FET: Medium: Collaborative Research: Engineerable Molecular Computing: Flying like an Airplane, not like a Bird

通过化学反应进行计算在生物学中很普遍，因为每个细胞都对内部和外部化学信号进行复杂的信息处理。同样具有决策能力的工程合成生化途径将影响制造业、化学传感和医学领域的一系列应用。由该项目资助的工作使用两种新范式构建智能分子系统，这两种范式虽然受到生物学的启发，但与进化的生物系统（类似于飞机不是通过拍打翅膀飞行的）非常不同。该项目的成功将导致对化学反应如何执行信息处理的新理解，以及新一代功能分子器件。由该项目资助的教育和推广活动，与数学妇女协会合作，也解决了计算机科学研究中女性比例低的严重问题。直接分析和操纵分子信息（例如，编码在各种分子浓度中的信息）是分子计算胜过电子计算的地方。该项目通过两种新的范式推进了计算机科学理论和实验能力，以设计核酸（DNA）的化学信息处理：(1)由反应的化学计量学编程的分子计算（独立于反应速率）；(2)用简单的热力学组合模型编程的分子计算。与现有的方法相比，新的范例具有更强的健壮性和更容易的可编程性。此外，与现有方法相比，该提议将产生可重用的分子计算，从而切换输入导致动态更新输出。该奖项反映了美国国家科学基金会的法定使命，并通过使用基金会的知识价值和更广泛的影响审查标准进行评估，被认为值得支持。

Computation via chemical reactions is prevalent in biology as every cell performs sophisticated information processing on internal and external chemical signals. Engineering synthetic biochemical pathways that are likewise capable of decision-making will impact a range of applications in manufacturing, chemical sensing, and medicine. Work funded by this project constructs smart molecular systems using two novel paradigms that, although inspired by biology, are very different from evolved biological systems (analogously to how airplanes do not fly by flapping their wings). The success of this project will lead to a new understanding of how chemical reactions can perform information processing, and to a new generation of functional molecular devices. The educational and outreach activities funded by this project, in collaboration with the Association for Women in Mathematics, also address the serious problem of the low percentage of women in computer science research.Direct analysis and manipulation of molecular information (e.g., the information encoded in the concentrations of various molecules) is where molecular computing outcompetes its electronic counterparts. The project advances the computer science theory and experimental capability to engineer chemical information processing with nucleic acids (DNA) by two new paradigms: (1) molecular computation programmed by the stoichiometry of reactions (independent of reaction rates); (2) molecular computation programmed by a simple combinatorial model of thermodynamics. The new paradigms result in greater robustness and easier programmability than existing approaches. Also, in contrast to existing methods, this proposal will yield reusable molecular computation, whereby switching the input results in dynamically updating output.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.