#METABOLOMICS WORKBENCH MIDelgadoDolset_20210317_070437_mwtab.txt DATATRACK_ID:2533 STUDY_ID:ST001734 ANALYSIS_ID:AN002823 PROJECT_ID:000000
VERSION             	1
CREATED_ON             	March 25, 2021, 11:12 am
#PROJECT
PR:PROJECT_TITLE                 	LC-MS Nasal Polyp analysis
PR:PROJECT_SUMMARY               	Analysis of human samples from patients with nasal polyps with and without
PR:PROJECT_SUMMARY               	allergy.
PR:INSTITUTE                     	CEMBIO
PR:LAST_NAME                     	Delgado Dolset
PR:FIRST_NAME                    	María Isabel
PR:ADDRESS                       	Urb. Montepríncipe s/n, Ctra. Boadilla del Monte km 5.3, Madrid, Madrid, 28668,
PR:ADDRESS                       	Spain
PR:EMAIL                         	maria.delgadodolset@beca.ceu.es
PR:PHONE                         	+34 913724700 4665
#STUDY
ST:STUDY_TITLE                   	Understanding systemic and local inflammation induced by nasal polyposis: role
ST:STUDY_TITLE                   	of the allergic phenotype (part-II)
ST:STUDY_SUMMARY                 	Chronic rhinosinusitis with nasal polyps (CRSwNP) is characterized by persistent
ST:STUDY_SUMMARY                 	symptoms associated to the development of nasal polyps. To this day, the
ST:STUDY_SUMMARY                 	molecular mechanisms involved are still not well defined. However, it has been
ST:STUDY_SUMMARY                 	suggested that a sustained inflammation as allergy is involved in its onset. In
ST:STUDY_SUMMARY                 	this pilot study, we aimed to look into the effect of the allergic status of the
ST:STUDY_SUMMARY                 	patient and in their underlying mechanisms. To achieve this, we recruited 22
ST:STUDY_SUMMARY                 	patients with CRSwNP and classified them in non-allergic and allergic using
ST:STUDY_SUMMARY                 	ImmunoCAP ISAC molecular diagnosis. Plasma samples were analyzed using liquid
ST:STUDY_SUMMARY                 	chromatography coupled to mass spectrometry (LC-MS). Subsequently, the
ST:STUDY_SUMMARY                 	identified changed metabolites from plasma that were commercially available were
ST:STUDY_SUMMARY                 	then analyzed by targeted analysis in some nasal polyps. Additionally, nasal
ST:STUDY_SUMMARY                 	polyp and mucosa tissue samples were examined for eosinophils and neutrophils.
ST:STUDY_SUMMARY                 	We found that 9 out of the 22 patients were sensitized to some aeroallergens
ST:STUDY_SUMMARY                 	(named as allergic). The other 13 patients had no sensitizations (non-allergic).
ST:STUDY_SUMMARY                 	Regarding metabolomics, we found that bilirubin, cortisol,
ST:STUDY_SUMMARY                 	lysophosphatidylcholines (LPCs) 16:0, 18:0 and 20:4 and lysophosphatidylinositol
ST:STUDY_SUMMARY                 	(LPI) 20:4, metabolites that are usually related to a sustained allergic
ST:STUDY_SUMMARY                 	inflammation, were unexpectedly increased in the plasma of non-allergic patients
ST:STUDY_SUMMARY                 	with CRSwNP compared to allergic patients with CRSwNP. LPC 16:0, LPC 18:0 and
ST:STUDY_SUMMARY                 	LPI 20:4 metabolites followed the same trend in the nasal polyp as they did in
ST:STUDY_SUMMARY                 	plasma. Comparison of nasal polyps with nasal mucosa tissue showed a significant
ST:STUDY_SUMMARY                 	increase in eosinophils (p < 0.001) and neutrophils (p < 0.01) in allergic
ST:STUDY_SUMMARY                 	patients with CRSwNP. There were also more eosinophils in the polyps of
ST:STUDY_SUMMARY                 	non-allergic patients with CRSwNP than in their nasal mucosa (p <0.01). The
ST:STUDY_SUMMARY                 	polyps from non-allergic patients with CRSwNP had less eosinophils than the
ST:STUDY_SUMMARY                 	polyps of allergic patients with CRSwNP (p < 0.05). Our data suggests that there
ST:STUDY_SUMMARY                 	is a systemic inflammatory response associated to CRSwNP in the absence of
ST:STUDY_SUMMARY                 	allergy, which could be accountable for the nasal polyp development. Allergic
ST:STUDY_SUMMARY                 	patients with CRSwNP presented a higher number of eosinophils located in nasal
ST:STUDY_SUMMARY                 	polyps suggesting that eosinophilia might be connected to the development of
ST:STUDY_SUMMARY                 	nasal polyps in these patients.
