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Intshisekelo ekuhlaziyweni kwe-volatile organic compounds (VOCs) emoyeni okhishwa umoya ikhule kule minyaka engamashumi amabili edlule.Ukungaqiniseki kusekhona mayelana nokujwayelekile kwesampula kanye nokuthi izinhlanganisela eziphilayo ezishintshashintshayo zomoya wasendlini ziyawuthinta yini ijika lezinto eziphilayo ezikhishwayo.Hlola izakhi eziphilayo eziguquguqukayo komoya wasendlini ezindaweni ezijwayelekile zokusampula umoya endaweni yesibhedlela bese unquma ukuthi lokhu kuyakuthinta yini ukwakheka komoya.Umgomo wesibili bekuwukufunda ukuguquguquka kwansuku zonke kokuqukethwe kwezakhi eziphilayo eziguquguqukayo emoyeni ongaphakathi.Umoya wasendlini waqoqwa ezindaweni ezinhlanu ekuseni nantambama kusetshenziswa iphampu yesampula kanye neshubhu le-thermal desorption (TD).Qoqa amasampula okuphefumula ekuseni kuphela.Amashubhu e-TD ahlaziywa nge-gas chromatography ehambisana ne-time-of-flight mass spectrometry (GC-TOF-MS).Ingqikithi yama-VOC ayi-113 akhonjwe kumasampula aqoqiwe.Ukuhlaziywa kwe-multivariate kubonise ukuhlukana okucacile phakathi kokuphefumula nomoya wegumbi.Ukwakheka komoya wasendlini kushintsha usuku lonke, futhi izindawo ezahlukene zinama-VOC athile angathinti iphrofayela yokuphefumula.Ukuphefumula akuzange kubonise ukuhlukana ngokusekelwe endaweni, okuphakamisa ukuthi ukusampula kungenziwa ezindaweni ezahlukene ngaphandle kokuthinta imiphumela.
I-Volatile organic compounds (VOCs) yizinhlanganisela ezisekelwe kukhabhoni ezinegesi ezingeni lokushisa lasekamelweni futhi ziyimikhiqizo yokugcina yezinqubo eziningi ezingapheli nezingajwayelekile1.Sekungamashumi eminyaka, abacwaningi benentshisekelo kuma-VOC ngenxa yendima yabo engaba khona njengama-biomarker angavaleli wezifo zabantu.Kodwa-ke, ukungaqiniseki kusasele mayelana nokumiswa kokuqoqwa nokuhlaziywa kwamasampula okuphefumula.
Indawo ebalulekile yokulinganisa yokuhlaziya umoya umthelela ongaba khona wama-VOC angemuva emoyeni we-ambient wasendlini.Ucwaningo lwangaphambilini lubonise ukuthi amazinga angemuva ama-VOC emoyeni ozungezile athinta amazinga ama-VOC atholakala ku-air3 ekhishwe umoya.Boshier et al.Ngo-2010, i-ion flow mass spectrometry (SIFT-MS) ekhethiwe yasetshenziswa ukutadisha amazinga amakhompawundi ayisikhombisa aguquguqukayo ezinto eziphilayo ezindaweni ezintathu zomtholampilo.Amazinga ahlukene ezinto eziphilayo eziguquguqukayo endaweni ezungezile akhonjwe ezifundeni ezintathu, ezibuye zanikeza isiqondiso emandleni ezinto eziphilayo ezisatshalaliswa eziguquguqukayo ezisemoyeni wasendlini ukuze zisetshenziswe njengezimpawu zesifo.Ngo-2013, uTrefz et al.Umoya osegunjini lokuhlinzela kanye nezindlela zokuphefumula zezisebenzi zasesibhedlela nazo zazibhekwa phakathi nosuku lokusebenza.Bathole ukuthi amazinga amakhompiyutha angaphandle afana ne-sevoflurane kuwo womabili umoya wegumbi nomoya okhishwe umoya akhuphuke ngo-5 ekupheleni kosuku lokusebenza, ephakamisa imibuzo mayelana nokuthi iziguli kufanele zithathwe nini futhi kuphi ukuze zihlaziywe umoya ukuze kuncishiswe inkinga yokudideka okunjalo. izici.Lokhu kuhambisana nocwaningo lukaCastellanos et al.Ngo-2016, bathola i-sevoflurane emoyeni wabasebenzi basesibhedlela, kodwa hhayi ekuphefumuleni kwabasebenzi ngaphandle kwesibhedlela.Ngo-2018 uMarkar et al.bafuna ukukhombisa umthelela wezinguquko ekubunjweni komoya wasendlini ekuhlaziyeni umoya njengengxenye yocwaningo lwabo lokuhlola ikhono lokuxilonga lomoya okhishwe umoya kumdlavuza womminzo7.Besebenzisa i-counterlung yensimbi kanye ne-SIFT-MS phakathi nesampula, bahlonze izinhlanganisela zezinto eziphilayo eziyisishiyagalombili ezishintshashintshayo emoyeni wasendlini ezihluka kakhulu ngendawo yokusampula.Kodwa-ke, lawa ma-VOC awazange afakwe kumodeli yawo yokugcina ye-VOC yokuxilonga, ngakho-ke umthelela wawo awuzange ubonwe.Ngo-2021, ucwaningo lwenziwa nguSalman et al.ukuqapha amazinga e-VOC ezibhedlela ezintathu izinyanga ezingama-27.Bahlonze ama-VOC angu-17 njengababandlululi besizini futhi baphakamisa ukuthi ukugxilisa kwe-VOC okukhishwe umoya ngaphezu kwezinga elibalulekile elingu-3 µg/m3 kubhekwa njengento engenakwenzeka ngemva kokungcoliswa kwe-VOC8.
Ngaphezu kokusetha amaleveli omkhawulo noma okungabandakanyi izinhlanganisela zangaphandle, ezinye izindlela zokususa lokhu kuhlukahluka kwangemuva kufaka phakathi ukuqoqa amasampula omoya wegumbi elibhanqiwe kanye namasampula omoya akhishwe umoya ukuze noma yimaphi amaleveli ama-VOC akhona ekugxilweni okuphezulu egumbini eliphefumulayo akwazi ukunqunywa.ekhishwe emoyeni okhishiwe.I-Air 9 ikhishwa kuleveli ukuze inikeze “i-alveolar gradient”.Ngakho-ke, i-gradient enhle ikhombisa ukuba khona kwe-endogenous Compound 10. Enye indlela ukuthi ababambiqhaza bahogele umoya "ohlanzekile" ongenakho ukungcola kwe-VOC11.Kodwa-ke, lokhu kunzima, kudla isikhathi, futhi imishini ngokwayo ikhiqiza ukungcola okwengeziwe kwe-VOC.Ucwaningo luka-Maurer et al.Ngo-2014, ababambiqhaza abaphefumula umoya wokwenziwa banciphisa ama-VOC angama-39 kodwa bakhuphuka ama-VOC angama-29 uma kuqhathaniswa nokuphefumula umoya ongaphakathi endlini12.Ukusetshenziswa komoya wokwenziwa/ohlanziwe nakho kukhawulela kakhulu ukuphatheka kwemishini yesampula yokuphefumula.
Amazinga e-Ambient VOC nawo kulindeleke ukuthi ahluke usuku lonke, okungase kuthinte nakakhulu ukumisa nokunemba kwesampula yokuphefumula.
