Summary of Study ST004187
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 PR002641. The data can be accessed directly via it's Project DOI: 10.21228/M88K1M 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 | ST004187 |
| Study Title | Discovery and Validation of Metabolic Biomarkers for 'Liver Qi Stagnation' and 'Liver-Gallbladder Damp-Heat' Syndromes in Cholelithiasis: Blood targeted |
| Study Type | Observational study |
| Study Summary | This study employed three targeted metabolomics methods on the blood of patients with gallstones of different traditional Chinese medicine syndromes. A total of 210 metabolites were detected. |
| Institute | The First Affiliated Hospital of Dalian Medical University |
| Laboratory | Laboratory of Integrative Medicine |
| Last Name | Zhang |
| First Name | Yunshu |
| Address | No.222 Zhongshan Road, Xigang District, Dalian City, Liaoning Province |
| zys1986062186@163.com | |
| Phone | +86-411-83635863 |
| Submit Date | 2025-08-09 |
| Raw Data Available | Yes |
| Raw Data File Type(s) | mzML |
| Analysis Type Detail | LC-MS |
| Release Date | 2025-09-17 |
| Release Version | 1 |
Select appropriate tab below to view additional metadata details:
Project:
| Project ID: | PR002641 |
| Project DOI: | doi: 10.21228/M88K1M |
| Project Title: | Discovery and Validation of Metabolic Biomarkers for 'Liver Qi Stagnation' and 'Liver-Gallbladder Damp-Heat' Syndromes in Cholelithiasis: An Integrated Study Using Non-targeted and Targeted Metabolomics |
| Project Summary: | In order to explore the metabolic differences between the two major traditional Chinese medicine disorders related to gallstones, namely "Liver Qi Stagnation" (LQS) and "Liver and Gallbladder Damp Heat" (LGDH), this study employed a comprehensive metabolomics approach on serum and urine. Our aim was to identify objective biomarkers in the serum and urine to achieve the differentiation of the disorders and to elucidate the underlying biological basis. |
| Institute: | First Affiliated Hospital of Dalian Medical University |
| Last Name: | Zhang |
| First Name: | Yunshu |
| Address: | No.222 Zhongshan Road, Xigang District, Dalian City, Liaoning Province, Dalian, Xigang District, Dalian City, Liaoning Province, 116000, China |
| Email: | zys196062186@163.com |
| Phone: | 0411-93635863 |
Subject:
| Subject ID: | SU004339 |
| Subject Type: | Human |
| Subject Species: | Homo sapiens |
| Taxonomy ID: | 9606 |
| Age Or Age Range: | 20-74 |
| Gender: | Male and female |
| Human Trial Type: | No-intervention |
| Human Lifestyle Factors: | N/A |
| Human Medications: | No-medication |
| Human Prescription Otc: | No-prescription |
| Human Smoking Status: | N/A |
| Human Alcohol Drug Use: | N/A |
| Human Nutrition: | Gneral nutrition |
Factors:
Subject type: Human; Subject species: Homo sapiens (Factor headings shown in green)
| mb_sample_id | local_sample_id | Sample source | Factor |
|---|---|---|---|
| SA483095 | DZX9 | Blood | Healthy |
| SA483096 | DZX18 | Blood | Healthy |
| SA483097 | DZX16 | Blood | Healthy |
| SA483098 | DZX15 | Blood | Healthy |
| SA483099 | DZX13 | Blood | Healthy |
| SA483100 | DZX12 | Blood | Healthy |
| SA483101 | DZX11 | Blood | Healthy |
| SA483102 | DZX10 | Blood | Healthy |
| SA483103 | DZX8 | Blood | Healthy |
