Kudziphatikiza kwa mamolekyu
- chemistry yobiriwira yobiriwira popanda kusweka ndi kulumikizananso
Mfundo yaikulu ya molecular self-assembly:
1. Monga zimakopa ngati - kuyendetsa zinthu zofanana kuti zisonkhane ndi kukonzana, ndi zinthu zomwe zimayenderana kuti zikopane.
2. Mphamvu yotsika kwambiri—kuyenda kwa zinthu ndi kakhalidwe ka maselo kamakhala kokhazikika. Ndi njira yoti magulu a mamolekyu asanjidwe kukhala zinthu zapamwamba.
Kudzipangira kwa mamolekyulu, kapangidwe ka CP pakati pa mamolekyu kumatha kusintha kwambiri zochitika zachilengedwe:
1. Molekyu iliyonse imakhala ndi mawonekedwe ake apadera komanso magwiridwe antchito, ndipo ndizovuta kukwaniritsa ma synergy ndi chithandizo cholondola potengera kusakanikirana kwaufulu pamlingo wopangidwira.
2. Pali mamolekyu ambiri omwe ali ndi zochitika zabwino kwambiri zamoyo zomwe zachepetsa kwambiri kuyamwa ndi kugwiritsa ntchito kwawo chifukwa cha makhalidwe awo oipa.
3. Zomwe zimagwiritsidwa ntchito pamankhwala achi China ndizopadera kwambiri za "mfumu, nduna ndi othandizira", m'malo mokhala movutikira kwambiri.
Supramolecular structure modified and optimization process process model:
1. Kuwunika kwapamwamba kothandizidwa ndi makompyuta kuti awonedwe mwamsanga zotsatila zoyenera kuchokera ku Cambridge Crystal Data Center.
2. Gwiritsani ntchito chiphunzitso cha kachulukidwe ka ntchito kuti muphunzire mawonekedwe a supramolecular ndi katundu wamagulu omwe amatsimikiziridwa ndi mphamvu za intermolecular, ndikuwonetsetsa kuti ndi mtundu wanji wa supramolecular womwe umapangidwira.
3. Pofufuza momwe zinthu zilili komanso zovuta, mawonekedwe a supramolecular adakonzedwa bwino.
4. Kuwerengera zamitundu yosiyanasiyana ya ma supramolecules, kuphatikiza magetsi, kuwala ndi thermodynamic.
5. Mawerengedwe a spectral katundu monga molecular sipekitiramu ndi sipekitiramu mphamvu.
6.Kupyolera mu teknoloji ya docking ya ma molekyulu, malo ochitirana pakati pa zinthu zopangira supramolecular ndi mapuloteni omwe amawunikira amanenedweratu, ndipo njira yolumikizirana pakati pa mamolekyu ikufotokozedwa mozama.