Ukuthuthuka kwe-mass spectrometry, okuhlanganisa ukuchithwa kwe-thermal okuhambisana ne-gas chromatography kanye ne-time-of-flight mass spectrometry (GC-TOF-MS), futhi kunikeze indlela eqinile nethembekile yokuhlaziywa kwe-VOC, ekwazi ukuthola ngesikhathi esisodwa amakhulu ama-VOC, ngaleyo ndlela. ukuze uthole ukuhlaziya okujulile.umoya ekamelweni.Lokhu kwenza kube nokwenzeka ukuveza ngokuningiliziwe ukwakheka komoya okuzungezile ekamelweni nokuthi amasampula amakhulu ashintsha kanjani ngendawo nesikhathi.
Inhloso eyinhloko yalolu cwaningo bekuwukuthola amazinga ahlukahlukene ezinto eziphilayo eziguquguqukayo emoyeni wasendlini ezindaweni ezivamile zamasampula endaweni yesibhedlela nokuthi lokhu kuthinta kanjani amasampula omoya okhishwa umoya.Inhloso yesibili bekuwukunquma ukuthi ingabe kukhona ukuhluka okubalulekile kwe-diurnal noma indawo ekusabalaliseni kwama-VOC emoyeni ongaphakathi endlini.
Amasampula okuphefumula, kanye namasampula omoya angaphakathi endlini, aqoqwe ekuseni ezindaweni ezinhlanu ezahlukene futhi ahlaziywa nge-GC-TOF-MS.Isamba sama-VOC angu-113 atholwe futhi akhishwa ku-chromatogram.Izilinganiso eziphindaphindiwe zahlanganiswa nencazelo ngaphambi kokuhlaziywa kwengxenye eyinhloko (PCA) yezindawo eziphakeme ezikhishiwe nezijwayelekile zenziwe ukuze kuhlonzwe futhi kukhishwe izinto ezingaphandle. Ukuhlaziywa okugadiwe ngezikwele ezincane eziyingxenye—ukuhlaziya okubandlululayo (PLS-DA) kwase kukwazi ukukhombisa ukuhlukana okucacile phakathi kwamasampula omoya wokuphefumula negumbi (R2Y = 0.97, Q2Y = 0.96, p <0.001) (Fig. 1). Ukuhlaziywa okugadiwe ngezikwele ezincane eziyingxenye—ukuhlaziya okubandlululayo (PLS-DA) kwase kukwazi ukukhombisa ukuhlukana okucacile phakathi kwamasampula omoya wokuphefumula negumbi (R2Y = 0.97, Q2Y = 0.96, p <0.001) (Fig. 1). I-akhawunti yakho ye-akhawunti yakho ye-PLS-DA ibalulekile ekuxazululeni inkinga yezinkinga zezezimali. мнатного воздуха (R2Y = 0,97, Q2Y = 0,96, p <0,001) (рис. 1). Ukuhlaziya okulawulwayo nokuhlaziya okubandlululayo kwezikwele ezincane (PLS-DA) kwakwazi ukukhombisa ukuhlukana okucacile phakathi kwamasampula omoya wokuphefumula negumbi (R2Y=0.97, Q2Y=0.96, p<0.001) (Umfanekiso 1).通过偏最小二乘法进行监督分析——判别分析(PLS-DA) 然后能够显示呼吸和监督分析(R2Y = 0.97, Q2Y = 0.96,p <0.001) (图1).通过 偏 最 小 二乘法 进行 监督 分析 分析 判别 分析 分析 (PLS-DA) 惶徤 惶后内 空气 样本 的 明显 (((((((((（))（, , q2y = 0.96 , p <0.001） (1). ... ... ... ... ... ... ... ... ... ... ... ... ... ... ... ... ... ... ... ... ... ... ... ... ... ... ... ... .... Контролируемый анализ с помощью частичного дискриминантного анализа методом наименьших квадратов (PLS-DA) здуха в помещении (R2Y = 0,97, Q2Y = 0,96, p <0,001) (рис. 1). Ukuhlaziya okulawulwayo okunokuhlaziywa okubandlululayo kwezikwele ezincane (i-PLS-DA) bese kukwazi ukukhombisa ukuhlukana okucacile phakathi kwamasampuli okuphefumula nomoya wasendlini (R2Y = 0.97, Q2Y = 0.96, p <0.001) (Umfanekiso 1). Ukuhlukaniswa kweqembu kwakuqhutshwa ama-VOC angu-62 ahlukene, anesilinganiso sokubaluleka esishintshashintshayo (VIP) > 1. Uhlu oluphelele lwama-VOC olubonisa uhlobo lwesampula ngayinye kanye nezikolo zabo ze-VIP ezilandelanayo zingatholakala kokuthi Ithebula Lokwengeza 1. Ukuhlukaniswa kweqembu kwakuqhutshwa ama-VOC angu-62 ahlukene, anesilinganiso sokubaluleka esishintshashintshayo (VIP) > 1. Uhlu oluphelele lwama-VOC olubonisa uhlobo lwesampula ngayinye kanye nezikolo zabo ze-VIP ezilandelanayo zingatholakala kokuthi Ithebula Lokwengeza 1. Разделение на группы было обусловлено 62 различными VOC с оценкой проекции переменной важности (VIP) > 1. i-разца, kanye ne-andх соответствующие оценки VIP ingahle ifinyelele ku-дополнительной таблице 1. Ukuqoqa kuqhutshwa ama-VOC angu-62 ahlukene anesikolo se-Variable Importance Projection (VIP) > 1. Uhlu oluphelele lwama-VOC olubonisa uhlobo lwesampula ngayinye kanye nezikolo zawo ze-VIP ezihlukene zingatholakala kokuthi Ithebula Lokwengeza 1.组分离由62 种不同的VOC 驱动，变量重要性投影(VIP) 分数> 1.组分离由62 种不同的VOC 驱动，变量重要性投影(VIP) 分数> 1. Разделение групп было обусловлено 62 различными ЛОС с оценкой проекции переменной важности (VIP) > 1. Ukuhlukaniswa kweqembu kwakuqhutshwa ama-VOC angu-62 ahlukene anesilinganiso sokubaluleka esishintshashintshayo (VIP) > 1.Uhlu oluphelele lwama-VOC olubonisa uhlobo lwesampula ngayinye kanye nezikolo zabo ze-VIP ezihlukene zingatholakala kokuthi Ithebula Lokwengeza 1.
Ukuphefumula nomoya wasendlini kubonisa ukusatshalaliswa okuhlukene kwezinhlanganisela eziphilayo eziguquguqukayo. Ukuhlaziya okugadiwe ne-PLS-DA kubonise ukuhlukana okucacile phakathi kwamaphrofayili e-VOC yokuphefumula nomoya wegumbi aqoqwe ekuseni (R2Y = 0.97, Q2Y = 0.96, p <0.001). Ukuhlaziya okugadiwe ne-PLS-DA kubonise ukuhlukana okucacile phakathi kwamaphrofayili e-VOC yokuphefumula nomoya wegumbi aqoqwe ekuseni (R2Y = 0.97, Q2Y = 0.96, p <0.001). Контролируемый анализ с помощью I-PLS-DA yabika ukuthi ingakanani i-профилями летучих органических соединений выдыхаемоды выдыхаемоды выдыхаемод ными утром (R2Y = 0,97, Q2Y = 0,96, p <0,001). Ukuhlaziywa okulawulwayo kwe-PLS-DA kubonise ukuhlukana okucacile phakathi kwamaphrofayili ekhompiyutha ephilayo ekhishwa umoya nangaphakathi emoyeni aqoqwe ekuseni (R2Y=0.97, Q2Y=0.96, p<0.001).使用PLS-DA使用 PLS-DA Контролируемый анализ с использованием PLS-DA показал четкое разделение профилей ЛОС дыхания и воздуха в помещении, 6, 9, 20 = 9, 20 = 0,001). Ukuhlaziywa okulawulwayo kusetshenziswa i-PLS-DA kubonise ukuhlukaniswa okucacile kwamaphrofayela okuphefumula e-VOC nomoya wasendlini oqoqwe ekuseni (R2Y=0.97, Q2Y=0.96, p<0.001).Izilinganiso eziphindaphindiwe zehlisiwe zaba isilinganiso ngaphambi kokuba imodeli yakhiwe.Ama-Ellipses abonisa izikhathi zokuzethemba ezingu-95% kanye nama-centroid eqembu lenkanyezi.