| SA483104 | DZX20 | Blood | Healthy |
| SA483105 | DZX7 | Blood | Healthy |
| SA483106 | DZX6 | Blood | Healthy |
| SA483107 | DZX5 | Blood | Healthy |
| SA483108 | DZX4 | Blood | Healthy |
| SA483109 | DZX3 | Blood | Healthy |
| SA483110 | DZX2 | Blood | Healthy |
| SA483111 | DZX1 | Blood | Healthy |
| SA483112 | DZX19 | Blood | Healthy |
| SA483113 | DZX17 | Blood | Healthy |
| SA483114 | DZX21 | Blood | Healthy |
| SA483115 | DZX32 | Blood | Healthy |
| SA483116 | QC5 | Blood | Healthy |
| SA483117 | QC4 | Blood | Healthy |
| SA483118 | QC3 | Blood | Healthy |
| SA483119 | QC2 | Blood | Healthy |
| SA483120 | QC1 | Blood | Healthy |
| SA483121 | DZX22 | Blood | Healthy |
| SA483122 | DZX34 | Blood | Healthy |
| SA483123 | DZX33 | Blood | Healthy |
| SA483124 | DZX35 | Blood | Healthy |
| SA483125 | DZX31 | Blood | Healthy |
| SA483126 | DZX25 | Blood | Healthy |
| SA483127 | DZX29 | Blood | Healthy |
| SA483128 | DZX24 | Blood | Healthy |
| SA483129 | DZX23 | Blood | Healthy |
| SA483130 | DZX26 | Blood | Healthy |
| SA483131 | DZX27 | Blood | Healthy |
| SA483132 | DZX28 | Blood | Healthy |
| SA483133 | QZX24 | Blood | Liver Depression and Qi Stagnation |
| SA483134 | QZX33 | Blood | Liver Depression and Qi Stagnation |
| SA483135 | QZX31 | Blood | Liver Depression and Qi Stagnation |
| SA483136 | QZX30 | Blood | Liver Depression and Qi Stagnation |
| SA483137 | QZX29 | Blood | Liver Depression and Qi Stagnation |
| SA483138 | QZX28 | Blood | Liver Depression and Qi Stagnation |
| SA483139 | QZX27 | Blood | Liver Depression and Qi Stagnation |
| SA483140 | QZX26 | Blood | Liver Depression and Qi Stagnation |
| SA483141 | QZX25 | Blood | Liver Depression and Qi Stagnation |
| SA483142 | QZX23 | Blood | Liver Depression and Qi Stagnation |
| SA483143 | QZX5 | Blood | Liver Depression and Qi Stagnation |
| SA483144 | QZX12 | Blood | Liver Depression and Qi Stagnation |
| SA483145 | QZX1 | Blood | Liver Depression and Qi Stagnation |
| SA483146 | QZX2 | Blood | Liver Depression and Qi Stagnation |
| SA483147 | QZX3 | Blood | Liver Depression and Qi Stagnation |
| SA483148 | QZX4 | Blood | Liver Depression and Qi Stagnation |
| SA483149 | QZX6 | Blood | Liver Depression and Qi Stagnation |
| SA483150 | QZX8 | Blood | Liver Depression and Qi Stagnation |
| SA483151 | QZX10 | Blood | Liver Depression and Qi Stagnation |
| SA483152 | QZX11 | Blood | Liver Depression and Qi Stagnation |
| SA483153 | QZX13 | Blood | Liver Depression and Qi Stagnation |
| SA483154 | QZX14 | Blood | Liver Depression and Qi Stagnation |
| SA483155 | QZX15 | Blood | Liver Depression and Qi Stagnation |
| SA483156 | QZX16 | Blood | Liver Depression and Qi Stagnation |
| SA483157 | QZX17 | Blood | Liver Depression and Qi Stagnation |
| SA483158 | QZX18 | Blood | Liver Depression and Qi Stagnation |
| SA483159 | QZX19 | Blood | Liver Depression and Qi Stagnation |
| SA483160 | QZX20 | Blood | Liver Depression and Qi Stagnation |
| SA483161 | QZX21 | Blood | Liver Depression and Qi Stagnation |
| SA483162 | QZX22 | Blood | Liver Depression and Qi Stagnation |
| SA483163 | SRX12 | Blood | Liver-Gallbladder Damp-Heat |
| SA483164 | SRX18 | Blood | Liver-Gallbladder Damp-Heat |
| SA483165 | SRX17 | Blood | Liver-Gallbladder Damp-Heat |
