Based on Boolean logic, molecular keypad locks secure molecular information, typically with an optical output. Here we investigate a rare example of a molecular keypad lock with a chemical output. To this end, the light‐activated release of biologically important nitric oxide from a ruthenium complex is studied, using proton concentration and photon flux as inputs. In a pH‐dependent equilibrium, a nitritoruthenium(II) complex is turned into a nitrosylruthenium(II) complex, which releases nitric oxide under irradiation with visible light. The precise prediction of the output nitric oxide concentration as function of the pH and photon flux is achieved with an artificial intelligence approach, namely the adaptive neuro‐fuzzy inference system. In this manner an exceptionally high level of control over the output concentration is obtained. Moreover, the provided concept to lock a chemical output as well as the output prediction may be applied to other (photo)release schemes.

中文翻译：

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通过分子键盘锁增强对一氧化氮光释放的控制

基于布尔逻辑，分子键盘通常通过光学输出来锁定安全的分子信息。在这里，我们研究了具有化学输出的分子键盘锁的罕见示例。为此，使用质子浓度和光子通量作为输入，研究了钌络合物中具有重要生物学意义的一氧化氮的光激活释放。在 pH 依赖性平衡中，硝基钌 (II) 络合物转化为亚硝酰钌 (II) 络合物，在可见光照射下释放一氧化氮。通过人工智能方法（即自适应神经模糊推理系统）实现输出一氧化氮浓度作为 pH 值和光子通量函数的精确预测。以这种方式，获得了对输出浓度的异常高水平的控制。此外，所提供的锁定化学输出以及输出预测的概念可以应用于其他（照片）释放方案。