Umehluko ekusatshalalisweni kwezinhlanganisela eziphilayo eziguquguqukayo emoyeni wasendlini ekuseni nantambama uphenywe kusetshenziswa i-PLS-DA. Imodeli ikhombe ukuhlukana okubalulekile phakathi kwamaphoyinti esikhathi amabili (R2Y = 0.46, Q2Y = 0.22, p <0.001) (Fig. 2). Imodeli ikhombe ukuhlukana okubalulekile phakathi kwamaphoyinti esikhathi amabili (R2Y = 0.46, Q2Y = 0.22, p <0.001) (Fig. 2). Модель выявила значительное разделение между двумя временными точками (R2Y = 0,46, Q2Y = 0,22, p <0,001) (рис. 2). Imodeli iveze ukuhlukana okubalulekile phakathi kwamaphoyinti esikhathi amabili (R2Y = 0.46, Q2Y = 0.22, p <0.001) (Umfanekiso 2).该模型确定了两个时间点之间的显着分离（R2Y = 0.46，Q2Y = 0.22,p <0.001）（图2）。该模型确定了两个时间点之间的显着分离（R2Y = 0.46，Q2Y = 0.22,p <0.001）（图2）。 Модель выявила значительное разделение между двумя временными точками (R2Y = 0,46, Q2Y = 0,22, p <0,001) (рис. 2). Imodeli iveze ukuhlukana okubalulekile phakathi kwamaphoyinti esikhathi amabili (R2Y = 0.46, Q2Y = 0.22, p <0.001) (Umfanekiso 2). Lokhu kuqhutshwa ama-VOC angu-47 anamaphuzu e-VIP > 1. Ama-VOC anamaphuzu aphezulu we-VIP abonisa amasampula asekuseni ahlanganisa ama-alkanes amaningi, i-oxalic acid ne-hexacosane, kuyilapho amasampula ntambama ethule ngaphezulu kwe-1-propanol, phenol, propanoic acid, 2-methyl- , 2-ethyl-3-hydroxyhexyl ester, isoprene kanye ne-nonanal. Lokhu kuqhutshwa ama-VOC angu-47 anamaphuzu e-VIP > 1. Ama-VOC anamaphuzu aphezulu we-VIP abonisa amasampula asekuseni ahlanganisa ama-alkanes amaningi, i-oxalic acid ne-hexacosane, kuyilapho amasampula ntambama ethule ngaphezulu kwe-1-propanol, phenol, propanoic acid, 2-methyl- , 2-ethyl-3-hydroxyhexyl ester, isoprene kanye ne-nonanal. Это было обусловлено наличием 47 летучих органических соединений с оценкой VIP > 1. ЛОС с самой высокой оценкой VIP, зюбокракрай, зюбокракрай лючали несколько разветвленных алканов, щавелевую кислоту и гексакозан, в то время как дневные образцы содержали бла-пеше кислоты, 2-метил- , 2-этил-3-гидроксигексиловый эфир, изопрен и нонаналь. Lokhu kube ngenxa yokuba khona kwezinhlanganisela eziphilayo eziguquguqukayo ezingu-47 ezinesikolo se-VIP > 1. Ama-VOC anamaphuzu aphezulu we-VIP amasampula ekuseni ahlanganisa ama-alkanes ambalwa, i-oxalic acid, ne-hexacosane, kuyilapho amasampula emini equkethe i-1-propanol, phenol eyengeziwe, propanoic acids, 2-methyl-, 2-ethyl-3-hydroxyhexyl ether, isoprene kanye nonanal.這是由47 种VIP 评分> 1 的VOC 驱动的.這是由47 种VIP 评分> 1 的VOC 驱动的. Этому способствуют 47 VOC с оценкой VIP > 1. Lokhu kwenziwa ama-VOC angama-47 anesikolo se-VIP > 1.Ama-VOC anesilinganiso esiphezulu se-VIP kusampula yasekuseni ahlanganisa ama-alkanes ahlukahlukene, i-oxalic acid, ne-hexadecane, kuyilapho isampula yantambama iqukethe i-1-propanol, phenol, propionic acid, 2-methyl-, 2-ethyl-3-hydroxyhexyl.i-ester, isoprene kanye ne-nonanal.Uhlu oluphelele lwenhlanganisela ye-organic organic (VOCs) ebonisa izinguquko zansuku zonke ekwakhekeni komoya wasendlini lungatholakala kokuthi Ithebula Lokwengeza 2.
Ukusatshalaliswa kwama-VOC emoyeni ongaphakathi kuyehluka usuku lonke. Ukuhlaziya okugadiwe ne-PLS-DA kubonise ukuhlukana phakathi kwamasampula omoya wegumbi aqoqwe ekuseni noma ntambama (R2Y = 0.46, Q2Y = 0.22, p <0.001). Ukuhlaziya okugadiwe ne-PLS-DA kubonise ukuhlukana phakathi kwamasampula omoya wegumbi aqoqwe ekuseni noma ntambama (R2Y = 0.46, Q2Y = 0.22, p <0.001). Контролируемый анализ с помощью PLS-DA показал разделение между пробами воздуха в помещении, собранными утром and днем (R2Y = 0,40 , Q2 = 0,40 , Q2 = 0,46, 20, 20). Ukuhlaziywa okulawulwayo nge-PLS-DA kubonise ukuhlukana phakathi kwamasampula omoya wasendlini aqoqwe ekuseni nantambama (R2Y = 0.46, Q2Y = 0.22, p <0.001).使用PLS-DA使用 PLS-DA Анализ эпиднадзора с использованием PLS-DA показал разделение проб воздуха внутри помещений, собранных утром или днем (R2Y = 20Y = 20 = 10, <br> Ukuhlaziywa kokuqapha kusetshenziswa i-PLS-DA kubonise ukuhlukaniswa kwamasampula omoya wasendlini aqoqwe ekuseni noma ntambama (R2Y = 0.46, Q2Y = 0.22, p <0.001).Ama-Ellipses abonisa izikhathi zokuzethemba ezingu-95% kanye nama-centroid eqembu lenkanyezi.
