC_4 | Pool Control | NA | CONTROL |
| SA410058 | QCC_0 | Pool Control | NA | CONTROL |
| SA410059 | QCC_2 | Pool Control | NA | CONTROL |
| SA410060 | QCC_1 | Pool Control | NA | CONTROL |
| SA410061 | QCD_4 | Pool DENV | NA | DENV |
| SA410062 | QCD_8 | Pool DENV | NA | DENV |
| SA410063 | QCD_2 | Pool DENV | NA | DENV |
| SA410064 | QCD_1 | Pool DENV | NA | DENV |
| SA410065 | QCD_9 | Pool DENV | NA | DENV |
| SA410066 | QCD_6 | Pool DENV | NA | DENV |
| SA410067 | QCD_0 | Pool DENV | NA | DENV |
| SA410068 | QCD_5 | Pool DENV | NA | DENV |
| SA410069 | QCD_3 | Pool DENV | NA | DENV |
| SA410070 | QCD_10 | Pool DENV | NA | DENV |
| SA410071 | QCD_11 | Pool DENV | NA | DENV |
| SA410072 | QCD_12 | Pool DENV | NA | DENV |
| SA410073 | QCD_13 | Pool DENV | NA | DENV |
| SA410074 | QCD_14 | Pool DENV | NA | DENV |
| SA410075 | QCD_15 | Pool DENV | NA | DENV |
| SA410076 | QCD_16 | Pool DENV | NA | DENV |
| SA410077 | QCD_7 | Pool DENV | NA | DENV |
| SA410078 | 65_1 | Serum | Female | CONTROL |
| SA410079 | 65_2 | Serum | Female | CONTROL |
| SA410080 | 65_3 | Serum | Female | CONTROL |
| SA410081 | 21_2 | Serum | Female | CONTROL |
| SA410082 | 75_1 | Serum | Female | CONTROL |
| SA410083 | 75_2 | Serum | Female | CONTROL |
| SA410084 | 75_3 | Serum | Female | CONTROL |
| SA410085 | 84_1 | Serum | Female | CONTROL |
| SA410086 | 21_3 | Serum | Female | CONTROL |
| SA410087 | 97_1 | Serum | Female | CONTROL |
| SA410088 | 97_2 | Serum | Female | CONTROL |
| SA410089 | 97_3 | Serum | Female | CONTROL |
| SA410090 | 84_3 | Serum | Female | CONTROL |
| SA410091 | 84_2 | Serum | Female | CONTROL |
| SA410092 | 41_2 | Serum | Female | CONTROL |
| SA410093 | 29_3 | Serum | Female | CONTROL |
| SA410094 | 29_1 | Serum | Female | CONTROL |
| SA410095 | 39_1 | Serum | Female | CONTROL |
| SA410096 | 39_2 | Serum | Female | CONTROL |
| SA410097 | 39_3 | Serum | Female | CONTROL |
| SA410098 | 21_1 | Serum | Female | CONTROL |
| SA410099 | 44_1 | Serum | Female | CONTROL |
| SA410100 | 44_2 | Serum | Female | CONTROL |
| SA410101 | 41_1 | Serum | Female | CONTROL |
| SA410102 | 29_2 | Serum | Female | CONTROL |
| SA410103 | 41_3 | Serum | Female | CONTROL |
| SA410104 | 44_3 | Serum | Female | CONTROL |
| SA410105 | 30_2 | Serum | Female | DENV |
| SA410106 | 115_3 | Serum | Female | DENV |
| SA410107 | 115_2 | Serum | Female | DENV |
| SA410108 | 47_1 | Serum | Female | DENV |
| SA410109 | 132_1 | Serum | Female | DENV |
| SA410110 | 115_1 | Serum | Female | DENV |
| SA410111 | 30_3 | Serum | Female | DENV |
| SA410112 | 47_2 | Serum | Female | DENV |
| SA410113 | 105_3 | Serum | Female | DENV |
| SA410114 | 105_2 | Serum | Female | DENV |
| SA410115 | 30_1 | Serum | Female | DENV |
| SA410116 | 136_2 | Serum | Female | DENV |
| SA410117 | 132_2 | Serum | Female | DENV |
| SA410118 | 157_1 | Serum | Female | DENV |
| SA410119 | 2_1 | Serum | Female | DENV |
| SA410120 | 158_3 | Serum | Female | DENV |
| SA410121 | 158_2 | Serum | Female | DENV |
| SA410122 | 158_1 | Serum | Female | DENV |
| SA410123 | 157_3 | Serum | Female | DENV |
| SA410124 | 157_2 | Serum | Female | DENV |
| SA410125 | 155_3 | Serum | Female | DENV |
| SA410126 | 132_3 | Serum | Female | DENV |
| SA410127 | 155_2 | Serum | Female | DENV |
| SA410128 | 155_1 | Serum | Female | DENV |
| SA410129 | 2_2 | Serum | Female | DENV |
| SA410130 | 2_3 | Serum | Female | DENV |
| SA410131 | 136_3 | Serum | Female | DENV |
| SA410132 | 136_1 | Serum | Female | DENV |
| SA410133 | 105_1 | Serum | Female | DENV |
| SA410134 | 73_2 | Serum | Female | DENV |
| SA410135 | 16_1 | Serum | Female | DENV |
| SA410136 | 16_3 | Serum | Female | DENV |
| SA410137 | 47_3 | Serum | Female | DENV |
| SA410138 | 45_3 | Serum | Female | DENV |
| SA410139 | 45_2 | Serum | Female | DENV |
| SA410140 | 73_1 | Serum | Female | DENV |
| SA410141 | 45_1 | Serum | Female | DENV |
| SA410142 | 73_3 | Serum | Female | DENV |
| SA410143 | 16_2 | Serum | Female | DENV |
Collection:
| Collection ID: | CO003907 |
