Summary of Study ST000444
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 PR000342. The data can be accessed directly via it's Project DOI: 10.21228/M8F019 This work is supported by NIH grant, U2C- DK119886.
See: https://www.metabolomicsworkbench.org/about/howtocite.php
| Study ID | ST000444 |
| Study Title | Preconcentration of organic solutes in urine by bubble bursting |
| Study Type | Sample preparation for MS analysis |
| Study Summary | The chemical sensitivity of urine metabolomics analysis is greatly compromised due to the large amounts of inorganic salts in urine (NaCl, KCl), which are detrimental to analytical instrumentation, e.g. chromatographic columns or mass spectrometers. Traditional desalting approaches applied to urine pretreatment suffer from the chemical losses, which reduce the information depth of analysis. We aimed to test a simple approach for the simultaneous preconcentration and desalting of organic solutes in urine based on the collection of induced bursting bubble aerosols above the surface of urine samples. Bursting bubbles were generated at ambient conditions by feeding gas through an air diffuser at the bottom of diluted (200 times in ultrapure water) urine solution (50-500 mL). Collected aerosols were analyzed by the direct-infusion electrospray ionization mass spectrometry (ESI-MS). The simultaneous preconcentration (ca. 6-12 fold) and desalting (ca. 6-10 fold) of organic solutes in urine was achieved by the bursting bubble sample pretreatment, which allowed ca. 3-times higher number of identified urine metabolites by high-resolution MS analysis. No notable chemical discrimination effects were observed. The increased degree of MS data clustering was demonstrated on the principal component analysis of data sets from the urine of healthy people and from the urine people with renal insufficiency. At least 10 times higher sensitivity of trace drug detection in urine was demonstrated for clenbuterol and salbutamol. Our results indicate the high versatility of bubble bursting as a simple pretreatment approach to enhance the chemical depth and sensitivity of urine analysis. |
| Institute | V.I. Kulakov Research Center for Obstetrics, Gynecology and Perinatology |
| Department | Department of System Biology in Reproduction |
| Laboratory | Laboratory for Proteomics and Metabolomics of Human Reproduction |
| Last Name | Chagovets |
| First Name | Vitaliy |
| Address | Oparina |
| vvchagovets@gmail.com | |
| Phone | +7916919146 |
| Submit Date | 2016-08-04 |
| Raw Data Available | Yes |
| Raw Data File Type(s) | raw(Thermo) |
| Analysis Type Detail | LC-MS |
| Release Date | 2016-09-23 |
| Release Version | 1 |
Select appropriate tab below to view additional metadata details:
Project:
| Project ID: | PR000342 |
| Project DOI: | doi: 10.21228/M8F019 |
| Project Title: | Preconcentration of organic solutes bubble bursting |
| Project Type: | MS qualitative analysis |
| Project Summary: | Development of methods for fast preparation of biological samples for MS analysis |
| Institute: | National Medical Research Center for Obstetrics, Gynecology and Perinatology |
| Department: | Department of System Biology in Reproduction |
| Laboratory: | Laboratory for Proteomics and Metabolomics of Human Reproduction |
| Last Name: | Chagovets |
| First Name: | Vitaliy |
| Address: | Oparina, 4, Moscow, gorod Moskva, 117997, Russian Federation |
| Email: | vvchagovets@gmail.com |
| Phone: | +79169191466 |
Subject:
| Subject ID: | SU000465 |
| Subject Type: | Human |
| Subject Species: | Homo sapiens |
| Taxonomy ID: | 9606 |
| Species Group: | Human |
Factors:
Subject type: Human; Subject species: Homo sapiens (Factor headings shown in green)
| mb_sample_id | local_sample_id | Sample Treatment |
|---|---|---|
| SA022620 | WBB2-2 | Bubbled |
| SA022621 | WBB2-1 | Bubbled |
| SA022622 | WB2-2 | Control |
| SA022623 | WB2-1 | Control |
| Showing results 1 to 4 of 4 |
Collection:
| Collection ID: | CO000459 |
| Collection Summary: | Freshly collected human urine |
| Sample Type: | Urine |
Treatment:
| Treatment ID: | TR000479 |
| Treatment Summary: | No treatment was applied |
Sample Preparation:
| Sampleprep ID: | SP000472 |
| Sampleprep Summary: | Bursting bubbles were generated at ambient conditions by feeding gas (1-100 kPa; 1-100 L/s) through an air diffuser at the bottom of diluted (200 times in ultrapure water) urine solution (50-500 mL). Diffusers with three different pore sizes were tested: 100 µm; 1-10 µm; 0.2-5 µm. The first diffuser was made in house by pulling 10 fused silica capillaries with i.d. 100 µm through a rubber piece. The second diffuser was made from porous ceramics and was purchased from Shiyuan Appliances, Shenzhongshan, Guangdong, China. The third diffuser was made from porous ceramics and was purchased from Junfeng Tradnig Ltd., Ningbo, Zhejiang, China. The bursting bubble aerosol was collected using a slanted glass slide fixed above the liquid surface. Typically, ca. 100 µL of aerosol was collected within 5-10 min from 500 mL bulk solution at the gas pressure of 10 kPa. |
Combined analysis:
| Analysis ID | AN000695 |
|---|---|
| Analysis type | MS |
| Chromatography type | Reversed phase |
| Chromatography system | Agilent 1100 |
| Column | homemade capillary (75ul id,12 cm,Reprosil-Pur Basic C18,3um,100 Å; Dr. Maisch HPLC GmbH,Germany) |
| MS Type | ESI |
| MS instrument type | LTQ-FT |
| MS instrument name | Thermo LTQ-FT Ultra |
| Ion Mode | POSITIVE |
| Units | Arbitrary Units |
Chromatography:
| Chromatography ID: | CH000503 |
| Chromatography Summary: | Chromatographic separations were performed on an nano-HPLC Agilent 1100 system (Agilent Technologies) equipped with a homemade capillary column (75 µl id, 12 cm, Reprosil-Pur Basic C18, 3 µm, 100 Å; Dr. Maisch HPLC GmbH, Germany) applying the following binary gradient at a flow rate of 0.3 µl/min: 0.1% formic acid in water (v/v, solvent A) and 0.1% formic acid in acetonitrile (v/v, solvent B), from 3% to 50% (v/v) of solvent B over 90 min followed by isocratic elution (95%, v/v, of solvent B) for 15 min. The injection volume was 1.0 µl (partial loop injection). |
| Instrument Name: | Agilent 1100 |
| Column Name: | homemade capillary (75ul id,12 cm,Reprosil-Pur Basic C18,3um,100 Å; Dr. Maisch HPLC GmbH,Germany) |
| Column Temperature: | Ambient |
| Flow Rate: | 0.3 µl/min |
| Solvent A: | 100% water; 0.1% formic acid |
| Solvent B: | 100% acetonitrile; 0.1% formic acid |
| Chromatography Type: | Reversed phase |
MS:
| MS ID: | MS000617 |
| Analysis ID: | AN000695 |
| Instrument Name: | Thermo LTQ-FT Ultra |
| Instrument Type: | LTQ-FT |
| MS Type: | ESI |
| Ion Mode: | POSITIVE |