Amasampula aqoqwa ezindaweni ezinhlanu ezihlukene esibhedlela i-St Mary's eLondon: igumbi le-endoscopy, igumbi lokucwaninga emtholampilo, indawo yokuhlinza, umtholampilo weziguli ezingalaliswanga kanye nelabhorethri ye-mass spectrometry.Ithimba lethu labacwaningi livame ukusebenzisa lezi zindawo ukuqasha iziguli nokuqoqa umoya.Njengangaphambili, umoya wasendlini wawuqoqwa ekuseni nantambama, futhi amasampula omoya akhishwe ekuseni aqoqwe kuphela ekuseni. I-PCA iqokomise ukuhlukaniswa kwamasampula omoya wegumbi ngendawo ngokusebenzisa ukuhlaziywa kwe-permutational multivariate of variance (PERMANOVA, R2 = 0.16, p <0.001) (Fig. 3a). I-PCA iqokomise ukuhlukaniswa kwamasampula omoya wegumbi ngendawo ngokusebenzisa ukuhlaziywa kwe-permutational multivariate of variance (PERMANOVA, R2 = 0.16, p <0.001) (Fig. 3a). I-PCA выявил разделение проб комнатного воздуха по местоположению с помощью перестановочного многомерного дисперсионного анализа (PERMANOVA, R10, p., 30 = 0). I-PCA iveze ukuhlukaniswa kwamasampula omoya wegumbi ngendawo kusetshenziswa ukuhlaziywa kwe-permutational multivariate of variance (PERMANOVA, R2 = 0.16, p <0.001) (Fig. 3a). PCA 通过置换多变量方差分析（PERMANOVA，R2 = 0.16,p <0.001）强调了房间空气样的位置分）I-PCA I-PCA подчеркнул локальную сегрегацию проб комнатного воздуха с помощью перестановочного многомерного дисперсионного анализа (PERMANOVA, R10, p., 0 = 0). I-PCA iqokomise ukuhlukaniswa kwendawo kwamasampula omoya wegumbi usebenzisa ukuhlaziywa kwe-permutational multivariate of variance (PERMANOVA, R2 = 0.16, p <0.001) (Fig. 3a).Ngakho-ke, amamodeli abhanqiwe e-PLS-DA adalwe lapho indawo ngayinye iqhathaniswa nazo zonke ezinye izindawo ukuze kunqunywe amasignesha ezici. Wonke amamodeli ayebalulekile futhi ama-VOC anamaphuzu we-VIP> 1 akhishwe ngokulayisha ngokulandelana ukuze kuhlonzwe umnikelo weqembu. Wonke amamodeli ayebalulekile futhi ama-VOC anamaphuzu we-VIP> 1 akhishwe ngokulayisha ngokulandelana ukuze kuhlonzwe umnikelo weqembu. Все модели были значимыми, и ЛОС с оценкой VIP > 1 были извлечены с соответствующей нагрузкой для определения группового вклада. Wonke amamodeli abebalulekile, futhi ama-VOC anamaphuzu we-VIP > 1 akhishwe ngokulayisha okufanele ukuze kunqunywe umnikelo weqembu.所有模型均显着，VIP 评分> 1 的VOC 被提取并分别加载以识别组贡献。所有模型均显着，VIP 评分> 1 的VOC Все модели были значимыми, ne-VOC с баллами VIP> 1 были извлечены и загружены отдельно для определения групповых вкладов. Wonke amamodeli abebalulekile futhi ama-VOC anamaphuzu we-VIP > 1 akhishiwe futhi alayishwa ngokuhlukana ukuze kunqunywe iminikelo yeqembu.Imiphumela yethu ibonisa ukuthi ukwakheka komoya okuzungezile kuyahlukahluka ngendawo, futhi sihlonze izici eziqondene nendawo ethile sisebenzisa ukuvumelana kwemodeli.Iyunithi ye-endoscopy ibonakala ngamazinga aphezulu e-undecane, i-dodecane, i-benzonitrile ne-benzaldehyde.Amasampula oMnyango Wocwaningo Lwemitholampilo (owaziwa nangokuthi Umnyango Wokucwaninga Ngesibindi) abonise i-alpha-pinene eyengeziwe, i-disopropyl phthalate, kanye ne-3-carene.Umoya oxubile wegumbi lokusebenza ubonakala ngokuqukethwe okuphezulu kwe-branched decane, i-branched dodecane, i-branched tridecane, i-propionic acid, i-2-methyl-, i-2-ethyl-3-hydroxyhexyl ether, i-toluene ne-2 - ukuba khona kwe-crotonaldehyde.Umtholampilo weziguli ezingalalisiwe (i-Paterson Building) unokuqukethwe okuphezulu kwe-1-nonanol, i-vinyl lauryl ether, i-benzyl alcohol, i-ethanol, i-2-phenoxy, i-naphthalene, i-2-methoxy, isobutyl salicylate, i-tridecane, ne-branched chain tridecane.Ekugcineni, umoya wasendlini oqoqwe elabhorethri ye-mass spectrometry ubonise i-acetamide eyengeziwe, i-2'2'2-trifluoro-N-methyl-, i-pyridine, i-furan, i-2-pentyl-, i-branched undecane, i-ethylbenzene, i-m-xylene, i-o-xylene, i-furfural kanye ne-ethylanisate.Amazinga ahlukahlukene we-3-carene abekhona kuzo zonke izingosi ezinhlanu, okuphakamisa ukuthi le VOC iwukungcola okuvamile okunamazinga aphezulu abonwayo endaweni yocwaningo lomtholampilo.Uhlu lwama-VOC okuvunyelwene ngawo abelana ngesikhundla ngasinye lungatholakala kuThebula Lokwengeza 3. Ngaphezu kwalokho, ukuhlaziya okungaguquki kwenziwa ku-VOC ngayinye yentshisekelo, futhi zonke izikhundla zaqhathaniswa nezinye kusetshenziswa ukuhlolwa kwe-Wilcoxon okukabili okulandelwa ukulungiswa kukaBenjamini-Hochberg. .Iziqephu zebhulokhi ze-VOC ngayinye zethulwe ku-Supplementary Figure 1. Amajika e-organic compound aguquguqukayo okuphefumula abonakala ezimele endaweni, njengoba kuphawulwe ku-PCA elandelwa yi-PERMANOVA (p = 0.39) (Umfanekiso 3b). Ukwengeza, amamodeli e-PLS-DA ahamba ngamabili akhiqizwa phakathi kwazo zonke izindawo ezihlukene zamasampula okuphefumula, kodwa awekho umehluko obalulekile okhonjiwe (p > 0.05). Ukwengeza, amamodeli e-PLS-DA ahamba ngambili akhiqizwa phakathi kwazo zonke izindawo ezihlukene zamasampuli okuphefumula, kodwa awekho umehluko obalulekile okhonjiwe (p > 0.05). In the Khetha u-Pls-da вле 'не бббяве Ngaphezu kwalokho, amamodeli abhanqiwe e-PLS-DA nawo akhiqizwa phakathi kwazo zonke izindawo ezihlukene zesampula yokuphefumula, kodwa awukho umehluko obalulekile otholiwe (p > 0.05).此外，在呼吸樣本的所有不同位置之间也生成了成对PLS-DA 模型，但未发现显着差异(p > 0.05). I-PLS-DA 模型，但未发现显着差异(p > 0.05). Кроме того, парные модели PLS-DA также были сгенерированы между всеми различными местоположениями образцов дыхания, но суестобличные > 0,05). Ngaphezu kwalokho, amamodeli abhanqiwe e-PLS-DA nawo akhiqizwa phakathi kwazo zonke izindawo ezihlukene zesampula yokuphefumula, kodwa awukho umehluko obalulekile otholiwe (p > 0.05).
Izinguquko emoyeni ongaphakathi endlini kodwa hhayi emoyeni okhishiwe, ukusatshalaliswa kwe-VOC kuyehluka kuye ngendawo yesampula, ukuhlaziya okungagadiwe kusetshenziswa i-PCA kukhombisa ukwehlukana phakathi kwamasampula omoya wasendlini aqoqwe ezindaweni ezihlukene kodwa angahambelani namasampula omoya okhishwe umoya.Izinkanyezi zisho amasentimitha eqembu.
Kulolu cwaningo, sihlaziye ukusatshalaliswa kwama-VOC omoya wasendlini ezindaweni ezinhlanu ezijwayelekile zamasampula okuphefumula ukuze sithole ukuqonda okungcono komthelela wamazinga e-VOC angemuva ekuhlaziyeni umoya.
