I-Metabolomics
Iimbonakalo
●Akukho-IiMetabolomics ezijoliswe kuzo (iDiscovery Metabolomics)
Ngokusekelwe kwitekhnoloji ye-liquid chromatography-mass spectrometry (LC-MS), i-non-target metabolomics ivumela ukufunyanwa okungakhethiyo kwee-metabolites ezininzi zeemolekyuli ezincinci kangangoko kunokwenzeka kwiisampulu zebhayoloji ezifana neeseli, izicubu, amalungu omzimba, okanye ulwelo lomzimba. Yenza uhlalutyo oluthelekisayo phakathi kwamaqela ovavanyo kunye namaqela olawulo, ihlola ii-metabolites ezahlukeneyo ngohlalutyo lwezibalo.
● IiMetabolomics ezingajoliswanga kwiLipids
Ukusebenzisa iteknoloji ye-liquid chromatography-mass spectrometry (LC-MS),nI-Metabolomics yeLipids ejoliswe kuyo ifikelela ekufumaneni ngaphandle kokukhetha iimolekyuli ezininzi ze-lipid kangangoko kunokwenzeka kwiisampulu zebhayoloji kuquka iiseli, izicubu, amalungu omzimba, okanye ulwelo lomzimba.
● Ububanzi-IiMetabolomics ezijoliswe kuzo
Le nkonzo idibanisa ngokugqibeleleyo iingenelo zetekhnoloji egqibeleleyo kunye neyokugubungela ngokubanzi kunye nobuchule obuphezulu kunye nobuchule bokulinganisa obuchanekileyo betekhnoloji ye-MRM (Multiple Reaction Monitoring). Umsebenzi umi ngolu hlobo lulandelayo: Okokuqala, i-high-resolution mass spectrometry isetyenziselwa ukwenza ukuskena kwe-MS² egubungela kakhulu kwiisampuli ukuze kufunyanwe i-MS² spectra yazo zonke ii-metabolites. Emva koko, ukuchongwa kwe-metabolite ngokuchanekileyo kwenziwa ngokudityaniswa nelayibrari ye-MS² eneenkcukacha eziphezulu (egubungela ngaphezulu kwe-25,000 metabolites, kunye ne-multiple standard high-resolution MS² spectra kwi-metabolite nganye). Okulandelayo, ulwazi lwe-MRM ion pair lukhutshwa kwi-mass spectra ukuze kusekwe ilayibrari ethile yeesampuli. Okokugqibela, i-triple quadrupole mass spectrometry enetekhnoloji ye-MRM isetyenziswa ukuze kulinganiswe ngokuchanekileyo.
● I-Metabolomics ejoliswe kuyo
I-metabolomics ekujoliswe kuyo igxila kwiikhompawundi ezininzi ekujoliswe kuzo okanye kuzo zonke/ii-metabolites ezingaphelelanga ezibandakanyeka kwindlela ethile. Isebenzisa izinto ezisemgangathweni, iseka indlela yokufumanisa eneenkcukacha eziqinileyo, uvakalelo oluphezulu, kunye nokuphindaphinda okuhle kokulinganisa kunye nohlalutyo lweekhompawundi ekujoliswe kuzo. Yamkela umgangatho wangaphandle odityaniswe nomgangatho wangaphakathi wokulinganisa ngokupheleleyo, kunye nomgca we-curve esemgangathweni ofikelela ngaphezulu kwe-0.99 kunye novakalelo olufikelela kwinqanaba le-ng/mL.
Iingenelo
●Iqonga Lokufumanisa Eliphambili
-Ixhotyiswe ngee-spectrometers zobunzima obuphezulu kunye nee-spectrometers zobunzima obuthathu obune-quadrupole, ezivumela ukufunyanwa kunye nohlalutyo lwamawaka ee-metabolites ngaxeshanye.
●Iidathabheyisi ezipheleleyo
- Iidathabheyisi zikawonkewonke: Zigubungela i-METLIN, i-KEGG, i-HMDB, i-NP Atlas, kunye ne-Lipidmaps, eziquka ii-metabolites ezingaphezu kwama-500,000.
- Ngaphakathi endlwiniIsiseko sedatha esikhethekileyo kwizityalo: Siqulethe ii-metabolites ezingaphezu kwama-25,000, kuquka ii-metabolites eziphambili nezesibini.
- Ngaphakathi endlwiniIdathabheyisi ethile yezilwanyana/yezonyango: Ibandakanya iimetabolites ezingaphezu kwe-12,000.
●Inkqubo yoLawulo loMgangatho oQondileyo
-Ulawulo oluqinileyo lomgangatho olugubungela uzinzo lwezixhobo, intsalela yezinto, i-QC sampulu ye-PCA kunye nohlalutyo lokuhambelana ukuqinisekisa umgangatho wedatha othembekileyo.
●Ubungakanani bokuchongwa kweMetabolite ephezulu
- Akukho-IiMetabolomics ezijoliswe kuzo: Ifumanisa umyinge weemetabolites ezingaphezu kwama-4,200 ngokubaleka ngakunye, ilungele ukuhlola iimetabolites ezingaziwayo kwiisampuli kunye nokuchonga iimetabolites kwiisampuli ezintsonkothileyo.
- Ububanzi-IiMetabolomics eziJongiweyo (Isityalo): Ifumanisa umyinge weemetabolites ezingaphezu kwama-2,410 ngokuqhutywa ngakunye, kuquka iimetabolites eziphambili nezesibini.
- Ububanzi-IiMetabolomics ezijoliswe kuzo (Isilwanyana): Ifumanisa umyinge weemetabolites ezingaphezu kwe-1,250 ngokuqhutywa ngakunye.
