#METABOLOMICS WORKBENCH bahgatfayed_20241123_224140 DATATRACK_ID:5388 STUDY_ID:ST003612 ANALYSIS_ID:AN005937 PROJECT_ID:PR002232
VERSION                          	1
CREATED_ON                       	12-09-2024
#PROJECT
PR:PROJECT_TITLE                 	Candida auris planktonic and dispersed cells Chromatographic analysis using
PR:PROJECT_TITLE                 	GC-MS
PR:PROJECT_SUMMARY               	The emerging Candida auris (C. auris) has caused several outbreaks globally.
PR:PROJECT_SUMMARY               	While several studies explored the resistant biofilm formed by C. auris, little
PR:PROJECT_SUMMARY               	is known regarding the cells dispersed following biofilm formation. Herein, I
PR:PROJECT_SUMMARY               	investigated and characterized the cells dispersed from C. auris biofilms. Cells
PR:PROJECT_SUMMARY               	dispersed from biofilm developed in 96 well plate were isolated and counted.
PR:PROJECT_SUMMARY               	GC-MS analysis indicated that dispersed cells exhibit altered metabolic profile
PR:PROJECT_SUMMARY               	that enhance cells survivability under stress and nutrient limit condition. The
PR:PROJECT_SUMMARY               	presented study is the first to explore C. auris dispersed cells and indicated
PR:PROJECT_SUMMARY               	that they are not able to revert to the planktonic mode once released from the
PR:PROJECT_SUMMARY               	biofilm.
PR:INSTITUTE                     	National Research Centre, Dokki, Egypt
PR:LAST_NAME                     	Fayed
PR:FIRST_NAME                    	Bahgat
PR:ADDRESS                       	Dokki, Giza, Cairo, 11433, Egypt
PR:EMAIL                         	bm.ezzat@nrc.sci.eg
PR:PHONE                         	+201098292083
PR:DOI                           	http://dx.doi.org/10.21228/M8424B
#STUDY
ST:STUDY_TITLE                   	Candida auris planktonic and dispersed cells Chromatographic analysis using
ST:STUDY_TITLE                   	GC-MS
ST:STUDY_SUMMARY                 	The emerging Candida auris (C. auris) has caused several outbreaks globally.
ST:STUDY_SUMMARY                 	While several studies explored the resistant biofilm formed by C. auris, little
ST:STUDY_SUMMARY                 	is known regarding the cells dispersed following biofilm formation. Herein, I
ST:STUDY_SUMMARY                 	investigated and characterized the cells dispersed from C. auris biofilms. Cells
ST:STUDY_SUMMARY                 	dispersed from biofilm developed in 96 well plate were isolated and counted.
ST:STUDY_SUMMARY                 	GC-MS analysis indicated that dispersed cells exhibit altered metabolic profile
ST:STUDY_SUMMARY                 	that enhance cells survivability under stress and nutrient limit condition. The
ST:STUDY_SUMMARY                 	presented study is the first to explore C. auris dispersed cells and indicated
ST:STUDY_SUMMARY                 	that they are not able to revert to the planktonic mode once released from the
ST:STUDY_SUMMARY                 	biofilm.
ST:INSTITUTE                     	National Research Centre, Dokki, Egypt
ST:LAST_NAME                     	Fayed
ST:FIRST_NAME                    	Bahgat
ST:ADDRESS                       	Dokki
ST:EMAIL                         	bm.ezzat@nrc.sci.eg
ST:PHONE                         	+201098292083
ST:SUBMIT_DATE                   	2024-11-23
#SUBJECT
SU:SUBJECT_TYPE                  	Yeast
SU:SUBJECT_SPECIES               	Candida auris
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	-	sample tested	Sample source:Candida auris dispersed cells | Geno type:Wild	RAW_FILE_NAME(Raw_file_name)=RESULTS-S raw
SUBJECT_SAMPLE_FACTORS           	-	Control	Sample source:Candida auris planktonic cells | Geno type:Wild	RAW_FILE_NAME(Raw_file_name)=RESULTS-C raw
#COLLECTION
CO:COLLECTION_SUMMARY            	C. auris dispersed cell were allowed to grow in 250-mL Erlenmeyer flasks
CO:COLLECTION_SUMMARY            	containing 50 mL of SD broth media for 3 days at 30°C. Following incubation,
CO:COLLECTION_SUMMARY            	the supernatant was separated by centrifugation for 20 min at 4000 rpm. The
CO:COLLECTION_SUMMARY            	resulting supernatant was extracted with 100 mL ethyl acetate.