Ukuhlukaniswa kwamasampula omoya wasendlini kwabonwa kuzo zonke izindawo ezinhlanu ezihlukene.Ngaphandle kwe-3-carene, eyayikhona kuzo zonke izindawo ezifundwayo, ukuhlukaniswa kwakubangelwa ama-VOC ahlukene, okunikeza indawo ngayinye uhlamvu oluthile.Emkhakheni wokuhlolwa kwe-endoscopy, izinhlanganisela zezinto eziphilayo ezidala ukwehlukana eziguquguqukayo ikakhulukazi ama-monoterpenes afana ne-beta-pinene nama-alkanes afana ne-dodecane, i-undecane ne-tridecane, avame ukutholakala emafutheni abalulekile avame ukusetshenziswa emikhiqizweni yokuhlanza 13. Uma kucatshangelwa i-endoscopic yokuhlanza imvamisa amadivaysi, lawa ma-VOC cishe awumphumela wezinqubo zokuhlanza endlini njalo.Kulabhorethri yocwaningo lwemitholampilo, njengaku-endoscopy, ukuhlukaniswa kubangelwa ikakhulukazi ama-monoterpenes afana ne-alpha-pinene, kodwa futhi mhlawumbe nama-ejenti okuhlanza.Egunjini lokusebenza eliyinkimbinkimbi, isiginesha ye-VOC iqukethe ikakhulukazi ama-alkane anamagatsha.Lezi zinhlanganisela zingatholakala emathuluzi okuhlinza njengoba zicebile ngamafutha kanye nezinto zokugcoba14.Esimeni sokuhlinza, ama-VOC ajwayelekile ahlanganisa izinhlobonhlobo zotshwala: i-1-nonanol, etholakala emafutheni emifino nemikhiqizo yokuhlanza, kanye notshwala be-benzyl, obutholakala kumakha nemithi ebulala izinzwa yendawo.15,16,17,18 VOCs elabhorethri ye-mass spectrometry ihluke kakhulu kulokho okulindelekile kwezinye izindawo njengoba lena ukuphela kwendawo engekho emtholampilo ehloliwe.Ngenkathi amanye ama-monoterpenes ekhona, iqembu elifana kakhulu lezinhlanganisela labelana ngale ndawo nezinye izinhlanganisela (2,2,2-trifluoro-N-methyl-acetamide, pyridine, branched undecane, 2-pentylfran, ethylbenzene, furfural, ethylanisate).), i-orthoxylene, i-meta-xylene, i-isopropanol ne-3-carene), okuhlanganisa ama-hydrocarbon anephunga elimnandi nama-alcohol.Amanye alawa ma-VOC angase abe ngowesibili kumakhemikhali asetshenziswa elabhorethri, ahlanganisa amasistimu e-mass spectrometry ayisikhombisa asebenza ku-TD nezindlela zokujova uketshezi.
Nge-PLS-DA, kwabonwa ukuhlukaniswa okuqinile kwamasampula omoya wasendlini nokuphefumula, okubangelwa ama-VOC angu-62 kwangu-113 atholiwe.Emoyeni wasendlini, lawa ma-VOC angaphandle futhi ahlanganisa i-disopropyl phthalate, i-benzophenone, i-acetophenone kanye ne-benzyl alcohol, evame ukusetshenziswa kuma-plasticizers namakha-19,20,21,22 akamuva angatholakala emikhiqizweni yokuhlanza16.Amakhemikhali atholakala emoyeni okhishwe umoya ayingxube yama-VOC angapheli kanye nangaphandle.Ama-Endogenous VOCs ahlanganisa ikakhulukazi ama-alkanes anamagatsha, ayimikhiqizo ye-lipid peroxidation23, kanye ne-isoprene, i-byproduct ye-cholesterol synthesis24.Ama-VOC angaphandle ahlanganisa ama-monoterpenes afana ne-beta-pinene ne-D-limonene, engalandelelwa emuva kumafutha abalulekile e-citrus (aphinde asetshenziswe kabanzi emikhiqizweni yokuhlanza) kanye nezivimbelakuvunda zokudla13,25.I-1-Propanol ingaba endogenous, okubangelwa ukuwohloka kwama-amino acid, noma angaphandle, akhona kuma-disinfectants26.Uma kuqhathaniswa nokuphefumula komoya wasendlini, amazinga aphezulu ezinto eziphilayo eziguquguqukayo ayatholakala, ezinye zazo ezihlonzwe njengezingaba izimpawu zesifo.I-Ethylbenzene ikhonjiswe ukuthi ingaba i-biomarker yezifo eziningi zokuphefumula, okuhlanganisa umdlavuza wamaphaphu, i-COPD27 kanye ne-pulmonary fibrosis28.Uma kuqhathaniswa neziguli ezingenawo umdlavuza wamaphaphu, amazinga e-N-dodecane ne-xylene nawo atholakale ezindaweni eziphakeme ezigulini ezinomdlavuza wamaphaphu29 kanye ne-metacymol ezigulini ezine-ulcerative colitis30 esebenzayo.Ngakho-ke, noma ngabe ukuhluka komoya wasendlini kuyithinti iphrofayili yokuphefumula iyonke, kungathinta amazinga athile e-VOC, ngakho-ke ukuqapha umoya ongemuva wasendlini kusengabalulekile.
Kuphinde kwaba nokuhlukana phakathi kwamasampula omoya wasendlini aqoqwe ekuseni nantambama.Izici eziyinhloko zamasampula ekuseni ama-alkanes e-branched, avame ukutholakala exogenously emikhiqizweni yokuhlanza kanye nama-wax31.Lokhu kungachazwa yiqiniso lokuthi wonke amagumbi omtholampilo amane afakwe kulolu cwaningo ahlanzwa ngaphambi kokuthathwa komoya wegumbi.Zonke izindawo zomtholampilo zihlukaniswa ngama-VOC ahlukene, ngakho-ke lokhu kuhlukaniswa akunakubalelwa ekuhlanzeni.Uma kuqhathaniswa namasampula asekuseni, amasampula ntambama ngokuvamile abonisa amazinga aphezulu engxube yotshwala, ama-hydrocarbon, ama-ester, ama-ketone, nama-aldehyde.Kokubili i-1-propanol ne-phenol zingatholakala kuma-disinfectants26,32 okulindeleke ukuthi kunikezwe ukuhlanzwa okuvamile kwayo yonke indawo yomtholampilo usuku lonke.Ukuphefumula kuqoqwa ekuseni kuphela.Lokhu kungenxa yezinye izici eziningi ezingathinta izinga lama-organic compounds aguquguqukayo emoyeni okhishwe phakathi nosuku, ongakwazi ukulawulwa.Lokhu kubandakanya ukusetshenziswa kweziphuzo kanye nokudla33,34 kanye namazinga ahlukahlukene okuzivocavoca35,36 ngaphambi kokuthatha isampula yokuphefumula.