ST:INSTITUTE                     	CEMBIO
ST:LAST_NAME                     	Delgado Dolset
ST:FIRST_NAME                    	María Isabel
ST:ADDRESS                       	Urb. Montepríncipe s/n, Ctra. Boadilla del Monte km 5.3, Madrid, Madrid, 28668,
ST:ADDRESS                       	Spain
ST:EMAIL                         	maria.delgadodolset@beca.ceu.es
ST:PHONE                         	+34 913724700 4665
ST:NUM_GROUPS                    	2
ST:TOTAL_SUBJECTS                	22
#SUBJECT
SU:SUBJECT_TYPE                  	Human
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
#FACTORS
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data
SUBJECT_SAMPLE_FACTORS           	-	POL-04	group:non-allergic	RAW_FILE_NAME=POL04b.d POL04c.d POL04d.d POL04e.d
SUBJECT_SAMPLE_FACTORS           	-	POL-06	group:non-allergic	RAW_FILE_NAME=POL06b.d POL06c.d POL06d.d POL06e.d
SUBJECT_SAMPLE_FACTORS           	-	POL-14	group:non-allergic	RAW_FILE_NAME=POL14b.d POL14c.d POL14d.d POL14e.d
SUBJECT_SAMPLE_FACTORS           	-	POL-15	group:allergic	RAW_FILE_NAME=POL15b.d POL15c.d POL15d.d POL15e.d
SUBJECT_SAMPLE_FACTORS           	-	POL-19	group:allergic	RAW_FILE_NAME=POL19b.d POL19c.d POL19d.d POL19e.d
SUBJECT_SAMPLE_FACTORS           	-	POL-36	group:allergic	RAW_FILE_NAME=POL36b.d POL36c.d POL36d.d POL36e.d
#COLLECTION
CO:COLLECTION_SUMMARY            	During endoscopic surgical procedures to remove the polyp, 5 mm biopsies of
CO:COLLECTION_SUMMARY            	nasal polyp were obtained and kept in RNA later.
CO:SAMPLE_TYPE                   	Nasal Polyp tissue
CO:STORAGE_CONDITIONS            	-80℃
#TREATMENT
TR:TREATMENT_SUMMARY             	Nasal polyp samples were kept in RNA later and stored at -80ºC until
TR:TREATMENT_SUMMARY             	preparation
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	RNAlater solvent was removed by washing the tissue 3 times with PBS 1X. Then,
SP:SAMPLEPREP_SUMMARY            	the polyp was frozen in liquid nitrogen for 30 seconds. The frozen sample was
SP:SAMPLEPREP_SUMMARY            	put in cryoPREPTMCP02 (Covaris, MA, United States) plastic bags and submerged
SP:SAMPLEPREP_SUMMARY            	again for 30 seconds in liquid nitrogen. Once the plastic bag was inside the
SP:SAMPLEPREP_SUMMARY            	automated cryoPREPTMCP02, two consecutive impact forces of levels 2 and 4 out of
SP:SAMPLEPREP_SUMMARY            	6 were applied. The resultant powder was gathered and weighted. Then, 100 µL of
SP:SAMPLEPREP_SUMMARY            	cold methanol:ethanol (1:1, v/v) and 0.5 µL of internal standard (LPC 18:1-d7;
SP:SAMPLEPREP_SUMMARY            	0.01mM) were added per each 10 mg of tissue for metabolite extraction and
SP:SAMPLEPREP_SUMMARY            	protein precipitation. Samples were then vortex-mixed and homogenized using
SP:SAMPLEPREP_SUMMARY            	Tissue-Lyser LT homogenizer (Qiagen, Germany) for 5 min at 50 Hz, 3 times.