CO:SAMPLE_TYPE                   	Candida auris
#TREATMENT
TR:TREATMENT_SUMMARY             	Isolation of cells dispersed from C. auris biofilm C. auris biofilms were
TR:TREATMENT_SUMMARY             	developed by loading 1×106 cells/ml in RPMI-1640 supplemented with 2% glucose
TR:TREATMENT_SUMMARY             	and then incubating for 24 h at 37°C in 96-well flat-bottomed microplates [17].
TR:TREATMENT_SUMMARY             	Following incubation, the supernatant containing floating cells was removed, the
TR:TREATMENT_SUMMARY             	formed biofilm was washed 3 times with PBS, fresh media was added, and the
TR:TREATMENT_SUMMARY             	biofilm was incubated for an additional 24 h under the same conditions. The next
TR:TREATMENT_SUMMARY             	day, the cells dispersed from the biofilm in the upper supernatant were
TR:TREATMENT_SUMMARY             	collected, counted by a hemocytometer and maintained in SD media or stored in
TR:TREATMENT_SUMMARY             	30% glycerol for further use.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	C. auris dispersed cell were allowed to grow in 250-mL Erlenmeyer flasks
SP:SAMPLEPREP_SUMMARY            	containing 50 mL of SD broth media for 3 days at 30°C. Following incubation,
SP:SAMPLEPREP_SUMMARY            	the supernatant was separated by centrifugation for 20 min at 4000 rpm. The
SP:SAMPLEPREP_SUMMARY            	resulting supernatant was extracted with 100 mL ethyl acetate. After the
SP:SAMPLEPREP_SUMMARY            	extraction step, the organic phases were dried on anhydrous MgSO4, filtered, and
SP:SAMPLEPREP_SUMMARY            	concentrated under reduced pressure. The parent C. auris planktonic cells served
SP:SAMPLEPREP_SUMMARY            	as control.
#CHROMATOGRAPHY
CH:INSTRUMENT_NAME               	Agilent 7890B
CH:COLUMN_NAME                   	Agilent DB5-MS (15m x 0.25mm, 0.25um)
CH:COLUMN_TEMPERATURE            	300°C
CH:FLOW_GRADIENT                 	nothing
CH:FLOW_RATE                     	nothing
CH:SOLVENT_A                     	nothing
CH:SOLVENT_B                     	nothing
CH:CHROMATOGRAPHY_TYPE           	GC
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Agilent 7890B
MS:INSTRUMENT_TYPE               	GC-MS
MS:MS_TYPE                       	EI
MS:MS_COMMENTS                   	The sample analysis began with the column held at 60°C for 5 minutes
MS:MS_COMMENTS                   	post-injection. The temperature was subsequently increased to 300°C at a rate
MS:MS_COMMENTS                   	of 20°C per minute, followed by a 5-minute hold. The injection was performed in
MS:MS_COMMENTS                   	split mode with a split ratio of 5:1 at 300°C. The MS scan range was 50–550
MS:MS_COMMENTS                   	atomic mass units (AMU) under electron impact ionization (70 eV), with a solvent
MS:MS_COMMENTS                   	delay of 8.0 minutes. The constituents were identified by mass fragmentations
MS:MS_COMMENTS                   	using the NIST mass spectral search program for the NIST/EPA/NIH mass spectral
MS:MS_COMMENTS                   	library Version 2.2 (Jun 2014).
MS:ION_MODE                      	POSITIVE
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	Area Pct
MS_METABOLITE_DATA_START
Samples	sample tested	Control
Factors	Sample source:Candida auris dispersed cells | Geno type:Wild	Sample source:Candida auris planktonic cells | Geno type:Wild	
