Kua Jeremy, Tripoli L Philip
Department of Chemistry and Biochemistry, University of San Diego, San Diego, CA 92110, USA.
Life (Basel). 2024 Jul 25;14(8):933. doi: 10.3390/life14080933.
The core autocatalytic cycle of the formose reaction may be enhanced or eroded by the presence of simple molecules at life's origin. Utilizing quantum chemistry, we calculate the thermodynamics and kinetics of reactions both within the core cycle and those that deplete the reactants and intermediates, such as the Cannizzaro reaction. We find that via disproportionation of aldehydes into carboxylic acids and alcohols, the Cannizzaro reaction furnishes simple catalysts for a variety of reactions. We also find that ammonia can catalyze both in-cycle and Cannizzaro reactions while hydrogen sulfide does not; both, however, play a role in sequestering reactants and intermediates in the web of potential reactions.
在生命起源时，简单分子的存在可能会增强或削弱甲醛聚糖反应的核心自催化循环。利用量子化学，我们计算了核心循环内反应以及消耗反应物和中间体的反应（如坎尼扎罗反应）的热力学和动力学。我们发现，通过醛歧化为羧酸和醇，坎尼扎罗反应为各种反应提供了简单的催化剂。我们还发现，氨可以催化循环内反应和坎尼扎罗反应，而硫化氢则不能；然而，两者在潜在反应网络中隔离反应物和中间体方面都发挥了作用。
