Ukuzihlanganisa kwamangqamuzana
--ikhemistri eluhlaza ngaphandle kokuphulwa kwebhondi nokuxhuma kabusha
Umgomo oyinhloko wokuzihlanganisa kwamangqamuzana:
1. Njengokuheha njengokufana - ukushayela izinto ezifanayo ukuze ziqoqe futhi zihlele zodwa, kanye nezinto ezinezici ezihambisanayo ukuze zihehe.
2. Amandla aphansi kakhulu—ukunyakaza kwezindaba kanye nokuziphatha kwamangqamuzana kuzothambekela esimeni esizinzile. Kuyindlela yokuthi amaqembu amangqamuzana ahlelwe abe izakhiwo ezithuthukile.
Ukwakheka kwama-molecular self-assembly, ukwakheka kwe-CP phakathi kwama-molecule kungathuthukisa kakhulu umsebenzi webhayoloji:
1. I-molecule ngayinye inesakhiwo sayo esiyingqayizivele kanye nezici zokusebenza, futhi kunzima ukufeza i-synergy kanye nokwelashwa okunembile okusekelwe ekuxubeni kwamahhala ezingeni lokubunjwa.
2. Kusenama-molecule amaningi anomsebenzi omuhle kakhulu webhayoloji anciphise kakhulu ukumuncwa kwawo nokusetshenziswa kwawo ngenxa yezimpawu zawo ezingezinhle.
3. Izinto ezisebenzayo zomuthi wendabuko waseShayina zibaluleke kakhulu mayelana "nenkosi, izikhonzi kanye nabasizi", kunokuba i-hodgepodge engcono kakhulu.
Ukuguqulwa kwesakhiwo se-Supramolecular kanye nemodeli yenqubo yokuhlaziya yokuthuthukisa:
1. Ukuhlolwa kokusebenza okuphezulu okusizwa ngekhompyutha ukuze kuhlolwe ngokushesha izandulela ezifanele ezivela e-Cambridge Crystal Data Center.
2. Sebenzisa ithiyori yokusebenza kokuminyana ukuze ufunde isakhiwo se-supramolecular nezici zokuhlanganisa ezinqunywa amandla e-intermolecular, futhi unqume ukuthi yiluphi uhlobo lwe-supramolecular oluwumkhuba wokwakheka.
3. Ngokuhlaziya izimo zokusabela nobunzima, isakhiwo se-supramolecular sathuthukiswa.
4. Ukubalwa kwezakhiwo ezihlukahlukene zama-supramolecules, okuhlanganisa izakhiwo zikagesi, ezibonakalayo kanye ne-thermodynamic.
5. Ukubalwa kwezakhiwo ze-spectral ezifana ne-molecular spectrum kanye ne-energy spectrum.
6.Ngobuchwepheshe be-molecular docking, amasayithi okusebenzelana phakathi kwezinto ezingavuthiwe ze-supramolecular kanye namaprotheni okuhlosiwe ayabikezelwa, futhi indlela yokusebenzisana phakathi kwama-molecule ichazwa ngokujulile.