| SA483166 | SRX16 | Blood | Liver-Gallbladder Damp-Heat |
| SA483167 | SRX15 | Blood | Liver-Gallbladder Damp-Heat |
| SA483168 | SRX3 | Blood | Liver-Gallbladder Damp-Heat |
| SA483169 | SRX11 | Blood | Liver-Gallbladder Damp-Heat |
| SA483170 | SRX9 | Blood | Liver-Gallbladder Damp-Heat |
| SA483171 | SRX8 | Blood | Liver-Gallbladder Damp-Heat |
| SA483172 | SRX6 | Blood | Liver-Gallbladder Damp-Heat |
| SA483173 | SRX4 | Blood | Liver-Gallbladder Damp-Heat |
| SA483174 | SRX21 | Blood | Liver-Gallbladder Damp-Heat |
| SA483175 | SRX20 | Blood | Liver-Gallbladder Damp-Heat |
| SA483176 | SRX34 | Blood | Liver-Gallbladder Damp-Heat |
| SA483177 | SRX22 | Blood | Liver-Gallbladder Damp-Heat |
| SA483178 | SRX24 | Blood | Liver-Gallbladder Damp-Heat |
| SA483179 | SRX25 | Blood | Liver-Gallbladder Damp-Heat |
| SA483180 | SRX27 | Blood | Liver-Gallbladder Damp-Heat |
| SA483181 | SRX28 | Blood | Liver-Gallbladder Damp-Heat |
| SA483182 | SRX29 | Blood | Liver-Gallbladder Damp-Heat |
| SA483183 | SRX30 | Blood | Liver-Gallbladder Damp-Heat |
| SA483184 | SRX31 | Blood | Liver-Gallbladder Damp-Heat |
| SA483185 | SRX32 | Blood | Liver-Gallbladder Damp-Heat |
| SA483186 | SRX33 | Blood | Liver-Gallbladder Damp-Heat |
| SA483187 | SRX36 | Blood | Liver-Gallbladder Damp-Heat |
| SA483188 | SRX37 | Blood | Liver-Gallbladder Damp-Heat |
| SA483189 | SRX38 | Blood | Liver-Gallbladder Damp-Heat |
| SA483190 | SRX1 | Blood | Liver-Gallbladder Damp-Heat |
| Showing results 1 to 96 of 96 |
Collection:
| Collection ID: | CO004332 |
| Collection Summary: | In this study, 91 participants were recruited, comprising 33 healthy controls (HC), 30 cholelithiasis patients with LQS syndrome, and 28 with LGDH syndrome. Serum and urine samples were analyzed using a two-pronged strategy. |
| Sample Type: | Blood (serum) |
| Collection Method: | Fasting blood samples were collected in the additive-free sterile glass and stand at room temprature for 1h. Then, serum samples were obtained by centrifugation at 3500rpm under 4 ℃ for 15min and dispensed into ep tubes, storing at -80 ℃ until analysis. |
| Collection Location: | The First Affiliated Hospital of Dalian Medical University |
| Collection Frequency: | Once |
| Collection Duration: | July 2022 to November 2022 |
| Volumeoramount Collected: | 1ml |
| Storage Conditions: | -80℃ |
Treatment:
| Treatment ID: | TR004348 |
| Treatment Summary: | No treatment was involved in this study. |
Sample Preparation:
| Sampleprep ID: | SP004345 |
| Sampleprep Summary: | Samples were prepared by three seperate protocols. Among them, the first one was for amine acids and nucleosides, the second one was for bile acids and fatty acids, the third was for bacteria-derived metabolites, Details are shown in the uploaded file. |
| Processing Storage Conditions: | Room temperature |
Chromatography:
| Chromatography ID: | CH005278 |
| Chromatography Summary: | Amine acids and nucleosides were separated on an Acquity UPLC BEH Amide column (1.7 μm, 2.1mm × 100 mm, Waters). The mobile phase was consisting of acetonitrile-water solution (9:1) as phase A, and acetonitrile-water solution (5:5) as phase B with 10 mM ammonium formate and 1% formic acid as additives in both phases. The binary gradient condition was set as follows: 0-0.5 min at 0% B, 0.5-12.0 min from 0 to 40%, 12.0-15.0 min from 40% to 70%, 15.0-16.0 min at 70%, 16.0-17.0 min from 70% to 0%B with additional 3 min for re-equilibration. The column was kept at 50 °C and the total flow rate was set at 0.3 mL/min. |