- IiMetabolomics ezijoliswe kuzo: Iiphanelingenxaiindidi ezininzi ze-metabolites.
●Uhlalutyo olupheleleyo
-Ibonelela ngezinto zohlalutyo ezingaphezu kwe-10 kunye neetshathi zokubonisa ezingaphezulu kwama-20.
●Inkonzo Ecokisekileyo Emva Kokuthengisa
-Ibonelela ngengcebiso emva kokuthengisa kunye nenkxaso yokutolikwa kwengxelo yokugqibela.
Iinkcukacha zeNkonzo
| Isisombululo | Iqonga | Iikopi zebhayoloji ezicetyiswayo |
|---|---|---|
| I-Metabolomics Engajoliswanga | I-UHPLC-TOF-MS (Waters Xevo G2-XS QTof) | Isampuli yezityalo kunye neentsholongwane: ≥ 6 Isampuli yesilwanyana: ≥ 10 Isampuli yeklinikhi: ≥ 30 Zonke iisampuli eziphindaphindwayo zebhayoloji zihlalutywe ngokuzimeleyo. |
| I-Metabolomics Ejolise Kubanzi | Amanzi Xevo G2-XS QTOF + AB Sciex QTRAP 6500+ | Isampuli yesityalo: ≥ 3 |
| IiMetabolomics ezijoliswe kuzo | I-UHPLC-QQQ-MS (AB Sciex QTRAP 6500+) I-GC-MS (Agilent 7890-5977, Agilent 7820-5977) | Isampuli yesityalo: ≥ 3 Isampuli yesilwanyana: ≥ 6 |
Iimfuno zeSampuli
Ngaba uyazibuza ukuba ingaba iisampulu zakho ziyahlangabezana na neekhrayitheriya zethu? Cofa apha ukuze ufumane ezethuiimfuno zamva nje zesampulu.
Ukuhamba komsebenzi wenkonzo
Ingqokelela yeeSampuli
Ukukhupha iMetabolite
Ukufunyanwa kwedatha
Uhlalutyo lweDatha
Ukuhanjiswa Kwedatha
1. Ingxolo yangasemva kunye nokusetyenzwa kwedatha engavuthwanga kakuhle
2. Uvavanyo loMgangatho weDatha
2.1 Uhlalutyo lwecandelo eliphambili
2.2 Uvavanyo lokuzala kwakhona
3. Isaziso seMetabolite
3.1 Isichazi sedatha ye-KEGG
3.2 Inkcazo yedathabheyisi ye-HMDB
3.3 Ingcaciso yesiseko sedatha seLipidmaps
4. Uhlalutyo lweDatha yoQokelelo lweeSampulu (iikopi zebhayoloji≥3)
4.1 Uhlalutyo lwecandelo eliphambili leqela
4.2 Uhlalutyo lwe-Orthogonal partial least squares discriminant (OPLS-DA)
4.3 Uhlalutyo lwe-metabolite yokwahluka kweqela
5. Ukhetho lweMetabolite eyahlukileyo (iikopi zebhayoloji≥3)
5.1 Uhlalutyo lotshintsho lokugoba oluhlukeneyo
5.2 Iploti yentaba-mlilo eyahlukileyo ye-metabolite
5.3 Imephu yobushushu yokwahlulahlula i-metabolite clustering
5.4 Isicwangciso sokudibanisa umahluko we-metabolite
5.5 Iploti ye-Z-score ye-metabolite eyahlukileyo
5.6 Uhlalutyo lwesicwangciso se-radar se-metabolite eyahlukileyo
5.7 Iploti ye-violin ye-metabolite eyahlukileyo
5.8 Iploti yebhokisi ye-metabolite eyahlukileyo
5.9 Uhlalutyo olusebenzayo lwe-KEGG ye-metabolite eyahlukileyo kunye nohlalutyo lokutyebisa
5.10 Uhlalutyo lwe-ROC curve
5.11 Ukwahlulwa kwe-metabolite k-means clustering
5.12 Umzobo weVenn we-metabolite eyahlukileyo
1. Uvavanyo loMgangatho weDatha
↑Cuhlalutyo lolwalamano(Isampuli yovavanyo/isampulu ye-QC)
↑Uhlalutyo lwecandelo eliphambili ↑Uhlalutyo lokuqokelelana kwe-Metabolite
2. Isaziso seMetabolite
↑Inkcazo yesiseko sedatha se-KEGG↑Inkcazo yedathabheyisi yeHMDB
↑Inkcazelo yesiseko sedatha seLipidmaps
3. Uhlalutyo lweDatha yoQokelelo lweeSampulu (iikopi zebhayoloji≥3)
↑Uhlalutyo lwecandelo eliphambili leqela(2D/3D)
↑Uhlalutyo lwe-Orthogonal partial least squares discriminant (OPLS-DA)
4. Ukhetho lweMetabolite eyahlukileyo (iikopi zebhayoloji≥3)
↑Uhlalutyo lotshintsho lokugoba oluhlukeneyo↑Isakhiwo sentaba-mlilo esahlukileyo
↑Imephu yobushushu yokudibanisa i-metabolite eyahlukileyo↑Isicwangciso sokudibanisa umahluko phakathi kwe-metabolite
↑Iploti ye-Z-score ye-metabolite eyahlukileyo↑Uhlalutyo lwesicwangciso se-radar se-metabolite eyahlukileyo
↑Isicwangciso se-violin ye-metabolite eyahlukileyo↑Ibhokisi ye-metabolite eyahlukileyo
↑Uhlalutyo olusebenzayo lwe-metabolite ye-KEGG kunye nophuhliso
↑Uhlalutyo lwegophe le-ROC↑Ukwahlulwa kwe-metabolite k-means
↑Umzobo owahlukileyo we-metabolite Venn
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