Ukuzihlanganisa kweemolekyuli
--umda wekhemistri eluhlaza ngaphandle kokuqhawula ibhondi kunye nokudibanisa kwakhona
Umgaqo ongundoqo wokuzihlanganisa ngokwazo iimolekyuli:
1. Njengokutsala umdla - ukuqhuba izinto ezifanayo ukuqokelela kunye nokucwangcisa enye kwenye, kunye nezinto ezineempawu ezihambelanayo ukutsala enye kwenye.
2. Awona mandla asezantsi-intshukumo yezinto kunye nokuziphatha kwemolekyuli kuya kuthambekela kwezona meko zizinzile. Yindlela yokuba amaqela eemolekyuli alungelelaniswe abe ngamacandelo ahambele phambili.
I-molecular self-assembly-designability, isakhiwo se-CP phakathi kweemolekyuli sinokuphucula kakhulu umsebenzi webhayoloji:
1. I-molecule nganye inesakhiwo sayo esiyingqayizivele kunye neempawu ezisebenzayo, kwaye kunzima ukufezekisa i-synergy kunye nonyango oluchanekileyo olusekelwe ekuxubeni kwamahhala kwinqanaba lokuqulunqa.
2. Kusekho iimolekyuli ezininzi ezinomsebenzi ogqwesileyo webhayoloji ezithintele kakhulu ukufunxa kunye nokusetyenziswa kwazo ngenxa yeempawu zazo ezimbi.
3. Izinto ezisebenzayo zamayeza emveli aseTshayina zibaluleke kakhulu malunga "nenkosi, abaphathiswa kunye nabancedisi", kunokuba i-hodgepodge ibe ngcono ngakumbi.
Ukuguqulwa kwesakhiwo se-Supramolecular kunye nemodeli yenkqubo yohlalutyo lokuphucula:
1. I-Computer-aid-high-throughput screening yokukhangela ngokukhawuleza i-precursors efanelekileyo evela kwi-Cambridge Crystal Data Centre.
2. Sebenzisa ithiyori esebenzayo yoxinaniso ukufunda i-supramolecular structure kunye ne-assembly properties ezigqitywe yi-intermolecular forces, kwaye ubone ukuba yeyiphi na i-supramolecular type is the formation trend.
3. Ngokuhlalutya iimeko zokuphendula kunye nobunzima, isakhiwo se-supramolecular salungiswa.
4. Ukubalwa kweepropati ezahlukeneyo ze-supramolecules, kubandakanywa umbane, i-optical kunye ne-thermodynamic properties.
5. Ukubalwa kweepropati ze-spectral ezifana ne-molecular spectrum kunye ne-energy spectrum.
I-6.Nge-teknoloji ye-molecular docking, iisayithi zokusebenzisana phakathi kwezinto eziluhlaza ze-supramolecular kunye neeprotheni ezijoliswe kuzo ziqikelelwe, kwaye indlela yokusebenzisana phakathi kweeamolekyu ichazwe ngokunzulu.