Umklamo wezinto zokusetshenziswa ezintsha

Ukuhlangana kwama-molecule

--ikhemistri eluhlaza emngceleni ngaphandle kokuphuka kwesibopho nokuxhuma kabusha

Isimiso esiyinhloko sokuzihlanganisa kwama-molecule:

1. Okufanayo kuyakhanga okufana - ukushayela izinto ezifanayo ukuze zihlangane futhi zihleleke, kanye nezinto ezinezakhiwo ezihambisanayo ukuze zikhangane.

2. Amandla aphansi kakhulu—ukunyakaza kwezinto kanye nokuziphatha kwama-molecule kuzothambekela esimweni esizinzile kakhulu. Kuyindlela yokuthi amaqembu ama-molecule ahlelwe abe yizakhiwo ezithuthukile.

Njengoba isakhiwo se-CP phakathi kwama-molecule singathuthukisa kakhulu umsebenzi wezinto eziphilayo, singaba nokwakheka kokuhlanganiswa kwama-molecule:

1. I-molecule ngayinye inesakhiwo sayo esiyingqayizivele kanye nezakhiwo zayo zokusebenza, futhi kunzima ukufeza ukusebenzisana kanye nokwelashwa okunembile okusekelwe ekuxubeni okukhululekile ezingeni lokwakheka.

2. Kusekhona ama-molecule amaningi anomsebenzi omuhle kakhulu wezinto eziphilayo anciphise kakhulu ukumuncwa kwawo kanye nokusetshenziswa kwawo ngenxa yezici zawo ezimbi.

3. Izinto ezisebenzayo zemithi yendabuko yaseShayina zigxile kakhulu "kumakhosi, ongqongqoshe kanye nabasizi", kunokuba kube yi-hodgepodge yabaningi, kungcono kakhulu.

Imodeli yenqubo yokuguqulwa kwesakhiwo se-Supramolecular kanye nokwenza ngcono:

1. Ukuhlolwa kwe-high-throughput okusiza ngekhompyutha ukuze kuhlolwe ngokushesha izinto ezifanelekile ezivela eCambridge Crystal Data Center.

2. Sebenzisa ithiyori yokusebenza kobuningi ukuze utadishe isakhiwo se-supramolecular kanye nezakhiwo zokuhlangana ezinqunywa amandla aphakathi kwama-molecule, bese unquma ukuthi yiluphi uhlobo lwe-supramolecular oluyindlela yokwakheka.

3. Ngokuhlaziya izimo zokusabela kanye nobunzima, isakhiwo se-supramolecular senziwa ngcono.

4. Ukubalwa kwezakhiwo ezahlukahlukene zama-supramolecule, kufaka phakathi izakhiwo zikagesi, ze-optical kanye ne-thermodynamic.

5. Ukubalwa kwezakhiwo ze-spectral ezifana ne-molecule spectrum kanye ne-energy spectrum.

6. Ngobuchwepheshe bokufaka ama-molecule, izindawo zokuxhumana phakathi kwezinto zokusetshenziswa eziphezulu kanye namaprotheni aqondiwe ziyabikezelwa, futhi indlela yokusebenzisana phakathi kwama-molecule ichazwa ngokujulile.

Ubuchwepheshe be-Supramolecular eutectic/Ionic salt

Izici zobuchwepheshe: okokuqala embonini, ukuhlola izingxenye ze-CP ezinhle kakhulu zezingxenye ezisebenzayo zokuqinisa i-eutectic

Izinzuzo: ukunciphisa ukucasuka, ukuthuthukisa ukuncibilika, ukuthuthukisa ukusebenza, ukukhuthaza ukungena kwamanzi, ukuthuthukisa ukuzinza

Izibonelo zezithako: i-salicylic acid, i-uric acid, i-ferulic acid, i-glycyrrhizic acid, i-adenosine, i-niacinamide, i-4MSK

Izithako ezisebenzayo zemvelo ezithathwe kukhathalogi yezinto zokusetshenziswa kwezimonyo, ngemuva kokuhlolwa kokuqinisekisa okufana nokulingisa amakhemikhali e-quantum, ukuhlolwa okuphezulu, ukwenza ngcono i-Gaussian, i-KingDraw, i-MestReNova, i-FTIR, kanye ne-NMR, imikhiqizo etholakele inesakhiwo esihle kakhulu sekristalu esinezinhlangothi ezintathu, ukuzinza okuhle, Ubumsulwa obuphezulu, ukungcola okuncane. Ingaxazulula ngempumelelo amaphuzu obuhlungu okusetshenziswa kwezithako ezisebenzayo ekudleni, emithini nasezimonyweni, futhi ithuthukise ukutholakala kwezinto eziphilayo kanye nokuphepha kwezithako ezisebenzayo.

