I-Metabolomics
Izici
●Okungewona-I-Metabolomics eqondiwe (i-Discovery Metabolomics)
Ngokusekelwe kubuchwepheshe be-liquid chromatography-mass spectrometry (LC-MS), i-non-target metabolomics ivumela ukutholakala okungachemile kwama-metabolite amaningi amancane ngangokunokwenzeka kumasampula ebhayoloji afana namaseli, izicubu, izitho zomzimba, noma uketshezi lomzimba. Yenza ukuhlaziywa okuqhathanisayo phakathi kwamaqembu okuhlola nawokulawula, ihlola ama-metabolite ahlukene ngokuhlaziywa kwezibalo.
● I-Metabolomics Engahlosiwe Yama-Lipid
Ukusebenzisa ubuchwepheshe be-liquid chromatography-mass spectrometry (LC-MS),nI-Metabolomics ye-Lipids eqondiswe ngqo ifinyelela ekutholakaleni okungachemile kwama-molecule amaningi e-lipid ngangokunokwenzeka kumasampula ebhayoloji okuhlanganisa amaseli, izicubu, izitho zomzimba, noma uketshezi lomzimba.
● Ububanzi-I-Metabolomics Eqondiwe
Le nsizakalo ihlanganisa kahle izinzuzo zobuchwepheshe obungaqondiwe kanye nokumbozwa okubanzi kanye nekhono lokulinganisa elinembile lobuchwepheshe be-MRM (Multiple Reaction Monitoring). Ukuhamba komsebenzi kungokulandelayo: Okokuqala, i-high-resolution mass spectrometry isetshenziselwa ukwenza ukuskena kwe-MS² okumbozwa kakhulu kumasampula ukuthola ama-MS² spectra "awo wonke" ama-metabolite. Ngemuva kwalokho, ukuhlonza i-metabolite okunembile kwenziwa ngokuhlanganisa nomtapo wezincwadi we-MS² oneresolution ephezulu (omboza ama-metabolite angaphezu kuka-25,000, nama-multiple standard high-resolution MS² spectra we-metabolite ngayinye). Okulandelayo, ulwazi lwe-MRM ion pair lukhishwa kuma-mass spectra ukuze kusungulwe umtapo wezincwadi othize wamasampula. Ekugcineni, i-triple quadrupole mass spectrometry enobuchwepheshe be-MRM isetshenziswa ukuze kuhlolwe okunembile.
● I-Metabolomics Eqondiwe
I-metabolomics eqondiwe igxila kumakhemikhali amaningana aqondiwe noma wonke/ama-metabolite angaphelele ahilelekile endleleni ethile. Isebenzisa izinto ezijwayelekile, isungula indlela yokuthola enokucaciswa okunamandla, ukuzwela okuphezulu, kanye nokuphindaphindwa okuhle kokulinganisa nokuhlaziya amakhemikhali aqondiwe. Isebenzisa indinganiso yangaphandle ehlanganiswe nendinganiso yangaphakathi yokulinganisa okuphelele, ngokulingana kwejika elijwayelekile kufinyelela ngaphezu kuka-0.99 kanye nokuzwela kufika ezingeni le-ng/mL.
Izinzuzo
●Ipulatifomu Yokuthola Okuthuthukisiwe
-Ihlonyiswe ngama-spectrometer esisindo aphezulu anesinqumo esiphezulu kanye nama-spectrometer esisindo esine-quadrupole, okuvumela ukutholwa kanye nokuhlaziywa kwezinkulungwane zama-metabolites ngasikhathi sinye.
●Izizindalwazi Eziphelele
- Izizindalwazi Zomphakathi: Mboza i-METLIN, i-KEGG, i-HMDB, i-NP Atlas, kanye ne-Lipidmaps, ehlanganisa ama-metabolite angaphezu kuka-500,000.
- NgaphakathiIsizindalwazi Esiqondene Nezitshalo: Siqukethe ama-metabolite angaphezu kuka-25,000, okuhlanganisa ama-metabolite ayinhloko nawesibili.
- NgaphakathiIsizindalwazi esiqondene nezilwane/nezokwelapha: Sihlanganisa ama-metabolite angaphezu kuka-12,000.
●Uhlelo Lokulawula Ikhwalithi Oluqinile
-Ukulawulwa kwekhwalithi okuqinile okuhlanganisa ukuzinza kwethuluzi, izinsalela zento, isampula ye-QC PCA kanye nokuhlaziywa kokuhlobana ukuqinisekisa ikhwalithi yedatha ethembekile.
●Amandla Okuthola I-Metabolite Ephakeme
- Okungewona-I-Metabolomics eqondiwe: Ithola isilinganiso sama-metabolites angaphezu kuka-4,200 ngokugijima ngakunye, okulungele ukuhlola ama-metabolites angaziwa kumasampula kanye nokuhlonza ama-metabolites kumasampula ayinkimbinkimbi.
- Ububanzi-I-Metabolomics Eqondiwe (Isitshalo): Ithola isilinganiso sama-metabolites angaphezu kuka-2,410 ngokugijima ngakunye, kufaka phakathi ama-metabolites ayisisekelo nawesibili.
- Ububanzi-I-Metabolomics Eqondiwe (Isilwane): Ithola isilinganiso sama-metabolites angaphezu kuka-1,250 ngokugijima ngakunye.
- I-Metabolomics Eqondiwe: Amaphanelingobaizigaba eziningi ze-metabolite.
●Ukuhlaziywa Okuphelele
-Inikeza izinto zokuhlaziya ezingaphezu kwe-10 kanye namashadi okubuka angaphezu kwama-20.
