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.

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Study IDST000444
Study TitlePreconcentration of organic solutes in urine by bubble bursting
Study TypeSample preparation for MS analysis
Study SummaryThe 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
DepartmentDepartment of System Biology in Reproduction
LaboratoryLaboratory for Proteomics and Metabolomics of Human Reproduction
Last NameChagovets
First NameVitaliy
AddressOparina
Emailvvchagovets@gmail.com
Phone+7916919146
Submit Date2016-08-04
Raw Data AvailableYes
Raw Data File Type(s).raw
Analysis Type DetailLC-MS
Release Date2016-09-23
Release Version1
Vitaliy Chagovets Vitaliy Chagovets
https://dx.doi.org/10.21228/M8F019
ftp://www.metabolomicsworkbench.org/Studies/ application/zip

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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
SA022620WBB2-2Bubbled
SA022621WBB2-1Bubbled
SA022622WB2-2Control
SA022623WB2-1Control
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 column (75 µl id, 12 cm, Reprosil-Pur Basic C18, 3 µm, 100 Å; Dr. Maisch HPLC GmbH, Germany)
MS Type Other
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 column (75 µl id, 12 cm, Reprosil-Pur Basic C18, 3 µm, 100 Å; Dr. Maisch HPLC GmbH, Germany)
Column Temperature:Ambient
Flow Rate:0.3 µl/min
Solvent A:0.1% formic acid in water
Solvent B:0.1% formic acid in acetonitrile
Chromatography Type:Reversed phase

MS:

MS ID:MS000617
Analysis ID:AN000695
Instrument Name:Thermo LTQ-FT Ultra
Instrument Type:LTQ-FT
MS Type:Other
Ion Mode:POSITIVE
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