| Collection Summary: | Patients with fever above 38.5° C and at least one of the following symptoms: headache, retro-orbital pain, myalgia, arthralgia, nausea, vomiting and rash. Clinical staff nurse or treating physician performed a single venipuncture and filled two study blood tubes at the same time as samples are collected for clinical testing, using a vacutainer: a tube for whole blood and plasma collection with 3.2% sodium citrate and a sterile non-additives tube, both with approximately 4 mL. Serum and plasma fractions were obtained by centrifugation and distributed in aliquots on 1.5mL micro-centrifuge tubes for long-time storage at -80°C. Healthy individuals without any sign or symptom of arboviral infection were also recruited as a Control group. Personal information and data from interviews during patient enrollment were codified to guarantee anonymous processing. Nucleic acid amplification tests were performed in three blood fractions: whole blood, plasma and serum to discriminate between arboviral infections with overlapping symptoms (Dengue, Zika and Chikungunya). Dengue mono-infection was confirmed by Reverse-Transcription Polymerase Chain Reaction (RT-PCR) using the SuperScript III Platinum One Step RT-PCR Kit (Invitrogen; CA). A two-step heminested protocol targeting the C-prM region of the POLY gene, common to all 4 serotypes allowed molecular diagnosis. The Infected DENV group consists of 25 individuals and a Healthy group CONTROL with 15 individuals, both groups with participants under 16 years |
| Sample Type: | Blood (serum) |
| Collection Method: | Peripheral venipuncture |
| Collection Location: | Guayaquil, Guayas, Ecuador |
| Storage Conditions: | Described in summary |
| Collection Vials: | Sterile non-additive tubes. |
| Storage Vials: | 1.5 mL microcentrifuge sterile tubes. |
| Additives: | None |
Treatment:
| Treatment ID: | TR003923 |
| Treatment Summary: | No treatment. Sera samples selected from a cohort of DENV and CONTROL groups were randomized and assigned a new codification prior to metabolic extraction. After thawing serum for 15 to 30 min at room temperature, samples were gently homogenized by inverting the original tube 5 times. Using sterile filtered tips and a pipettor, 25 uL were aliquoted to a fresh 1.5mL microcentrifuge tube. Liquid-liquid metabolite extraction requires the addition of 1mL of solvent mixture in a (1:3:1) ratio of HPLC grade Chloroform/Methanol/Water as described in Glasgow Polyomics guidelines for serum preparation. Samples were vigorously mixed and centrifuged in a 4°C chilled centrifuge at 13000 g for 3 minutes. This extraction allows protein and cellular residues to precipitate, isolating the metabolites of interest in the supernatant. Metabolites were concentrated by speed-vacuum centrifugation of 300uL from the previous step. Two pools of metabolite extract from both groups were obtained and treated as Quality Control in DENV (QCD) and CONTROL groups (QCC). Dried samples were resuspended with 200uL of Ultrapure distilled water + 0.1% formic acid and transferred to micro vials on a 4°C chilled autosampler. |
Sample Preparation:
| Sampleprep ID: | SP003920 |
| Sampleprep Summary: | Metabolites were concentrated by speed-vacuum centrifugation of 300uL from the previous step. Two pools of metabolite extract from both groups were obtained and treated as Quality Control in DENV (QCD) and CONTROL groups (QCC). Dried samples were resuspended with 200uL of Ultrapure distilled water + 0.1% formic acid and transferred to micro vials on a 4°C chilled autosampler. |
| Processing Storage Conditions: | 4℃ |
| Extraction Method: | Liquid-liquid metabolite extraction requires the addition of 1mL of solvent mixture in a (1:3:1) ratio of HPLC grade Chloroform/Methanol/Water as described in Glasgow Polyomics guidelines for serum preparation |
| Extract Storage: | 4℃ |
Chromatography:
| Chromatography ID: | CH004709 |
| Instrument Name: | Waters Acquity I-Class |
| Column Name: | Waters ACQUITY UPLC BEH C18 (100 x 2.1mm,1.7um) |
| Column Temperature: | 50 |
| Flow Gradient: | 80% A and 20% B for 1 minute, followed by a linear transition to 50% A and 50% B for the next minute. Subsequently, the gradient was adjusted to 35% A and 65% B for 2 minutes. Next, the gradient was inverted, employing 20% A and 80% B for 3 minutes. The gradient was further modified to 3% A and 97% B for the next 10 minutes. Finally, the initial conditions were restored for column washing for 1 minute. |
| Flow Rate: | 0.5 mL/min |
| Solvent A: | 100% water; 0.1% formic acid |
| Solvent B: | 100% acetonitrile;0.1% formic acid |
| Chromatography Type: | Reversed phase |
Analysis:
| Analysis ID: | AN006208 |
| Laboratory Name: | Laboratorio de Productos Naturales |
| Analysis Type: | MS |
| Data Format: | .raw |
| Chromatography ID: | CH004709 |
| Has Mz: | 1 |
| Has Rt: | 1 |
| Rt Units: | Minutes |
| Results File: | ST003780_AN006208_Results.txt |
| Units: | Peak intentsity |