Summary of Study ST003800

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 PR002374. The data can be accessed directly via it's Project DOI: 10.21228/M8RZ4W 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	ST003800
Study Title	Salivary Metabolome Profiling in Smokeless Tobacco Users: A Comparative Study.
Study Summary	Objectives: The present study is conducted to investigate the biochemical and pathophysiological changes in saliva caused by smokeless tobacco (SLT) use relative to non-smokers. Materials and methods: Saliva samples collected from a total of 26 smokeless tobacco users and 26 non-smoking control individuals were subjected to untargeted metabolomics analysis. Metabolites from the saliva samples of all the participants were analyzed and processed via MetaboScape software version 4 (Bruker, Darmstadt, Germany). Results: We identified 74 differentially abundant salivary metabolites in the comparisons between controls and smokeless tobacco (SLT) users. Among the 74 metabolites, 9 were significantly different in SLT users. Nutriacholic acid and elaidic acid were upregulated in SLT users. Conclusions: Salivary metabolomic profiling revealed distinct metabolic alterations in smokeless tobacco users compared to controls, highlighting potential biomarkers for metabolites detection and monitoring
Institute	Sharjah Institute for Medical Research
Last Name	Facility
First Name	Core
Address	M32, SIMR, College of Pharmacy, Health Sciences, University of Sharjah
Email	tims-tof@sharjah.ac.ae
Phone	065057656
Submit Date	2025-03-02
Raw Data Available	Yes
Raw Data File Type(s)	mzML, d
Analysis Type Detail	LC-MS
Release Date	2025-09-01
Release Version	1

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Project:

Project ID:	PR002374
Project DOI:	doi: 10.21228/M8RZ4W
Project Title:	Salivary Metabolome Profiling in Smokeless Tobacco Users.
Project Summary:	Objectives: The present study is conducted to investigate the biochemical and pathophysiological changes in saliva caused by smokeless tobacco (SLT) use relative to non-smokers. Materials and methods: Saliva samples collected from a total of 26 smokeless tobacco user, and 26 non-smoking control individuals were subjected to untargeted metabolomics analysis. Metabolites from the saliva samples of all the participants were analyzed and processed via MetaboScape software version 4 (Bruker, Darmstadt, Germany). Results: We identified 74 differentially abundant salivary metabolites in the comparisons between controls and smokeless tobacco (SLT) users. Among the 74 metabolites, 9 were significantly different in SLT users. Nutriacholic acid and elaidic acid were upregulated in SLT users. Conclusions: Salivary metabolomic profiling revealed distinct metabolic alterations in smokeless tobacco users compared to controls, highlighting potential biomarkers for metabolites detection and monitoring.
Institute:	Sharjah Institute for Medical Research
Last Name:	Facility
First Name:	Core
Address:	M32, SIMR, College of Pharmacy, Health Sciences, University of Sharjah
Email:	tims-tof@sharjah.ac.ae
Phone:	065057656

Subject:

Subject ID:	SU003934
Subject Type:	Human
Subject Species:	Homo sapiens
Taxonomy ID:	9606

Factors:

Subject type: Human; Subject species: Homo sapiens (Factor headings shown in green)

