Summary of Study ST002211

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 PR001412. The data can be accessed directly via it's Project DOI: 10.21228/M86M67 This work is supported by NIH grant, U2C- DK119886.

See: https://www.metabolomicsworkbench.org/about/howtocite.php

Study ID	ST002211
Study Title	Effects of Medwakh Smoking on Oxidative Stress and Inflammation Among Youth in UAE using Liquid chromatography-mass spectrometry
Study Summary	Oxidative stress and inflammation are closely related, and inter-dependent pathophysiological processes. Oxidative stress plays a key role in the pathophysiology of several chronic inflammatory conditions that causes cellular alterations such as lipid damage, increase of cell permeability, apoptosis/cell death, alteration in growth factors, and signaling pathways.An imbalance between the production of reactive oxygen species (ROS) and their neutralization by the antioxidant system results in the onset of oxidative stress which subsequently leads to the release of chronic inflammatory mediators such as pro-inflammatory cytokines, which causes damages to DNA, proteins, and lipids.LC-MSMS is widely used for non-targeted and non-invasive metabolomics of biological samples including saliva in a variety of conditions such as inflammatory conditions, cancers, diabetes, etc. However, to the best of our knowledge, there are currently no metabolomics-based studies identifying salivary biomarkers associated with inflammation and oxidative stress utilizing HPLC-ESI-QTOF-MS. Therefore, in this study, we aim to discover the biochemical and physiological changes induced by medwak smoking and explore the metabolomics profile of medwak smokers with a focus on the markers of oxidative stress and inflammation in comparison to nonsmokers.
Institute	Sharjah Institute for Medical Research
Department	Wound Healing and Oral Diagnostics
Laboratory	Sharjah Institute for Medical Research
Last Name	K.G
First Name	Aghila Rani
Address	Sharjah, UAE
Email	anair@sharjah.ac.ae
Phone	0562206252
Submit Date	2022-06-20
Num Groups	2
Total Subjects	60
Num Males	60
Study Comments	NA
Publications	NA
Raw Data Available	Yes
Raw Data File Type(s)	d
Analysis Type Detail	LC-MS
Release Date	2024-01-01
Release Version	1

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Project:

Project ID:	PR001412
Project DOI:	doi: 10.21228/M86M67
Project Title:	Effects of Medwakh Smoking on Oxidative Stress and Inflammation Among Youth in UAE using Liquid chromatography-mass spectrometry
Project Type:	Untargeted metabolomics
Project Summary:	The use of alternative tobacco products is rampant among the youth in the Middle East and currently spreading worldwide. It is speculated that public policies that have proven effective in limiting cigarette usage and facilitating cessation of its use resulted in the widespread use of alternative tobacco products (ATPs) as major forms of tobacco delivery systems. Previous studies have reported the acute effects of smoking medwak on altering the systolic blood pressure, cardiovascular and respiratory systems. Smoking medwakh results in the release of a mixture of toxic chemicals including nicotine, carbon monoxide, and oxidizing gases 8-10. Inhalation of these toxic gases results in triggering of oxidative stress pathways that leads to endothelial dysfunction, inflammation, and platelet activation 11,12. Therefore, in this study, we aim to discover the biochemical and physiological changes induced by medwak smoking and explore the metabolomics profile of medwak smokers with a focus on the markers of oxidative stress and inflammation in comparison to nonsmokers.
Institute:	University of Sharjah
Department:	Wound Healing and Oral Diagnostics
Laboratory:	Sharjah Institute for Medical Research
Last Name:	K.G
First Name:	Aghila Rani
Address:	Sharjah, UAE
Email:	anair@sharjah.ac.ae
Phone:	0562206252
Funding Source:	Al Jalila
Project Comments:	NA
Publications:	NA
Contributors:	NA

Subject:

Subject ID:	SU002297
Subject Type:	Human
Subject Species:	Homo sapiens
Taxonomy ID:	9606
Age Or Age Range:	17-25
Gender:	Male

Factors:

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

mb_sample_id	local_sample_id	Treatment
SA211536	Saliva C23-01-5592	Non-smoker
SA211537	Saliva C22-02-5591	Non-smoker
SA211538	Saliva C23-02-5593	Non-smoker
SA211539	Saliva C24-02-5595	Non-smoker
SA211540	Saliva C26-02-5597	Non-smoker
SA211541	Saliva C22-01-5590	Non-smoker
SA211542	Saliva C24-01-5594	Non-smoker
SA211543	Saliva C21-02-5589	Non-smoker
SA211544	Saliva C19-02-5585	Non-smoker
SA211545	Saliva C19-01-5584	Non-smoker
SA211546	Saliva C20-01-5586	Non-smoker
SA211547	Saliva C20-02-5587	Non-smoker
SA211548	Saliva C21-01-5588	Non-smoker
SA211549	Saliva C28-01-5598	Non-smoker
SA211550	Saliva C29-01-5600	Non-smoker
SA211551	Saliva C33-01-5617	Non-smoker
SA211552	Saliva C32-02-5616	Non-smoker
SA211553	Saliva C33-02-5618	Non-smoker
SA211554	Saliva C34-01-5619	Non-smoker
SA211555	Saliva C01-01-5551	Non-smoker
SA211556	Saliva C34-02-5620	Non-smoker
SA211557	Saliva C32-01-5615	Non-smoker
SA211558	Saliva C31-02-5614	Non-smoker
SA211559	Saliva C29-02-5601	Non-smoker
SA211560	Saliva C18-02-5583	Non-smoker
SA211561	Saliva C30-01-5602	Non-smoker
SA211562	Saliva C30-02-5603	Non-smoker
SA211563	Saliva C31-01-5613	Non-smoker
SA211564	Saliva C28-02-5599	Non-smoker
SA211565	Saliva C26-01-5596	Non-smoker
SA211566	Saliva C07-01-5561	Non-smoker
SA211567	Saliva C05-02-5560	Non-smoker
SA211568	Saliva C07-02-5562	Non-smoker
SA211569	Saliva C08-01-5563	Non-smoker
SA211570	Saliva C09-01-5565	Non-smoker
SA211571	Saliva C08-02-5564	Non-smoker
SA211572	Saliva C05-01-5559	Non-smoker
SA211573	Saliva C04-02-5558	Non-smoker
SA211574	Saliva C18-01-5582	Non-smoker
SA211575	Saliva C01-02-5552	Non-smoker
SA211576	Saliva C02-02-5554	Non-smoker
SA211577	Saliva C03-01-5555	Non-smoker
SA211578	Saliva C04-01-5557	Non-smoker
SA211579	Saliva C03-02-5556	Non-smoker
SA211580	Saliva C09-02-5566	Non-smoker
SA211581	Saliva C02-01-5553	Non-smoker
SA211582	Saliva C15-02-5576	Non-smoker
SA211583	Saliva C15-01-5575	Non-smoker
SA211584	Saliva C16-01-5577	Non-smoker
SA211585	Saliva C16-02-5578	Non-smoker
SA211586	Saliva C11-01-5567	Non-smoker
SA211587	Saliva C17-02-5580	Non-smoker
SA211588	Saliva C14-02-5574	Non-smoker
SA211589	Saliva C17-01-5579	Non-smoker
SA211590	Saliva C12-01-5569	Non-smoker
SA211591	Saliva C11-02-5568	Non-smoker
SA211592	Saliva C14-01-5573	Non-smoker
SA211593	Saliva C12-02-5570	Non-smoker
SA211594	Saliva C13-01-5571	Non-smoker
SA211595	Saliva C13-02-5572	Non-smoker
SA211596	Saliva T21-01-5664	Smoker
SA211597	Saliva T20-02-5663	Smoker
SA211598	Saliva T23-01-5668	Smoker
SA211599	Saliva T22-02-5667	Smoker
SA211600	Saliva T22-01-5666	Smoker
SA211601	Saliva T21-02-5665	Smoker
SA211602	Saliva T18-02-5659	Smoker
SA211603	Saliva T17-01-5656	Smoker
SA211604	Saliva T23-02-5669	Smoker
SA211605	Saliva T17-02-5657	Smoker
SA211606	Saliva T18-01-5658	Smoker
SA211607	Saliva T19-02-5661	Smoker
SA211608	Saliva T19-01-5660	Smoker
SA211609	Saliva T20-01-5662	Smoker
SA211610	Saliva T27-02-5677	Smoker
SA211611	Saliva T29-01-5680	Smoker
SA211612	Saliva T28-02-5679	Smoker
SA211613	Saliva T29-02-5681	Smoker
SA211614	Saliva T30-01-5682	Smoker
SA211615	Saliva T16-02-5655	Smoker
SA211616	Saliva T30-02-5683	Smoker
SA211617	Saliva T28-01-5678	Smoker
SA211618	Saliva T27-01-5676	Smoker
SA211619	Saliva T25-01-5672	Smoker
SA211620	Saliva T24-02-5671	Smoker
SA211621	Saliva T25-02-5673	Smoker
SA211622	Saliva T26-01-5674	Smoker
SA211623	Saliva T26-02-5675	Smoker
SA211624	Saliva T24-01-5670	Smoker
SA211625	Saliva T01-01-5623	Smoker
SA211626	Saliva T06-01-5633	Smoker
SA211627	Saliva T05-02-5632	Smoker
SA211628	Saliva T06-02-5634	Smoker
SA211629	Saliva T07-01-5635	Smoker
SA211630	Saliva T08-01-5637	Smoker
SA211631	Saliva T07-02-5636	Smoker
SA211632	Saliva T05-01-5631	Smoker
SA211633	Saliva T04-02-5630	Smoker
SA211634	Saliva T02-01-5625	Smoker
SA211635	Saliva T01-02-5624	Smoker