1_2_3_4-Butanetetrol_ 1-[2-(2-fluorophenyl)-2H-1_2_3-triazol-4-yl]-_ [1R-(1R*_2S*_3R*)]-		2.2251
(+)-1_2_3_4-Tetrahydroisoquinoline_ 1-benzyl-6_7-dimethoxy-		1.2848
13-Octadecenoic acid		0.3852
1_4_6-Trimethyl-1_2_3_3a_4_7_8_8a-octahydro-4_7-ethanoazulene		3.9742
1-[4-(Acridin-9-ylamino)-phenyl]-ethanone		2.4725
1-Ethoxy-2-propanol	2.2272	2.0329
1H-1_2_3-Triazolo[4_5-c]quinoline-1-hexanoic acid	0.5572	
1-Octadecene		0.3986
1-Phenyl-2-(2-trimethylsilylcyclopropen-1-yl)ethanol		0.1934
[2-(2-Ethoxyethoxy)ethoxy]acetic acid		0.2965
2_4-Heptanedione_ 6-[[2-(2_3_8_8a-tetrahydro-5_8a-dimethyl-7-oxoimidazo[1_2-a]pyridin-1(7H)-yl)ethyl]imino]-		0.4353
2_4-Hexadienedioic acid		0.2943
2_6_10_14-Tetramethyl-7-(3-methylpent-4-enylidene) pentadecane	0.7039	
2-Amino-4-nitrophenol	0.6552	0.4366
2-Butenedioic acid	2.5567	3.3092
2-Cyclohexen-1-one_ 3-[3-(4_4-dimethyl-4_5-dihydro-1_3-oxazol-2-yl)phenyl]		1.4553
2^-Deoxyribolactone		1.0069
2-(Ethylamino)ethanol_ N-pentafluoropropionyl_ O-trimethylsilyl		1.4055
2-Furanglycolic acid	3.0224	5.6076
2-Hydroxy-3-methylbutyric acid	0.4132	
(2-Hydroxyethyl)trimethylsilyl methyl sulfide		0.4769
3_10-Dioxa-2_11-disiladodeca-5_7-diene_ 2_2_11_11-tetramethyl-		0.4649
3_5-Cyclocholestan-19-al_ 6-hydroxy-_ (6.beta.)-		1.4153
3_5-Dimethyl-2-phenylpyridine		1.1860
3-Hydroxy-3-phenylpropanoic acid		0.9058
3-Methylbenzyl alcohol		1.7887
3-Phenyllactic acid	1.3658	1.4679
4-Hexylphenol	1.8193	
4-Hydroxybenzoic acid	0.3358	0.1455
4-Hydroxybutanoic acid	0.3026	
4-Hydroxyphenyllactic acid	0.9302	1.4228
4-Phenyl-3-buten-2-ol		0.1518
5_14_23-Octadecatrien-14_15-diol	1.4181	
5_6-Epoxyretinoic acid		1.8058
5-Hydroxy-2-methylpyridine	0.8189	
5-Hydroxymethyl-2-furoic acid		0.6883
9-Octadecenoic acid	0.4473	0.8917
Acetamide	0.9232	
Acetic acid	2.8062	
Arachidonic acid	0.4275	1.0648
benzenamine_ 2_3_5_6-tetrafluoro-N_N-dimethyl-		1.8908
Benzonitrile_ 2-benzylthio-4-methoxy-	1.6721	2.3720
Bis(2-ethylhexyl) phthalate	5.8313	9.4822
Bis(pentamethylcyclopentadienyl)iron		3.6266
Bis(trimethylsilyl) 3_6_9_12-tetraoxatetradecane-1_14-dioate	2.5982	1.5865
Butanedioic acid	6.2011	6.6823
Carbitol	0.1844	
Cholest-4-en-26-al_ 3-oxo-_ cyclic 26-(ethylene acetal)	0.3088	0.3720
cis-4-Trimethylsilyloxy-cyclohexyl(trimethylsilyl)carboxylate	1.0798	3.0974
Citric acid	2.4850	
Cyclodocosane_ ethyl-		0.5696
Cyclohexene_ 3-butyl-3-methyl-1-trimethylsilyloxy-		0.6972
D-Arabino-Hexonic acid_ 3-deoxy-2_5_6-tris-O-(trimethylsilyl)-_ .gamma.-lactone	0.6249	0.4485
D-(+)-Arabitol	0.3812	
Dihydroxyacetone	1.4153	
Dodecane_ 1-(methoxymethoxy)-		0.2769
D-(+)-Ribono-1_4-lactone	0.5507	0.7383
Glyceric acid	1.5688	1.4406
Glycerol	0.1551	1.3409
Gulonic acid_ .gamma.-lactone	0.1513	0.8962
Heptacosane_ 1-chloro-		1.0062
Heptadecanoic acid	0.2167	
Hexacosane	0.9089	
Hexadeca-2_6_10_14-tetraen-1-ol_ 3_7_11_16-tetramethyl-		1.3311
Hydracrylic acid	1.3861	0.6538
Kojic acid		0.7209
Malic acid	2.8299	1.2667
Myristic acid		0.2689
Nonacosane	1.8403	
Octacosane	1.8773	
Palmitic Acid	1.7674	3.4313
Pentanedioic acid	0.4923	0.5274
Phenylephrine	0.3245	
Phenylethyl Alcohol	4.8358	
Propionic acid_ 3-iodo-_ heptadecyl ester		1.2140
Ribitol	0.2862	
Stearic acid	0.3520	0.7313
Tetrapentacontane_ 1_54-dibromo-	0.4162	
Triacontane	1.2337	
Tricosane		0.1912
Trimethylsilyl O-(trimethylsilyl)isohomovanillate		1.1204
Tyrosol	3.1125	3.5699
Vanillic Acid	0.6273	0.5630