mb_sample_id	local_sample_id	Treatment
SA416252	Saliva Control 21-01_39_1_3282	non-smoking control
SA416253	Saliva Control 16-01_34_1_3272	non-smoking control
SA416254	Saliva Control 16-02_34_1_3273	non-smoking control
SA416255	Saliva Control 17-01_35_1_3274	non-smoking control
SA416256	Saliva Control 17-02_35_1_3275	non-smoking control
SA416257	Saliva Control 18-01_36_1_3276	non-smoking control
SA416258	Saliva Control 18-02_36_1_3277	non-smoking control
SA416259	Saliva Control 19-01_37_1_3278	non-smoking control
SA416260	Saliva Control 19-02_37_1_3279	non-smoking control
SA416261	Saliva Control 20-01_38_1_3280	non-smoking control
SA416262	Saliva Control 20-02_38_1_3281	non-smoking control
SA416263	Saliva Control 21-02_39_1_3283	non-smoking control
SA416264	Saliva Control 15-01_33_1_3270	non-smoking control
SA416265	Saliva Control 22-01_40_1_3284	non-smoking control
SA416266	Saliva Control 22-02_40_1_3285	non-smoking control
SA416267	Saliva Control 23-01_41_1_3286	non-smoking control
SA416268	Saliva Control 23-02_41_1_3287	non-smoking control
SA416269	Saliva Control 24-01_42_1_3288	non-smoking control
SA416270	Saliva Control 24-02_42_1_3289	non-smoking control
SA416271	Saliva Control 25-01_43_1_3290	non-smoking control
SA416272	Saliva Control 25-02_43_1_3291	non-smoking control
SA416273	Saliva Control 26-01_44_1_3292	non-smoking control
SA416274	Saliva Control 26-02_44_1_3293	non-smoking control
SA416275	Saliva Control 01-02_19_1_3243	non-smoking control
SA416276	Saliva Control 15-02_33_1_3271	non-smoking control
SA416277	Saliva Control 01-01_19_1_3242	non-smoking control
SA416278	Saliva Control 14-02_32_1_3269	non-smoking control
SA416279	Saliva Control 07-02_25_1_3255	non-smoking control
SA416280	Saliva Control 14-01_32_1_3268	non-smoking control
SA416281	Saliva Control 02-02_20_1_3245	non-smoking control
SA416282	Saliva Control 03-01_21_1_3246	non-smoking control
SA416283	Saliva Control 03-02_21_1_3247	non-smoking control
SA416284	Saliva Control 04-01_22_1_3248	non-smoking control
SA416285	Saliva Control 04-02_22_1_3249	non-smoking control
SA416286	Saliva Control 05-01_23_1_3250	non-smoking control
SA416287	Saliva Control 05-02_23_1_3251	non-smoking control
SA416288	Saliva Control 06-01_24_1_3252	non-smoking control
SA416289	Saliva Control 06-02_24_1_3253	non-smoking control
SA416290	Saliva Control 07-01_25_1_3254	non-smoking control
SA416291	Saliva Control 02-01_20_1_3244	non-smoking control
SA416292	Saliva Control 08-01_26_1_3256	non-smoking control
SA416293	Saliva Control 11-02_29_1_3263	non-smoking control
SA416294	Saliva Control 08-02_26_1_3257	non-smoking control
SA416295	Saliva Control 13-01_31_1_3266	non-smoking control
SA416296	Saliva Control 12-02_30_1_3265	non-smoking control
SA416297	Saliva Control 12-01_30_1_3264	non-smoking control
SA416298	Saliva Control 13-02_31_1_3267	non-smoking control
SA416299	Saliva Control 11-01_29_1_3262	non-smoking control
SA416300	Saliva Control 10-02_28_1_3261	non-smoking control
SA416301	Saliva Control 10-01_28_1_3260	non-smoking control
SA416302	Saliva Control 09-02_27_1_3259	non-smoking control
SA416303	Saliva Control 09-01_27_1_3258	non-smoking control
SA416304	Saliva Test 20-02_64_1_3333	smokeless tobacco users
SA416305	Saliva Test 16-01_60_1_3324	smokeless tobacco users
SA416306	Saliva Test 16-02_60_1_3325	smokeless tobacco users
SA416307	Saliva Test 17-01_61_1_3326	smokeless tobacco users
SA416308	Saliva Test 17-02_61_1_3327	smokeless tobacco users
SA416309	Saliva Test 18-01_62_1_3328	smokeless tobacco users
SA416310	Saliva Test 18-02_62_1_3329	smokeless tobacco users
SA416311	Saliva Test 19-01_63_1_3330	smokeless tobacco users
SA416312	Saliva Test 19-02_63_1_3331	smokeless tobacco users
SA416313	Saliva Test 20-01_64_1_3332	smokeless tobacco users
SA416314	Saliva Test 15-02_59_1_3323	smokeless tobacco users
SA416315	Saliva Test 23-02_67_1_3339	smokeless tobacco users
SA416316	Saliva Test 21-01_65_1_3334	smokeless tobacco users
SA416317	Saliva Test 21-02_65_1_3335	smokeless tobacco users
SA416318	Saliva Test 22-01_66_1_3336	smokeless tobacco users
SA416319	Saliva Test 22-02_66_1_3337	smokeless tobacco users
SA416320	Saliva Test 23-01_67_1_3338	smokeless tobacco users
SA416321	Saliva Test 24-01_68_1_3340	smokeless tobacco users
SA416322	Saliva Test 24-02_68_1_3341	smokeless tobacco users
SA416323	Saliva Test 25-01_69_1_3342	smokeless tobacco users
SA416324	Saliva Test 25-02_69_1_3343	smokeless tobacco users
SA416325	Saliva Test 26-01_70_1_3344	smokeless tobacco users
SA416326	Saliva Test 26-02_70_1_3345	smokeless tobacco users
SA416327	Saliva Test 14-02_58_1_3321	smokeless tobacco users
SA416328	Saliva Test 15-01_59_1_3322	smokeless tobacco users
SA416329	Saliva Test 08-01_52_1_3308	smokeless tobacco users
SA416330	Saliva Test 14-01_58_1_3320	smokeless tobacco users
SA416331	Saliva Test 06-02_50_1_3305	smokeless tobacco users
SA416332	Saliva Test 01-02_45_1_3295	smokeless tobacco users
SA416333	Saliva Test 02-01_46_1_3296	smokeless tobacco users
SA416334	Saliva Test 02-02_46_1_3297	smokeless tobacco users
SA416335	Saliva Test 03-01_47_1_3298	smokeless tobacco users
SA416336	Saliva Test 03-02_47_1_3299	smokeless tobacco users
SA416337	Saliva Test 04-01_48_1_3300	smokeless tobacco users
SA416338	Saliva Test 04-02_48_1_3301	smokeless tobacco users
SA416339	Saliva Test 05-01_49_1_3302	smokeless tobacco users
SA416340	Saliva Test 05-02_49_1_3303	smokeless tobacco users
SA416341	Saliva Test 06-01_50_1_3304	smokeless tobacco users
SA416342	Saliva Test 07-01_51_1_3306	smokeless tobacco users
SA416343	Saliva Test 13-02_57_1_3319	smokeless tobacco users
SA416344	Saliva Test 07-02_51_1_3307	smokeless tobacco users
SA416345	Saliva Test 08-02_52_1_3309	smokeless tobacco users
SA416346	Saliva Test 09-01_53_1_3310	smokeless tobacco users
SA416347	Saliva Test 09-02_53_1_3311	smokeless tobacco users
SA416348	Saliva Test 10-01_54_1_3312	smokeless tobacco users
SA416349	Saliva Test 10-02_54_1_3313	smokeless tobacco users
SA416350	Saliva Test 11-01_55_1_3314	smokeless tobacco users
SA416351	Saliva Test 11-02_55_1_3315	smokeless tobacco users