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Collection:

Collection ID:	CO002290
Collection Summary:	Saliva samples were collected from 30 non smokers and 30 smokers. Participants were instructed to observe a two-hour fast without eating, smoking or drinking followed by a thorough rinsing of the mouth to presvent any sample contamination. Subjects were instructed to allow saliva to pool in the bottom of the mouth and drain it into sterile collection tubes. The samples were transferred to the lab in ice containers and centrifuged at 2500 rpm for 5 minutes at 4°C to remove cell debris, and the supernatants stored at 80°C until analysis.
Sample Type:	Saliva

Treatment:

Treatment ID:	TR002309
Treatment Summary:	Saliva samples were collected from non smokers and smokers. Participants were instructed to observe a two-hour fast without eating, smoking or drinking followed by a thorough rinsing of the mouth to presvent any sample contamination. Subjects were instructed to allow saliva to pool in the bottom of the mouth and drain it into sterile collection tubes. The samples were transferred to the lab in ice containers and centrifuged at 2500 rpm for 5 minutes at 4°C to remove cell debris, and the supernatants stored at 80°C until analysis.

Treatment ID:

TR002309

Treatment Summary:

Saliva samples were collected from non smokers and smokers. Participants were instructed to observe a two-hour fast without eating, smoking or drinking followed by a thorough rinsing of the mouth to presvent any sample contamination. Subjects were instructed to allow saliva to pool in the bottom of the mouth and drain it into sterile collection tubes. The samples were transferred to the lab in ice containers and centrifuged at 2500 rpm for 5 minutes at 4°C to remove cell debris, and the supernatants stored at 80°C until analysis.

Sample Preparation:

Sampleprep ID:	SP002303
Sampleprep Summary:	Protein was precipitated out via chloroform methanol precipitation and the metabolite containing supernatants taken forward for analysis.

Combined analysis:

Analysis ID	AN003615
Analysis type	MS
Chromatography type	Reversed phase
Chromatography system	Bruker Elute
Column	Hamilton Intensity Solo 2 C18
MS Type	ESI
MS instrument type	QTOF
MS instrument name	timsTOF
Ion Mode	POSITIVE
Units	AU

Chromatography:

Chromatography ID:	CH002670
Chromatography Summary:	uHPLC C18 Reversed phase
Instrument Name:	Bruker Elute
Column Name:	Hamilton Intensity Solo 2 C18
Column Temperature:	35
Flow Gradient:	1%B to 99%B in 15 min
Flow Rate:	250 uL/min
Solvent A:	100% water; 0.1% formic acid
Solvent B:	100% acetonitrile; 0.1% formic acid
Chromatography Type:	Reversed phase

MS:

MS ID:	MS003366
Analysis ID:	AN003615
Instrument Name:	timsTOF
Instrument Type:	QTOF
MS Type:	ESI
MS Comments:	MS2 data were acquired in data-dependent acquisition using a fixed cycle time of 3s and using a scan range of 20 - 1,300 Metaboscape 4.0 was used for feature detection, retention time alignment, deisotoping and metabolite identification.
Ion Mode:	POSITIVE