Ukuhlaziywa kwe-VOC kusalokhu kuhamba phambili ekuthuthukisweni kokuxilonga okungahlaseli.Ukumiswa kwamasampula kuyinselele, kodwa ukuhlaziya kwethu kubonise ngokuphelele ukuthi awukho umehluko obalulekile phakathi kwamasampula okuphefumula aqoqwe ezindaweni ezahlukene.Kulolu cwaningo, sibonise ukuthi okuqukethwe kwezinto eziphilayo ezishintshashintshayo emoyeni wasendlini kuncike endaweni nesikhathi sosuku.Kodwa-ke, imiphumela yethu iphinde ibonise ukuthi lokhu akuthinti kakhulu ukusatshalaliswa kwezakhi eziphilayo eziguquguqukayo emoyeni okhishwa umoya, okuphakamisa ukuthi isampula yokuphefumula ingenziwa ezindaweni ezahlukene ngaphandle kokuthinta kakhulu imiphumela.Okuncamelayo kunikezwa ukufaka amasayithi amaningi kanye nokuphindaphinda amaqoqo esampula ngokuhamba kwesikhathi eside.Okokugcina, ukuhlukaniswa komoya wasendlini ovela ezindaweni ezahlukene kanye nokuntuleka kokuhlukaniswa emoyeni okhishwe umoya kubonisa ngokucacile ukuthi isayithi lesampula alithinti kakhulu ukwakheka komoya womuntu.Lokhu kuyakhuthaza ocwaningweni lokuhlaziya umoya njengoba kususa into engase idide ekumisweni kokuqoqwa kwedatha yokuphefumula.Nakuba wonke amaphethini okuphefumula avela esihlokweni esisodwa ayewumkhawulo wocwaningo lwethu, kungase kunciphise umehluko kwezinye izici ezididayo ezithonywa ukuziphatha komuntu.Amaphrojekthi ocwaningo oluqondiswa izigwegwe olulodwa ngaphambilini asetshenziswe ngempumelelo ezifundweni eziningi37.Nokho, ukuhlaziya okwengeziwe kuyadingeka ukuze kufinyelelwe esiphethweni esiqinile.Ukusampula komoya wasendlini okujwayelekile kusatuswa, kanye nokuthatha amasampula okuphefumula ukuze kukhishwe inhlanganisela yangaphandle kanye nokuhlonza ukungcola okuthile.Sincoma ukuthi kuqedwe utshwala be-isopropyl ngenxa yokuvama kwayo emikhiqizweni yokuhlanza, ikakhulukazi kuzilungiselelo zokunakekelwa kwempilo.Lolu cwaningo lukhawulwe ngenani lamasampuli okuphefumula aqoqwe endaweni ngayinye, futhi umsebenzi owengeziwe uyadingeka ngenani elikhulu lamasampuli okuphefumula ukuze kuqinisekiswe ukuthi ukwakheka komoya womuntu akuthinti kakhulu umongo lapho amasampula atholakala khona.Ukwengeza, idatha yomswakama ohlobene (i-RH) ayizange iqoqwe, futhi nakuba sivuma ukuthi umehluko ku-RH ungathinta ukusatshalaliswa kwe-VOC, izinselele zokuhleleka kukho kokubili ukulawula kwe-RH nokuqoqwa kwedatha ye-RH zibalulekile ezifundweni zesilinganiso esikhulu.
Sengiphetha, ucwaningo lwethu lubonisa ukuthi ama-VOC emoyeni ongaphakathi ahluka ngendawo nesikhathi, kodwa lokhu akubonakali kunjalo kumasampula okuphefumula.Ngenxa yosayizi omncane wesampula, akwenzeki ukuthola iziphetho eziqondile mayelana nomthelela womoya ongaphakathi endlini ekuthathweni kwesampula yokuphefumula kanye nokuhlaziywa okwengeziwe kuyadingeka, ngakho-ke kunconywa ukuthatha amasampula omoya asendlini ngesikhathi sokuphefumula ukuze kutholwe noma yikuphi ukungcola okungaba khona, ama-VOC.
Ukuhlola kwenzeka izinsuku zokusebenza eziyi-10 zilandelana esibhedlela i-St Mary's e-London ngo-February 2020. Usuku ngalunye, amasampula okuphefumula amabili kanye namasampuli omoya angaphakathi endlini athathwa endaweni ngayinye kweziyisihlanu, ukuze uthole amasampula angu-300 esewonke.Zonke izindlela zenziwa ngokuhambisana neziqondiso nemithethonqubo efanele.Izinga lokushisa lazo zonke izindawo ezinhlanu zamasampula lalilawulwa ku-25°C.
Kwakhethwa izindawo ezinhlanu ukuze kuthathwe amasampula omoya wasendlini: Ilabhorethri ye-Mass Spectrometry Instrumentation, Indawo Yokuhlinza, Igumbi Lokuhlinza, Indawo Yokuhlola, Indawo Yokuhlola I-Endoscopic, kanye Negumbi Lokufunda Lomtholampilo.Isifunda ngasinye sikhethiwe ngoba ithimba lethu labacwaningi livame ukuzisebenzisa ukuze liqashe ababambiqhaza ukuze bahlaziye umoya.
Umoya wegumbi wathathwa ngamashubhu e-Tenax TA/Carbograph e-thermal desorption (TD) ane-inert (Markes International Ltd, Llantrisan, UK) engu-250 ml/min imizuzu emi-2 kusetshenziswa iphampu yesampula yomoya evela kwa-SKC Ltd., Ubunzima obuphelele Sebenzisa 500 ml umoya wegumbi elizungezile kushubhu ngalinye le-TD.Amashubhu abe esevalwa ngezigqoko zethusi ukuze athuthelwe emuva elabhorethri ye-mass spectrometry.Amasampula omoya wasendlini ayethathwa ngokushintshana endaweni ngayinye nsuku zonke kusukela ngo-9:00 kuya ku-11:00 futhi futhi kusukela ngo-15:00 kuya ku-17:00.Amasampuli athathwe ayimpinda.
Amasampula okuphefumula aqoqwa ezifundweni ngazinye ezingaphansi kwesampula yomoya wasendlini. Inqubo yesampula yokuphefumula yenziwa ngokomthetho ogunyazwe yi-NHS Health Research Authority—London—Camden & Kings Cross Research Ethics Committee (reference 14/LO/1136). Inqubo yesampula yokuphefumula yenziwa ngokomthetho ogunyazwe yi-NHS Health Research Authority—London—Camden & Kings Cross Research Ethics Committee (reference 14/LO/1136). Процесс отбора проб дыхания проводился в соответствии - протоколом, одобренным den & Kings Cross (ссылка 14/LO/1136). Inqubo yesampula yokuphefumula yenziwa ngokuhambisana nephrothokholi egunyazwe yi-NHS Medical Research Authority - London - Camden & Kings Cross Research Ethics Committee (Ref. 14/LO/1136).Inqubo yokuthatha isampula yokuphefumula yenziwe ngokuhambisana nezinqubo ezigunyazwe yi-NHS-London-Camden Medical Research Agency kanye neKomidi le-King's Cross Research Ethics Committee (ref 14/LO/1136).Umcwaningi unikeze imvume ebhaliwe enolwazi.Ngezinjongo zokujwayelekile, abacwaningi babengadlanga noma baphuze kusukela phakathi kwamabili ngobusuku bangaphambilini.Ukuphefumula kwaqoqwa kusetshenziswa isikhwama esilahlwayo esenziwe ngokwezifiso esingu-1000 ml Nalophan (PET polyethylene terephthalate) kanye nesirinji ye-polypropylene esetshenziswa njengomlomo ovaliwe, njengoba kuchazwe ngaphambilini nguBelluomo et al.I-Nalofan ikhonjiswe ukuthi iyindawo ekahle yokugcina ukuphefumula ngenxa yokungabi namandla kwayo kanye nekhono lokuhlinzeka ngokuzinza okuhlanganisiwe kuze kufike emahoreni ayi-1238.Ehlala kulesi simo okungenani imizuzu eyi-10, umhloli ukhiphela umoya esikhwameni sesampula ngesikhathi sokuphefumula okuvamile.Ngemuva kokugcwalisa umthamo omkhulu, isikhwama sivalwa nge-syringe plunger.Njengamasampula omoya asendlini, sebenzisa iphampu yesampula yomoya ye-SKC Ltd. imizuzu eyi-10 ukuze udonse umoya esikhwameni ngeshubhu le-TD: xhuma inaliti enkulu yobubanzi ngaphandle kwesisefo empompeni yomoya ngakolunye uhlangothi lweshubhu le-TD ngepulasitiki. amashubhu kanye ne-SKC.I-acupuncture isikhwama futhi uhogele umoya ngesilinganiso esingu-250 ml/min ngeshubhu ngalinye le-TD imizuzu emi-2, ulayishe ingqikithi yokuphefumula okungu-500 ml kushubhu ngalinye le-TD.Amasampuli aphinde aqoqwa ngokuyimpinda ukuze kuncishiswe ukuhlukahluka kwamasampula.Ukuphefumula kuqoqwa ekuseni kuphela.