Ubuchwepheshe bokukhipha umsebenzi we-Supramolecular

izici zobuchwepheshe: Okokuqala embonini, inhlanganisela yobuchwepheshe bokunyathelisa ama-molecule kanye nezinyibilikisi zemvelo ze-supramolecular, ukukhishwa okuphumelelayo kwezithako ezisebenzayo zezitshalo

Izinzuzo: Ukukhipha okuqondiwe, ukusebenza kahle kokukhipha kukhushulwa ngokuphindwe ka-5 uma kuqhathaniswa nokukhipha utshwala, kanti ukukhipha amanzi kukhushulwa ngokuphindwe ka-20; akukho ukuhlukaniswa, ukunciphisa izindleko, Izithako ezikhuthaza ukungena Izibonelo: i-olive (oleuropein, i-hydroxytyrosol), i-rhodiola, i-Phyloporus yezokwelapha, i-white water lily, i-micrococcus

I-Natural deep eutectic solvent (NaDES): Yatholwa okokuqala ososayensi ekuhlaziyeni i-plant metabolomics. Phakathi nezigaba ezithile zokukhula kwezitshalo (ukuhluma, ukugcinwa kwe-cryopreservation), amaseli azokwakha ngokuzenzakalelayo uketshezi oluqinile oluzimele emanzini namafutha, olufana nengxube ye-eutectics.

Ngokusekelwe kubuchwepheshe besimanje bokuhlukanisa okuluhlaza, ubuchwepheshe be-membrane obuhlanganisiwe, obuhambisana nobuchwepheshe bokuthuthukisa i-ultrasonic / microwave ukuze kufezwe izinga lokushisa eliphansi, eliqondiwe, elisezingeni eliphezulu, ikhwalithi ephezulu kanye nokukhishwa okuluhlaza kwezingxenye ezisebenzayo. Ngokusebenzisa i-solvent yemvelo ye-supramolecular njenge-solvent yokukhipha ngempumelelo, ixazulula izinkinga eziningi ezifana nokusebenza kahle okuphansi, izindleko eziphezulu kanye nobunzima ekubuyiselweni koketshezi olungcolile kokukhishwa kwe-phytochemical yendabuko. I-solvent ye-supramolecular ekhishwe ikhethiwe ngenxa yokusebenza kwayo. I-solvent ye-supramolecular ekhethiwe inokusebenza okuzinzile kanye nokuncibilika okuthuthukisiwe kwezithako ezisebenzayo, futhi ukusebenza kahle kokukhipha kungandiswa izikhathi ezingu-20.

Ubuchwepheshe bokungena be-Supramolecular synergistic

Izici zobuchwepheshe: Okokuqala embonini, ngokusebenzisa i-supramolecular solvent, kukhuthaza ngokuhambisana ukungena kwama-macromolecule/okuncibilika emanzini/okunzima ukumunca izithako.

Izinzuzo zobuchwepheshe: ukuzinza okuthuthukisiwe, ukuthuthukiswa kokungena okungonakalisi futhi okusebenzayo, umphumela wokubambisana, ukucebisa okuqondisiwe ku-dermis, kanye nokutholakala kwezinto eziphilayo kukhuphuke ngokuphindwe ka-5-7 Izibonelo zezithako: i-collagen, i-Bosein, i-peptide yethusi eluhlaza okwesibhakabhaka, i-hexapeptide, i-peptide ehlanganisiwe, i-β-glucan.