| Methods ID: | M1 |
| Instrument Name: | Shimadzu 20AD |
| Column Name: | Waters ACQUITY UPLC BEH Amide (100 x 2.1mm,1.7um) |
| Column Temperature: | 50 |
| Flow Gradient: | 0-0.5 min at 0% B, 0.5-12.0 min from 0 to 40%B, 12.0-15.0 min from 40% to 70%B, 15.0-16.0 min at 70%B, 16.0-17.0 min from 70% to 0%B with additional 3 min for re-equilibration. |
| Flow Rate: | 0.3 mL/min |
| Solvent A: | 90% acetonitrile/10% water; 10 mM ammonium formate; 0.1% formic acid |
| Solvent B: | 50% acetonitrile/50% water; 10 mM ammonium formate; 0.1% formic acid |
| Chromatography Type: | HILIC |
| Chromatography ID: | CH005279 |
| Chromatography Summary: | The separation was performed using a Hypersil GOLD column (1.9 μm, 2.1 mm × 100 mm, Thermo) at a column temperature of 50 °C. The mobile phase consisted of 2 mM ammonium acetate in water (A), and acetonitrile (B). The binary gradient condition was optimized as follows: 0-0.5 min at 17% B, 0.5-12.0 min from 17% to 30%, 12.0-15.5 min from 30% to 55%, 15.5-16.5 min at 55%, and 24.5-27.0 min at 95% with another 3 min for equilibration with total flow rate set at 0.4 mL/min. |
| Methods ID: | M2 |
| Instrument Name: | Shimadzu 20AD |
| Column Name: | Thermo Hypersil GOLD aQ (100 x 2.1mm,1.9um) |
| Column Temperature: | 50 |
| Flow Gradient: | 0-0.5 min at 17% B, 0.5-12.0 min from 17% to 30%B, 12.0-15.5 min from 30% to 55%B, 15.5-16.5 min at 55%B, and 24.5-27.0 min at 95%B with another 3 min for equilibration. |
| Flow Rate: | 0.4 mL/min |
| Solvent A: | 100% water; 2 mM ammonium acetate |
| Solvent B: | 100% acetonitrile; 2 mM ammonium acetate |
| Chromatography Type: | Reversed phase |
| Chromatography ID: | CH005280 |
| Chromatography Summary: | Bacteria-derived metabolites were separated on a PFP C18 column (2 μm, 2.1mm × 100 mm, ACE). The mobile phase was consisting of 0.01% formic acid -water solution (phase A) and acetonitrile (phase B). The binary gradient condition was set as follows: 0-1.0 min at 5% B, 1.0-9.0 min from 5 to 75%, 9.0-9.5 min from 75% to 95%, 9.5-12.0 min at 95%, 12.5 min at 5%B with 2.5 min for re-equilibration and the column was maintained at 40 °C. The total flow rate was set at 0.3 mL/min. |
| Methods ID: | M4 |
| Instrument Name: | Shimadzu 20AD |
| Column Name: | ACE Excel 2 C18-PFP (100 x 2.1mm,2um) |
| Column Temperature: | 40 |
| Flow Gradient: | 0-1min 5%B; 1-9min 5%-75%B; 9-9.5min 75%-95%B; 9.5-12min 95%B; 12-12.5min 95%B-5%B |
| Flow Rate: | 0.3 mL/min |
| Solvent A: | 100% water; 0.01% formic acid |
| Solvent B: | 100% acetonitrile |
| Chromatography Type: | Reversed phase |
Analysis:
| Analysis ID: | AN006953 |
| Analysis Type: | MS |
| Chromatography ID: | CH005278 |
| Num Factors: | 3 |
| Num Metabolites: | 84 |
| Units: | ng/mL |
| Analysis ID: | AN006954 |
| Analysis Type: | MS |
| Chromatography ID: | CH005279 |
| Num Factors: | 3 |
| Num Metabolites: | 94 |
| Units: | ng/mL |
| Analysis ID: | AN006955 |
| Analysis Type: | MS |
| Chromatography ID: | CH005280 |
| Num Factors: | 3 |
| Num Metabolites: | 31 |
| Units: | ng/mL |
