2014-01-012024-05-18https://scholars.lib.ntu.edu.tw/handle/123456789/703932摘要：卵磷脂與膽鹽或金屬離子的接合在人體生理功能上扮演著至關重要的角色，如脂肪消化與細胞膜運輸等。生理功能的正常運作需要依靠這些分子自組裝所形成的特殊超分子結構來達成，而分子間的交互作用正是形成這些超分子結構的主要驅動力，故了解分子間的作用是一個重要的課題。由於在水溶液中，水分子會干擾生物分子間作用力的量測，造成研究上的困難，因此卵磷脂與膽鹽/金屬離子之間的交互作用到目前為止還不完全清楚。在這個計畫中，台灣的研究人員將在低極性有機溶劑且無水的環境中研究分子間的交互作用，包含作用的官能基團與作用力強弱等。並將進一步應用所獲得的基本知識來製備更多有用的超分子結構，特別是卵磷脂與膽鹽在水溶液中預期可以形成黏彈性質的蠕蟲狀微胞，這類新材料將可運用於藥物傳遞。俄羅斯科學家則將進行卵磷脂與膽鹽/金屬離子在有機溶液和水溶液中的理論分析與計算模擬，以了解本系統自組裝的特殊性，期能利用所獲知識有效調控超分子結構的型態與尺度。在本計畫中實驗分析與理論計算將同時進行、相互驗證，旨在創造出可預測、可調控、且穩定的卵磷脂超分子結構，並發展其在生物醫藥方面的應用。<br> Abstract: Lecithin bound with bile salts or metal ions play crucial roles in functioning human body, such as digestion and cell membrane transport, respectively. All the functions require right supramolecular structures formed by these molecules to work accurately and the supramolecular structures are determined by the molecular interactions. However, the interactions between lecithin and bile salts/metal ions are still not fully understood due to the strong side interactions of the molecules with water that may interfere with the measurements. In this proposal, the Taiwanese researchers first plan to experimentally investigate the intermolecular interactions in low-polar organic solvents (oils) where the interactions can be probed without the disturbance of water. They will further apply the fundamental knowledge of interactions to create more useful supramolecular structures, especially the wormlike micelles formed by lecithin and bile salts in water, which are expected to be viscoelastic and can be used in drug delivery. The Russian scientists will work on theoretical analysis of models of mixtures of lecithin with molecules of bile salts (and in some systems also with multivalent ions of alkaline earth metals and rare earth metals) in organic and in water solutions and perform computer simulations. The goal is to understand the peculiarities of self-organization in such systems and to use this knowledge and gained insights for improved control over the structure formation and over the morphology of arising supramolecular assemblies, which can be used in medical applications, drug delivery, biodegradable substances, etc. In particular, one would like to construct supramolecular systems, which undergo reversible transformations and, thus, can be switched forward and backward between different types of assemblies with tunable dimensions or between different types of desired morphologies. Using a multidisciplinary approach, combining advanced synthetic strategies, experimental and theoretical approaches as well as massive computer simulation (both fully atomistic and coarse-grained), we are going to attack this problem, aiming at predicting the stable assemblies built up from the lecithin-based supramolecules and their phase diagrams for bulk state.lecithinbile saltsmetal ionsself-assemblymolecular interactions