Herein we report 50 structurally related supramolecular self‐associating amphiphilic (SSA) salts and related compounds. These SSAs are shown to act as antimicrobial agents, active against model Gram‐positive (methicillin‐resistant Staphylococcus aureus) and/or Gram‐negative (Escherichia coli) bacteria of clinical interest. Through a combination of solution‐state, gas‐phase, solid‐state and in silico measurements, we determine 14 different physicochemical parameters for each of these 50 structurally related compounds. These parameter sets are then used to identify molecular structure‐physicochemical property‐antimicrobial activity relationships for our model Gram‐negative and Gram‐positive bacteria, while simultaneously providing insight towards the elucidation of SSA mode of antimicrobial action.

中文翻译：

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预测氢键自缔合两亲物的抗菌功效。

在此，我们报道了 50 种结构相关的超分子自缔合两亲 (SSA) 盐和相关化合物。这些 SSA 被证明可作为抗菌剂，对临床感兴趣的模型革兰氏阳性（耐甲氧西林金黄色葡萄球菌）和/或革兰氏阴性（大肠杆菌）细菌具有活性。通过结合溶液态、气相、固态和计算机测量，我们确定了这 50 种结构相关化合物中每一种的 14 种不同的物理化学参数。然后使用这些参数集来确定我们的模型革兰氏阴性菌和革兰氏阳性菌的分子结构-物理化学性质-抗菌活性关系，同时为阐明 SSA 抗菌作用模式提供见解。