Njengoba isisindo sama-molecule se-peptide sisakhulu uma siqhathaniswa nezinye izithako ezisebenzayo, ukungena kwesikhumba kuphansi kakhulu. Kudingeka izindlela ezithile zokuthuthukisa ukungena ukuze kuthuthukiswe umphumela wokumuncwa okwandisa ukungena kwe-peptide, ukuze kufezwe ukuhlushwa okuphansi kanye nokusebenza kahle okuphezulu, futhi kufezwe ukusebenza kahle kokulwa nokuguga.

Ngenxa yesimo esibuhlungu embonini sokungena kabi, ukuphilileka kwamanzi okuphezulu kanye nokutholakala okuncane kwe-macromolecule yendabuko, ukwenziwa kwemikhiqizo ye-JUNAS Time Particle ngosizo lwe-quantum chemistry, kungafinyelela ngqo ku-epidermis kanye ne-dermis yesikhumba ngokusebenzisa iziteshi ze-trans-cellular, intercellular kanye ne-follicular sweat duct. Ngaphandle kokulimaza isakhiwo sesikhumba. Ukutholakala kwe-bioavailability komkhiqizo kukhuliswa izikhathi ezi-5, kufaka phakathi okungaphezu kuka-45% ku-dermis, ngaphandle kokulimaza isakhiwo sesikhumba. Umphumela wokungena kanye nesikhathi sokuhlala kufezwe ukuthuthukiswa okukhulu. Lokhu kungokokuqala kohlobo lwayo embonini.

Ubuchwepheshe be-Supramolecular biocatalysis

I-catalysis eqondiswa yi-Bioenzyme: izinyibilikisi ze-supramolecular zisetshenziswa njengezinto ezisetshenziswayo ukuthuthukisa umsebenzi we-enzyme, ukuthuthukisa ukukhethwa kwe-chiral, nokufeza ubumsulwa obuphezulu

Ubunjiniyela bokuvutshelwa okuluhlaza kwe-fennel: khetha izitshalo ezihlukile, uthuthukise okuqukethwe kwezithako ezisebenzayo, ifomula engenamanzi, uthuthukise ukusebenza kahle okuphelele

Ubuchwepheshe bokuvutshelwa kwe-micellar obubuyela emuva: ukuhlola izinhlobo ezihlukile, ukuvubela uwoyela wemifino, imiphumela eminingi, ukuthuthukisa umuzwa wesikhumba nokuthuthukisa ukumuncwa

Ngokusekelwe kubuchwepheshe bezakhi zofuzo eziphindaphindwayo, ubuchwepheshe bokuklonyelwa kwezakhi zofuzo obunesinyathelo esisodwa kanye nobuchwepheshe bokuklonyelwa kwezakhi zofuzo obuphezulu, amabhaktheriya akhiwe ngezakhi zofuzo asetshenziswa njengabathwali bezakhi zofuzo ukuze kufezwe ukukhiqizwa okukhulu kwezinto ezisebenzayo:

Ngaphansi kohlelo lwe-supramolecular solvent, i-enzyme ikhombisa umsebenzi ophezulu, ukukhetha kanye nokuqina, ukusetshenziswa okuphezulu kwezinto zokusetshenziswa kwe-substrate, ukungcola okuncane enqubweni yokukhiqiza, izimo zokusabela ezithambile, ukusebenza okuphezulu kokuphepha kanye nokusebenza kokukhiqiza.

Ubuchwepheshe bokuvutshelwa kwe-micelle ebuyela emuva:

Amafutha emvelo akhethiwe anezimpawu zaseShayina i-lP aklanywe ngokuzenzakalelayo ukukhiqiza ama-surfactants ngaphansi kwesenzo sebhaktheriya enziwe ngofuzo. I-lt ihlanganiswe njengomthwali we-anti-micellar bundle ukuze kufezwe ukugoqwa kwe-anti-micellar bundle kwezithako ezisebenzayo ezincibilika emanzini ukuze kufezwe izimo zokusetshenziswa ezicebile, ulwazi lwesikhumba oluhle kakhulu, kanye nokusebenza kahle okuphawulekayo, ulwazi, kanye nokusebenza kahle okukhulu.