Amashubhu e-TD ahlanzwa kusetshenziswa i-TC-20 TD tube conditioner (Markes International Ltd, Llanntrisant, UK) imizuzu engu-40 ku-330 ° C nokugeleza kwe-nitrogen okungu-50 ml/min.Wonke amasampuli ahlaziywa phakathi kwamahora angu-48 eqoqwe kusetshenziswa i-GC-TOF-MS.I-Agilent Technologies 7890A GC yabhangqwa nokusethwa kwe-thermal desorption ye-TD100-xr kanye ne-BenchTOF Select MS (Markes International Ltd, Llantrisan, UK).Ishubhu ye-TD yaqale yashiswa ngaphambili iminithi elingu-1 ngesilinganiso sokugeleza esingu-50 ml/min.I-desorption yasekuqaleni yenziwa ku-250°C imizuzu emi-5 ngokugeleza kwe-helium okungu-50 ml/min ukuze kuncishiswe ama-VOC ogibeni olubandayo (I-Material Emissions, Markes International, Llantrisant, UK) ngemodi yokuhlukanisa (1:10) ngo-25. °C.I-cold trap (yesibili) i-desorption yenziwa ku-250 ° C (ngokushisa kwe-ballistic 60 ° C / s) imizuzu engu-3 ngesilinganiso sokugeleza kwe-He 5.7 ml / min, futhi izinga lokushisa lokugeleza ku-GC laliqhuma ngokuqhubekayo.kufika ku-200 ° С.Ikholomu bekuyikholomu ye-Mega WAX-HT (20 m×0.18 mm×0.18 μm, Chromalytic, Hampshire, USA).Izinga lokugeleza kwekholomu limiswe ukuze libe ngu-0.7 ml/min.Izinga lokushisa likahhavini laliqale libekwe ku-35° C. imizuzu engu-1.9, bese likhushulelwa ku-240° C. (20° C./min, libambe imizuzu emi-2).Ulayini wokudlulisa we-MS wagcinwa eku-260°C futhi umthombo we-ion (70 eV electron impact) wagcinwa ku-260°C.I-MS analyzer isethwe ukuthi irekhode ukusuka ku-30 kuye ku-597 m/s.I-Desorption esicupheni esibandayo (ayikho ishubhu le-TD) kanye ne-desorption kushubhu ye-TD ehlanzekile enesimo esimisiwe kwenziwa ekuqaleni nasekupheleni kokuhlolwa ngakunye ukuze kuqinisekiswe ukuthi ayikho imiphumela ye-carryover.Ukuhlaziywa okufanayo okungenalutho kwenziwa ngokushesha ngaphambi nangemva kokuchithwa kwamasampula okuphefumula ukuze kuqinisekiswe ukuthi amasampula angahlaziywa ngokuqhubekayo ngaphandle kokulungisa i-TD.
Ngemva kokuhlolwa okubonakalayo kwama-chromatogram, amafayela edatha eluhlaza ahlaziywa kusetshenziswa i-Chromspace® (Sepsolve Analytical Ltd.).Inhlanganisela yentshisekelo ikhonjwe kumasampula omoya omele kanye negumbi.Isichasiselo esisuselwe ku-VOC mass spectrum kanye nenkomba yokugcinwa kusetshenziswa ilabhulali ye-NIST 2017 mass spectrum. Izinkomba zokugcinwa zibalwe ngokuhlaziya ingxube ye-alkane (nC8-nC40, 500 μg/mL ku-dichloromethane, Merck, USA) 1 μL yaqhinqa kumashubhu e-TD anesimo esithathu ngomshini wokulayisha wesixazululo sokulinganisa futhi yahlaziywa ngaphansi kwezimo ezifanayo ze-TD-GC–MS. futhi ohlwini lwenhlanganisela eluhlaza, yilabo kuphela abane-reverse match factor > 800 abagcinelwe ukuhlaziywa. Izinkomba zokugcinwa zibalwe ngokuhlaziya ingxube ye-alkane (nC8-nC40, 500 μg/mL ku-dichloromethane, Merck, USA) 1 μL yaqhinqa kumashubhu e-TD anesimo esithathu ngomshini wokulayisha wesixazululo sokulinganisa futhi yahlaziywa ngaphansi kwezimo ezifanayo ze-TD-GC–MS. futhi ohlwini lwenhlanganisela eluhlaza, yilabo kuphela abane-reverse match factor > 800 abagcinelwe ukuhlaziywa.Izinkomba zokugcinwa zibalwe ngokuhlaziya i-1 µl yengxube ye-alkanes (nC8-nC40, 500 µg/ml ku-dichloromethane, Merck, USA) kumashubhu e-TD anesimo esinesimo esithathu kusetshenziswa iyunithi yokulayisha isisombululo sokulinganisa futhi yahlaziywa ngaphansi kwe-TD-GC-MS efanayo. izimo.kanye ne-isходного списка соединений для анализа были оставлены только соединения с коэфффициентом обратного совпадения > 800. futhi ohlwini lwangempela lwezinhlanganisela, izinhlanganisela kuphela ezine-coefficient yokuhlehla yokufana> 800 zigcinelwe ukuhlaziywa.通过分析烷烃混合物（nC8-nC40，500 μg/mL 在二氯甲烷中，Merck，USA)将1 μL 加标到三个调节过的TD 管上，并在相同的TD-GC-MS 条件下进行分析并且从原始化合物列表中，仅保留反向匹配因子> 800的化合物物通过 分析 烷烃 (（nc8-nc40，500 μg/ml 在 中， , merck , USA） 保留 指数调节 过的 的 管 , 并 在 在 .在 tema tema tema tema tema tema .Izinkomba zokugcinwa zibalwe ngokuhlaziya ingxube yama-alkanes (nC8-nC40, 500 μg/ml ku-dichloromethane, Merck, USA), i-1 μl yengezwe kumashubhu e-TD anesimo esinqunyiwe amathathu ngokulinganisa isilayishi sesixazululo futhi yengezwe lapho.выполненных в тех же условиях TD-GC-MS kanye ne-з исходного списка соединений, для анализа были оставлены только соединения с конфосто80 > . eyenziwa ngaphansi kwezimo ezifanayo ze-TD-GC-MS futhi kusukela kuhlu lwangempela lwenhlanganisela, izinhlanganisela kuphela ezinesici esiphambene esilingana nesici> 800 sagcinwa ukuze sihlaziywe.I-oksijeni, i-argon, i-carbon dioxide kanye nama-siloxanes nawo ayasuswa. Okokugcina, noma yiziphi izinhlanganisela ezinesilinganiso somsindo wesignali <3 nazo azifakiwe. Okokugcina, noma yiziphi izinhlanganisela ezinesilinganiso somsindo wesignali <3 nazo azifakiwe. Наконец, любые соединения с отношением сигнал/шум <3 также были исключены. Ekugcineni, noma yiziphi izinhlanganisela ezine-signal-to-noise ratio <3 nazo azifakiwe.最后，还排除了信噪比< 3 的任何化合物。最后，还排除了信噪比< 3 的任何化合物。 Наконец, любые соединения с отношением сигнал/шум <3 также были исключены. Ekugcineni, noma yiziphi izinhlanganisela ezine-signal-to-noise ratio <3 nazo azifakiwe.Ubuningi obuhlobene benhlanganisela ngayinye bese bukhishwa kuwo wonke amafayela edatha kusetshenziswa uhlu oluhlanganisiwe oluwumphumela.Uma kuqhathaniswa ne-NIST 2017, ama-compounds angu-117 akhonjwe kumasampula okuphefumula.Ukukhetha kwenziwe kusetshenziswa isofthiwe ye-MATLAB R2018b (inguqulo 9.5) kanye ne-Gavin Beta 3.0.Ngemuva kokuhlolwa okwengeziwe kwedatha, ezinye izinhlanganisela ze-4 azifakwanga ngokuhlola okubonakalayo kwama-chromatogram, okushiya izinhlanganisela ze-113 ukuthi zifakwe ekuhlaziyweni okulandelayo.Kutholwe inala yalezi zinhlanganisela kuwo wonke amasampula angama-294 acutshungulwe ngempumelelo.Amasampula ayisithupha akhishiwe ngenxa yekhwalithi yedatha ephansi (amashubhu e-TD avuzayo).Kumadathasethi asele, ukuhlobana kohlangothi olulodwa luka-Pearson kubalwe phakathi kwama-VOC angu-113 kumasampuli okulinganisa aphindaphindiwe ukuze kuhlolwe ukukhiqizwa kabusha.I-coefficient yokuhlobanisa yayingu-0.990 ± 0.016, futhi inani le-p lalingu-2.00 × 10–46 ± 2.41 × 10–45 (i-arithmetic isho ukuthi ± ukuchezuka okujwayelekile).