●Isevisi Yokuthengisa Ngemva Kokuthengisa Ecabangelayo
-Inikeza ukubonisana ngemva kokuthengisa kanye nokusekelwa kokuchazwa kombiko wokugcina.
Imininingwane Yesevisi
| Isixazululo | Ipulatifomu | Okunconyiwe kwe-Biological Replicates |
|---|---|---|
| I-Metabolomics Engahlosiwe | I-UHPLC-TOF-MS (Waters Xevo G2-XS QTof) | Isampula yezitshalo neyamagciwane: ≥ 6 Isampula yesilwane: ≥ 10 Isampula yezokwelapha: ≥ 30 Zonke izibonelo eziphindaphindwayo zezinto eziphilayo zihlaziywe ngokuzimela. |
| I-Metabolomics Eqondiswe Kabanzi | I-Water Xevo G2-XS QTOF + AB Sciex QTRAP 6500+ | Isampula yesitshalo: ≥ 3 |
| I-Metabolomics Eqondiwe | I-UHPLC-QQQ-MS (AB Sciex QTRAP 6500+) I-GC-MS (i-Agilent 7890-5977, i-Agilent 7820-5977) | Isampula yesitshalo: ≥ 3 Isampula yesilwane: ≥ 6 |
Izidingo Zesampula
Uyazibuza ukuthi amasampula akho ayahlangabezana yini nezindinganiso zethu? Chofoza lapha ukuze uthole ezethuizidingo zakamuva zesampula.
Ukugeleza Komsebenzi Wesevisi
Iqoqo Lesampula
Ukukhishwa kweMetabolite
Ukutholwa Kwedatha
Ukuhlaziywa Kwedatha
Ukulethwa Kwedatha
1. Umsindo wangemuva kanye nokucutshungulwa kwedatha engahluziwe kwekhwalithi ephansi
2. Ukuhlolwa Kwekhwalithi Yedatha
2.1 Ukuhlaziywa kwezingxenye eziyinhloko
2.2 Ukuhlolwa kokuzala kabusha
3. Isichasiselo seMetabolite
3.1 Isichasiselo sedathabheyisi ye-KEGG
3.2 Isichasiselo sedathabheyisi ye-HMDB
3.3 Isichasiselo sedathabheyisi ye-Lipidmaps
4. Ukuhlaziywa Kwedatha Yokuqoqa Isampula (okuphindaphindwayo kwezinto eziphilayo)≥3)
4.1 Ukuhlaziywa kwezingxenye eziyinhloko zeqembu
4.2 Ukuhlaziywa kwe-Orthogonal partial least squares discriminant analysis (OPLS-DA)
4.3 Ukuhlaziywa kwe-metabolite yokwehluka kweqembu
5. Ukukhethwa Kwe-Metabolite Ehlukile (okuphindaphindwayo kwezinto eziphilayo≥3)
5.1 Ukuhlaziywa kokushintsha kokugoqa okuhlukile
5.2 Isakhiwo sentaba-mlilo esahlukile
5.3 Imephu yokushisa yokuhlukanisa ama-metabolite ahlukene
5.4 Isakhiwo sokuhlobana kwe-metabolite okuhlukile
5.5 Isakhiwo se-Z-score se-metabolite ehlukile
5.6 Ukuhlaziywa kwesakhiwo se-radar se-metabolite ehlukile
5.7 Isakhiwo se-violin ye-metabolite ehlukile
5.8 Ibhokisi le-metabolite elihlukile
5.9 Isichasiselo sokusebenza kwe-KEGG se-metabolite ehlukile kanye nokuhlaziywa kokunotha
5.10 Ukuhlaziywa kwejika le-ROC
5.11 Ukwehlukaniswa kwe-metabolite k-means
5.12 Umdwebo we-Venn we-metabolite ohlukile
1. Ukuhlolwa Kwekhwalithi Yedatha
↑Cukuhlaziywa kobudlelwano(Isampula yokuhlola/isampula ye-QC)
↑Ukuhlaziywa kwezingxenye eziyinhloko ↑Ukuhlaziywa kwe-Metabolite clustering
2. Isichasiselo seMetabolite
↑Isichasiselo sesizindalwazi se-KEGG↑Isichasiselo sedathabheyisi ye-HMDB
↑Isichasiselo sedathabheyisi ye-Lipidmaps
3. Ukuhlaziywa Kwedatha Yokuqoqa Isampula (okuphindaphindwayo kwezinto eziphilayo)≥3)
↑Ukuhlaziywa kwengxenye eyinhloko yeqembu(2D/3D)
↑Ukuhlaziywa kwe-Orthogonal partial least squares discriminant (OPLS-DA)
4. Ukukhethwa Kwe-Metabolite Ehlukile (okuphindaphindwayo kwezinto eziphilayo≥3)
↑Ukuhlaziywa kokushintsha kokugoqa okuhlukile↑Isakhiwo sentaba-mlilo esihlukile
↑Imephu yokushisa yokuhlanganisa ama-metabolite ahlukahlukene↑Isakhiwo sokuhlobana kwe-metabolite okuhlukile
↑Isakhiwo se-metabolite ehlukene i-Z-score↑Ukuhlaziywa kwesakhiwo se-radar se-metabolite ehlukene
↑Isakhiwo se-violin se-metabolite ehlukile↑Ibhokisi le-metabolite elihlukile
↑Ukuhlaziywa kokusebenza kwe-metabolite ehlukene ye-KEGG kanye nokucebisa
↑Ukuhlaziywa kwejika le-ROC↑Ukwehlukaniswa kwe-metabolite k-means
↑Umdwebo we-metabolite Venn ohlukile
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