Showing page 1 of 2 Results: 1 2 Next Showing results 1 to 100 of 104

Collection:

Collection ID:	CO003927
Collection Summary:	Saliva collection and storage To investigate the impact of SLT use on the study population and the development of oral cancer, we recruited 68 participants and divided them into three groups: 26 control participants (mean age: 34.08 ± 2.8 years), 26 smokeless tobacco users (mean age: 35.6 ± 4.1 years). The study protocol was approved by the Research Ethics Committee (REC-22–06–18) in accordance with ethical principles, including the Helsinki Declaration. All methods and procedures adhered to relevant guidelines and regulations, ensuring informed consent and the maintenance of privacy and confidentiality. Inclusion criteria for this study included smokeless tobacco users aged 18 years or older who had been using the product for at least two years, non-smokers aged 20 years or older who served as the control group. Exclusion criteria included pregnancy and active oral inflammation. Participants were instructed to refrain from eating, smoking, and drinking for two hours and to thoroughly rinse their mouths to prevent sample contamination before initiating sample collection. Samples were transported in ice containers to the laboratory, where they were centrifuged for 5 minutes at 5000 rpm at 4°C to remove cell debris. The supernatants were then frozen at -80°C until further analysis.
Sample Type:	Saliva

Treatment:

Treatment ID:	TR003943
Treatment Summary:	No treatments were given. Materials and methods: Saliva samples collected from a total of 26 smokeless tobacco users and 26 non-smoking control individuals

Sample Preparation:

Sampleprep ID:	SP003940
Sampleprep Summary:	Metabolites extraction and sample preparation Samples were thawed at room temperature, and 100 µL from each sample is mixed with 300 µL methanol (≥99.9%, LC–MS CHROMASOLV) for protein precipitation. After vortexing and incubating at −20 °C for 2 hours, the samples were vortexed again, centrifuged at 14,000 rpm for 15 minutes, and the supernatants transferred to glass vials. These supernatants were then evaporated in a SpeedVac EZ-2 Plus (GeneVac, Ipswich, UK) at a controlled temperature of 35–40 °C to prevent heat-sensitive metabolite degradation. The dried extracts were resuspended in 200 µL of deionized water containing 0.1% formic acid (LC-MS CHROMASOLV, Honeywell, Seelze, Germany), vortexed for 2 minutes for thorough mixing, and filtered using a 0.45 µm hydrophilic nylon syringe filter to remove particulates before LC-MS/MS analysis. To assess reproducibility, equal volumes (10 µL) of all samples were pooled to create a quality control (QC) sample, which is placed in the autosampler at 4 °C for analysis.