Ubuchwepheshe be-Supramolecular microencapsulation

Izici zobuchwepheshe: ukufakwa kwe-liposome, ukukhishwa okuqondiwe kwamaseli esikhumba, ukukhishwa okuqondiwe kwama-follicle ezinwele, kanye nokukhululwa okusabelayo kwezinto ezivuvukalayo

Izinzuzo: Ukwenziwa kabusha kwe-nano, ukulethwa okunembile, ukukhululwa okuqhubekayo okusebenza isikhathi eside, ukunciphisa ukucasuka, ukuthuthukisa ukuzinza, nokukhuthaza ukungena kwamanzi

Izibonelo zezithako: i-astaxanthin, i-glabridin, i-vitamin A, i-blue copper peptide, i-biotin, i-ceramide, uwoyela obalulekile wezitshalo

Ubuchwepheshe be-Supramolecular microencapsulation busekelwe ku-liposome, i-fat emulsion, ubuchwepheshe bokuzinza koketshezi lwe-ionic, ubuchwepheshe bokukhululwa kweseli lesikhumba okuqondiswe ku-follicle yezinwele, ubuchwepheshe bokukhululwa kwe-follicle yezinwele okuqondiswe ku-inflammatory factor, kanye nobuchwepheshe bokukhululwa kwe-inflammatory factor responsive. Ngokudala iziteshi zokuthutha zokwenziwa, umkhiqizo ungaletha izithako ezisebenzayo ngokunembile. Inezinga elihle kakhulu lokumuncwa kwe-transdermal, isikhathi eside sokuhlala kanye nokuqina okuhle endaweni eqondiwe yesikhumba. Iphinde ibe nezindleko eziphansi kanye nezicelo ezisebenza kahle kakhulu emkhakheni wezimonyo, ukudla okusebenzayo kanye nemithi.

Ubuchwepheshe bokuzihlanganisa ngokwezinga le-Peptide

Izici zobuchwepheshe: ukulawulwa kokuqala okuqondiswe embonini kwesakhiwo samazinga amaningi samaketanga e-amino acid nama-polypeptide, ama-peptide amafushane ahlanganiswe ngokwawo, ama-polypeptide e-supramolecular

Isiqondiso sobuchwepheshe: Thuthukisa ukuqina kwamanzi, thuthukisa ukuzinza kanye nokumelana nokushisa, nciphisa ubuthi kanye nokucindezeleka komzimba, khuthaza ukumuncwa, kanye nokusebenzisana

Izibonelo zezithako: i-supramolecular carnosine, i-yeast protein peptide

Ukuzihlanganisa kwamaprotheni nama-peptide akugcini nje ngokuba khona ezindaweni eziningi zokuphila, kodwa futhi kuyinto enhle kakhulu etholakala emzimbeni womuntu, futhi kungenye yezindlela ezisebenzayo zokuhlanganisa izinto ezincane neziphilayo. Inqubo yokuzihlanganisa ye-peptide iyinqubo yokuhlanganisa elandelanayo, kanti "isakhiwo se-zipper se-polar amino acid" uhlobo olusha lwesakhiwo se-super-secondary, esivumelana nokuhlanganiswa kwama-peptide okulandelanayo ukuze kwakheke ama-aggregates ahleliwe.

Ukulawulwa kobukhulu bama-peptide amafushane kungafinyelelwa ngokushintsha ukungezwani kwamanzi kanye nokuhlanganiswa kwe-side chain yezinsalela ze-hydrophobic.

Ngokusekelwe kusizindalwazi esiyingqayizivele se-Shinehigh Innovation se-ProteinDataBank (PDB), kuhlanganiswa nokubuka okuhlelekile kokuhlola, i-molecular dynamics kanye nokubalwa kwe-quantum chemistry ukuze kuhlaziywe isakhiwo sama-molecule e-peptide, bese uwafanisa nama-molecule azihlanganisa ngokwawo aphezulu. Ukuguqulwa kohlobo, inombolo kanye nendawo ehlobene yama-amino acid phakathi kwama-molecule e-peptide ukushintsha isakhiwo sawo esithile sokugoqa, ngaleyo ndlela kuthuthukiswe ikhono le-molecule lokuzihlanganisa ngokwalo. Qaphela ukulawulwa okuqondiwe kwama-peptide. I-peptide ezihlanganisa ngokwayo inobukhulu obukhulu kanye nokulingana, okuthuthukisa kakhulu ukuzinza kwe-peptide, ikhono le-transdermal kanye nokutholakala kwe-bioavailability.