Bioengineering, California Institute of Technology, Pasadena, CA 91125, USA.
Computer Science, California Institute of Technology, Pasadena, CA 91125, USA.
J R Soc Interface. 2020 May;17(166):20190790. doi: 10.1098/rsif.2019.0790. Epub 2020 May 27.
Models of well-mixed chemical reaction networks (CRNs) have provided a solid foundation for the study of programmable molecular systems, but the importance of spatial organization in such systems has increasingly been recognized. In this paper, we explore an alternative chemical computing model introduced by Qian & Winfree in 2014, the surface CRN, which uses molecules attached to a surface such that each molecule only interacts with its immediate neighbours. Expanding on the constructions in that work, we first demonstrate that surface CRNs can emulate asynchronous and synchronous deterministic cellular automata and implement continuously active Boolean logic circuits. We introduce three new techniques for enforcing synchronization within local regions, each with a different trade-off in spatial and chemical complexity. We also demonstrate that surface CRNs can manufacture complex spatial patterns from simple initial conditions and implement interesting swarm robotic behaviours using simple local rules. Throughout all example constructions of surface CRNs, we highlight the trade-off between the ability to precisely place molecules and the ability to precisely control molecular interactions. Finally, we provide a Python simulator for surface CRNs with an easy-to-use web interface, so that readers may follow along with our examples or create their own surface CRN designs.
均相化学反应网络(CRN)模型为可编程分子系统的研究提供了坚实的基础,但此类系统中空间组织的重要性日益受到重视。在本文中,我们探索了 Qian & Winfree 在 2014 年引入的另一种化学计算模型,即表面 CRN,它使用附着在表面上的分子,使得每个分子仅与其直接邻居相互作用。在该工作的基础上进行扩展,我们首先证明表面 CRN 可以模拟异步和同步确定性元胞自动机,并实现连续活动的布尔逻辑电路。我们引入了三种在局部区域内强制同步的新技术,每种技术在空间和化学复杂性方面都有不同的权衡。我们还证明,表面 CRN 可以从简单的初始条件制造复杂的空间模式,并使用简单的局部规则实现有趣的群体机器人行为。在所有表面 CRN 的示例构造中,我们都强调了精确放置分子的能力和精确控制分子相互作用的能力之间的权衡。最后,我们提供了一个带有易于使用的网络界面的 Python 表面 CRN 模拟器,以便读者可以遵循我们的示例或创建自己的表面 CRN 设计。