Konke ukuhlaziya kwezibalo kwenziwe ku-R version 4.0.2 (R Foundation for Statistical Computing, Vienna, Austria).Idatha nekhodi esetshenziselwa ukuhlaziya nokwenza idatha itholakala esidlangalaleni ku-GitHub (https://github.com/simonezuffa/Manuscript_Breath).Iziqongo ezihlanganisiwe zaqale zaguqulwa ilogi zase zijwayezwa kusetshenziswa ukujwayelekile kwendawo yonke.Amasampuli anezilinganiso eziphindaphindiwe asongwe afika enanini elimaphakathi.Amaphakheji we-“ropls” kanye ne-“mixOmics” asetshenziselwa ukudala amamodeli e-PCA angagadiwe namamodeli e-PLS-DA agadiwe.I-PCA ikuvumela ukuthi ukhombe amasampula angaphandle angama-9.Isampuli yokuphefumula eyinhloko yahlanganiswa nesampula yomoya wegumbi futhi yathathwa njengeshubhu elingenalutho ngenxa yephutha lesampula.Amasampuli angu-8 asele amasampula omoya wegumbi aqukethe i-1,1′-biphenyl, 3-methyl.Ukuhlola okwengeziwe kubonise ukuthi wonke amasampula angu-8 abe nokukhiqizwa kwe-VOC okuphansi kakhulu uma kuqhathaniswa namanye amasampula, okuphakamisa ukuthi lokhu kukhishwa kubangelwa iphutha lomuntu ekulayisheni amashubhu.Ukuhlukaniswa kwendawo kuhlolwe ku-PCA kusetshenziswa i-PERMANOVA kusuka kuphakheji ye-vegan.I-PERMANOVA ikuvumela ukuthi ubone ukuhlukaniswa kwamaqembu ngokusekelwe kuma-centroids.Le ndlela ike yasetshenziswa ngaphambilini ezifundweni ezifanayo ze-metabolomic39,40,41.Iphakheji ye-ropls isetshenziselwa ukuhlola ukubaluleka kwamamodeli we-PLS-DA kusetshenziswa okungahleliwe okuphindwe kasikhombisa kokuqinisekisa okuphambene kanye nezimvume ezingu-999. Amakhompiyutha anesikolo sokubaluleka okuguquguqukayo (i-VIP) > 1 acatshangelwe njengokufanelekile ekuhlukaniseni futhi agcinwe njengokubalulekile. Amakhompiyutha anesikolo sokubaluleka okuguquguqukayo (i-VIP) > 1 acatshangelwe njengokufanelekile ekuhlukaniseni futhi agcinwe njengokubalulekile. Соединения с показателем проекции переменной важности (VIP) > 1 считались подходящими для классификации и сохранялись как значимые. Inhlanganisela ene-variable value projection score (VIP) > 1 ithathwe njengefaneleka ukuhlukaniswa futhi igcinwe njengokubalulekile.具有可变重要性投影(VIP) 分数> 1 的化合物被认為与分类相关并保留为显着.具有可变重要性投影(VIP) 分数> 1 Соединения с оценкой переменной важности (VIP) > 1 считались подходящими для классификации и оставались значимыми. Izinhlanganisela ezinamanani wokubaluleka okuguquguqukayo (VIP) > 1 zithathwe njengezifaneleka ukuhlukaniswa futhi zahlala zibalulekile.Imithwalo evela kumodeli ye-PLS-DA iphinde yakhishwa ukuze kunqunywe iminikelo yeqembu.Ama-VOC endawo ethile anqunywa ngokusekelwe ekuvumelaneni kwamamodeli abhanqiwe e-PLS-DA. Ukwenza kanjalo, zonke izindawo amaphrofayili e-VOCs ahlolwe ngokumelene nelinye futhi uma i-VOC ene-VIP > 1 yayihlala ibalulekile kumamodeli futhi ibizwa ngokuthi isendaweni efanayo, yabe isithathwa ngokuthi indawo ethile. Ukwenza kanjalo, zonke izindawo amaphrofayili e-VOCs ahlolwe ngokumelene nelinye futhi uma i-VOC ene-VIP > 1 yayihlala ibalulekile kumamodeli futhi ibizwa ngokuthi isendaweni efanayo, yabe isithathwa ngokuthi indawo ethile. Для этого профили ЛОС всех местоположений были проверены друг против друга, and если ЛОС с VIP> 1 у же месту, тогда он считался специфичным для местоположения. Ukwenza lokhu, amaphrofayili e-VOC azo zonke izindawo ahlolwe ngokumelene nenye, futhi uma i-VOC ene-VIP > 1 yayibalulekile ngokuqhubekayo kumamodeli futhi ibhekiselwa endaweni efanayo, ngakho-ke yayibhekwa njengeqondene nendawo ethile.為此，对所有位置的VOC 配置文件进行了相互测试，如果VIP > 1 的VOC 在模型始终显着并归归因但家归定位置.為 此 , 对所有的的 voc 配置 文件 了相互 测试 , 如果 vip> 1 的 voc 在 中 始终 显着 并 归 一特定。。。 位置 位置 位置 位置 位置 位置 位置位置 位置С этой целью профили ЛОС во всех местоположениях были сопоставлены друг с другом, ЛОС с VIP> 1 считался зависяеставлены от нно значимым в модели и относился к одному и тому же местоположению. Kuze kube manje, amaphrofayela e-VOC kuzo zonke izindawo aqhathaniswe namanye, futhi i-VOC ene-VIP > 1 yayibhekwa njengencike endaweni uma yayibalulekile ngokungaguquki kumodeli futhi ibhekiselwa endaweni efanayo.Ukuqhathaniswa komoya kanye namasampula omoya wasendlini kwenziwe kuphela kumasampula athathwe ekuseni, ngoba awekho amasampula okuphefumula athathwa ntambama.Ukuhlolwa kwe-Wilcoxon kwasetshenziselwa ukuhlaziywa okungaguquki, futhi izinga lokutholwa okungamanga labalwa kusetshenziswa ukulungiswa kwe-Benjamin-Hochberg.
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Isikhathi sokuthumela: Sep-28-2022