Sampleprep ID:

SP003940

Sampleprep Summary:

Metabolites extraction and sample preparation Samples were thawed at room temperature, and 100 µL from each sample is mixed with 300 µL methanol (≥99.9%, LC–MS CHROMASOLV) for protein precipitation. After vortexing and incubating at −20 °C for 2 hours, the samples were vortexed again, centrifuged at 14,000 rpm for 15 minutes, and the supernatants transferred to glass vials. These supernatants were then evaporated in a SpeedVac EZ-2 Plus (GeneVac, Ipswich, UK) at a controlled temperature of 35–40 °C to prevent heat-sensitive metabolite degradation. The dried extracts were resuspended in 200 µL of deionized water containing 0.1% formic acid (LC-MS CHROMASOLV, Honeywell, Seelze, Germany), vortexed for 2 minutes for thorough mixing, and filtered using a 0.45 µm hydrophilic nylon syringe filter to remove particulates before LC-MS/MS analysis. To assess reproducibility, equal volumes (10 µL) of all samples were pooled to create a quality control (QC) sample, which is placed in the autosampler at 4 °C for analysis.

Chromatography:

Chromatography ID:	CH004739
Chromatography Summary:	The system featured an electrospray ionization (ESI) source, a solvent delivery system pump (Elute UHPLC HPG 1300), an autosampler, and a thermostat-controlled column compartment. The operating system was Windows 10 Enterprise 2016 LTSB, and the software utilized included Bruker Compass HyStar 5.0 SR1 Patch1 (5.0.37.1) and Compass 4.1, Version 6.2. The LC-MS/MS analysis was performed using an ultra-high-performance liquid chromatography (UHPLC) system (Bruker Daltonik GmbH, Bremen, Germany) coupled with a quadrupole time-of-flight (QTOF) mass spectrometer. Two mobile phases were employed: Phase A, comprising water with 0.1% formic acid, and Phase B, comprising acetonitrile with 0.1% formic acid. The gradient program initiated with a flow rate of 0.25 ml/min with 99% A and 1% B from 0 to 2 minutes, transitioning to 1% A and 99% B from 2 to 17 minutes. This was maintained from 17 to 20 minutes, followed by a return to 99% A and 1% B from 20 to 20.1 minutes. The flow rate was adjusted to 0.35 mL/min from 20.1 to 28.5 minutes, and subsequently reverted to 0.25 mL/min at 28.5 to 30 minutes. 10µL from each sample was injected and metabolites were separated on a Hamilton® Intensity Solo 2 C18 column (100 mm × 2.1 mm × 1.8 µm), with the oven temperature maintained at 35 °C.
Instrument Name:	Bruker Elute
Column Name:	Hamilton Intensity Solo 2 C18 (100 × 2.1mm, 1.8um)
Column Temperature:	35 °C
Flow Gradient:	The gradient program initiated with a flow rate of 0.25 ml/min with 99% A and 1% B from 0 to 2 minutes, transitioning to 1% A and 99% B from 2 to 17 minutes. This was maintained from 17 to 20 minutes, followed by a return to 99% A and 1% B from 20 to 20.1 minutes. The flow rate was adjusted to 0.35 mL/min from 20.1 to 28.5 minutes, and subsequently reverted to 0.25 mL/min at 28.5 to 30 minutes
Flow Rate:	0.25mL/min - 0.35mL/min
Solvent A:	100% Water; 0.1% Formic Acid
Solvent B:	100% acetonitrile; 0.1% Formic Acid
Chromatography Type:	Reversed phase

Analysis:

Analysis ID:	AN006248
Analysis Type:	MS
Chromatography ID:	CH004739
Num Factors:	2
Num Metabolites:	74
Units:	AU