SP:SAMPLEPREP_SUMMARY            	Supernatant containing the metabolites was separated from the pellet by
SP:SAMPLEPREP_SUMMARY            	centrifugation (2,000 rcf for 10 min at 4 °C). Then, an aliquot of 70 µL was
SP:SAMPLEPREP_SUMMARY            	transferred to an LC vial and diluted with 490 µL of mobile phase (5% water:
SP:SAMPLEPREP_SUMMARY            	95% acetonitrile; both with 7.5 mM ammonium acetate and 0.1% acetic acid). All
SP:SAMPLEPREP_SUMMARY            	samples were randomized before metabolite extraction and for the corresponding
SP:SAMPLEPREP_SUMMARY            	analytical run.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	We used HPLC system (1260 Infinity, Agilent Technologies). Metabolites were
CH:CHROMATOGRAPHY_SUMMARY        	separated on a Kinetex hydrophilic interaction liquid chromatography (HILIC)
CH:CHROMATOGRAPHY_SUMMARY        	silica column (150 mm × 2.1 mm, particle size 100Å, Phenomenex, USA)
CH:CHROMATOGRAPHY_SUMMARY        	maintained at 25 ºC. The mobile phases consisted of A) water, and B)
CH:CHROMATOGRAPHY_SUMMARY        	acetonitrile, both with 7.5 mM ammonium acetate and 0.1% acetic acid, with a
CH:CHROMATOGRAPHY_SUMMARY        	final pH of 4.0 in the aqueous phase. The flow rate was 0.5 mL/min with an
CH:CHROMATOGRAPHY_SUMMARY        	injection volume of 5 µl. Gradient started with 5% of A for 2 min, then
CH:CHROMATOGRAPHY_SUMMARY        	increased up to 50% until 12 min, and back to initial conditions until 22 min.
CH:CHROMATOGRAPHY_TYPE           	HILIC
CH:INSTRUMENT_NAME               	Agilent 1260
CH:COLUMN_NAME                   	Phenomenex Kinetex HILIC 100A (50 x 2.1 mm, 2.6um)
CH:FLOW_RATE                     	0.5 mL/min
CH:COLUMN_TEMPERATURE            	25ºC
CH:SOLVENT_A                     	7.5 mM ammonium acetate + 0.1% acetic acid on water (pH=4)
CH:SOLVENT_B                     	7.5 mM ammonium acetate + 0.1% acetic acid on acetonitrile
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:LABORATORY_NAME               	CEMBIO
#MS
MS:INSTRUMENT_NAME               	Agilent 6470 QQQ
MS:INSTRUMENT_TYPE               	Triple quadrupole
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	NEGATIVE
MS:MS_COMMENTS                   	The MS conditions were: 5500 V of capillary voltage in positive ESI mode, a
MS:MS_COMMENTS                   	nebulizer gas flow rate of 11.0 L/min; a source temperature of 250 °C; and a
MS:MS_COMMENTS                   	source pressure of 60 psi. The sample tray temperature was maintained at 4 °C.
MS:MS_COMMENTS                   	Each transition was optimized adjusting the fragmentor and collision energy
MS:MS_COMMENTS                   	voltages. Data were acquired in MassHunter Workstation B.05.00 (Agilent
MS:MS_COMMENTS                   	Technologies), and re-processed using MassHunter QQQ Quantitative Analysis
MS:MS_COMMENTS                   	B.08.00 (Agilent) where peak areas were integrated. Concentration of metabolites
MS:MS_COMMENTS                   	were calculated using calibration curves with the standard addition method.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	ug/mg
MS_METABOLITE_DATA_START
Samples	POL-04	POL-06	POL-14	POL-15	POL-19	POL-36
Factors	group:non-allergic	group:non-allergic	group:non-allergic	group:allergic	group:allergic	group:allergic
Bilirubin	8.57E-05	7.69E-04	1.40E-05	4.76E-06	8.54E-04	1.93E-03
LPI 20 4	7.42E-02	9.49E-02	4.04E-02	4.36E-02	3.76E-02	5.44E-02
LPC 18 0	1.11E-01	9.26E-02	4.39E-02	6.11E-02	6.30E-02	8.51E-02
LPC 16 0	2.45E-01	1.89E-01	1.19E-01	1.64E-01	1.60E-01	2.11E-01
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name
Bilirubin
LPI 20 4
LPC 18 0
LPC 16 0
METABOLITES_END
#END