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	pubchem_id	inchi_key	kegg_id	other_id	other_id_type	ri	ri_type	moverz_quant	
1,2,3,4-Butanetetrol, 1-[2-(2-fluorophenyl)-2H-1,2,3-triazol-4-yl]-, [1R-(1R*,2S*,3R*)]-									
(+)-1,2,3,4-Tetrahydroisoquinoline, 1-benzyl-6,7-dimethoxy-									
13-Octadecenoic acid									
1,4,6-Trimethyl-1,2,3,3a,4,7,8,8a-octahydro-4,7-ethanoazulene									
1-[4-(Acridin-9-ylamino)-phenyl]-ethanone									
1-Ethoxy-2-propanol									
1H-1,2,3-Triazolo[4,5-c]quinoline-1-hexanoic acid									
1-Octadecene									
1-Phenyl-2-(2-trimethylsilylcyclopropen-1-yl)ethanol									
[2-(2-Ethoxyethoxy)ethoxy]acetic acid									
2,4-Heptanedione, 6-[[2-(2,3,8,8a-tetrahydro-5,8a-dimethyl-7-oxoimidazo[1,2-a]pyridin-1(7H)-yl)ethyl]imino]-									
2,4-Hexadienedioic acid									
2,6,10,14-Tetramethyl-7-(3-methylpent-4-enylidene) pentadecane									
2-Amino-4-nitrophenol									
2-Butenedioic acid									
2-Cyclohexen-1-one, 3-[3-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]									
2'-Deoxyribolactone									
2-(Ethylamino)ethanol, N-pentafluoropropionyl, O-trimethylsilyl									
2-Furanglycolic acid									
2-Hydroxy-3-methylbutyric acid									
(2-Hydroxyethyl)trimethylsilyl methyl sulfide									
3,10-Dioxa-2,11-disiladodeca-5,7-diene, 2,2,11,11-tetramethyl-									
3,5-Cyclocholestan-19-al, 6-hydroxy-, (6.beta.)-									
3,5-Dimethyl-2-phenylpyridine									
3-Hydroxy-3-phenylpropanoic acid									
3-Methylbenzyl alcohol									
3-Phenyllactic acid									
4-Hexylphenol									
4-Hydroxybenzoic acid									
4-Hydroxybutanoic acid									
4-Hydroxyphenyllactic acid									
4-Phenyl-3-buten-2-ol									
5,14,23-Octadecatrien-14,15-diol									
5,6-Epoxyretinoic acid									
5-Hydroxy-2-methylpyridine									
5-Hydroxymethyl-2-furoic acid									
9-Octadecenoic acid									
Acetamide									
Acetic acid									
Arachidonic acid									
benzenamine, 2,3,5,6-tetrafluoro-N,N-dimethyl-									
Benzonitrile, 2-benzylthio-4-methoxy-									
Bis(2-ethylhexyl) phthalate									
Bis(pentamethylcyclopentadienyl)iron									
Bis(trimethylsilyl) 3,6,9,12-tetraoxatetradecane-1,14-dioate									
Butanedioic acid									
Carbitol									
Cholest-4-en-26-al, 3-oxo-, cyclic 26-(ethylene acetal)									
cis-4-Trimethylsilyloxy-cyclohexyl(trimethylsilyl)carboxylate									
Citric acid									
Cyclodocosane, ethyl-									
Cyclohexene, 3-butyl-3-methyl-1-trimethylsilyloxy-									
D-Arabino-Hexonic acid, 3-deoxy-2,5,6-tris-O-(trimethylsilyl)-, .gamma.-lactone									
D-(+)-Arabitol									
Dihydroxyacetone									
Dodecane, 1-(methoxymethoxy)-									
D-(+)-Ribono-1,4-lactone									
Glyceric acid									
Glycerol									
Gulonic acid, .gamma.-lactone									
Heptacosane, 1-chloro-									
Heptadecanoic acid									
Hexacosane									
Hexadeca-2,6,10,14-tetraen-1-ol, 3,7,11,16-tetramethyl-									
Hydracrylic acid									
Kojic acid									
Malic acid									
Myristic acid									
Nonacosane									
Octacosane									
Palmitic Acid									
Pentanedioic acid									
Phenylephrine									
Phenylethyl Alcohol									
Propionic acid, 3-iodo-, heptadecyl ester									
Ribitol									
Stearic acid									
Tetrapentacontane, 1,54-dibromo-									
Triacontane									
Tricosane									
Trimethylsilyl O-(trimethylsilyl)isohomovanillate									
Tyrosol									
Vanillic Acid									
METABOLITES_END
#END