摘要:阳离子-π相互作用(Cation-π interactions)是由于带正电荷的实体(positively charged entities)与芳香族的π-电子云(π-electron cloud of aromatic groups)之间有很强的吸引力而产生的。阳离子-π相互作用的物理化学特性特别适合于膜蛋白的疏水/亲水双重环境。随着膜蛋白的高分辨率结构数据使分子特征越来越清晰,...
Illustrates the importance of nonadditive effects in describing cation-pi interactions. Standard molecular mechanical methods in molecular systems; Model that includes polarization; Some subtle issues in nonadditive molecular mechanical model.CaldwellJames...
Cation—π Interactions: Nonadditive Effects Are Critical in Their Accurate RepresentationWe have shown that the addition of polarizability to a molecular ... James,W.,Caldwell,... - 《Journal of the American Chemical Society》 被引量: 0发表: 1995年 Cation—π Interactions: Nonadditive Effects Ar...
Energetically, cation-p interactions are comparable to or stronger than either a typical hydrogen bond or interaction between ion pairs (salt bridge) and thus make a significant contribution to the recognition and binding of ligands to their receptors and can be valuable when predicting drug-receptor...
Similar to these other non-covalent bonds, cation–π interactions play an important role in nature, particularly in , and . The effect has also been observed and put to use in synthetic systems.Cationpi interactionE G
"Cation-π Interactions" Detected by Mass Spectrometry; Selective Recognition of Alkali Metal Cations by a π-Basic Molecular Cavity ldquo;cation-π interactions” detected by mass spectrometry; selective recognition of alkali metal cations by a π-basic molecular cavitymass spectro... F Inokuchi,Y ...
The preference of Arg is higher than Lys to form cation–π interactions. The pair-wise cation–π interaction energy between aromatic and positively charged residues shows that Arg–Tyr energy is the strongest among the possible six pairs. The structural analysis of cation–π interaction forming ...
This interaction is an example of noncovalent bonding between a monopole (cation) and a (π system). Bonding energies are significant, with solution-phase values falling within the same order of magnitude as and . Similar to these other non-covalent bonds, cation–π interactions play an ...
Cation-pi and anion-pi interactionsIn this review, we analyze the interaction of ions with aromatic ringsFronteraQuioneroDeyàCation-pi and anion-pi interactions. Antonio Frontera,David Quinonero,Pere M. Deya. WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE . 2011...
Cation-pi interaction - a key force for sorption of fluoroquinolone antibiotics on pyrogenic carbonaceous materials. Cation-pi attraction is a major force that determines macromolecular structures and drug-receptor interactions. However, the role of the cation-pi interaction in sorption of amino ...