Cruz Elkin, Montoya Andrés, Ágreda Jesús
Departamento de Química, Universidad Nacional de Colombia, sede Bogotá, Colombia.
Departamento de Matemáticas, Universidad Nacional de Colombia, sede Bogotá, Colombia.
MethodsX. 2023 Aug 16;11:102307. doi: 10.1016/j.mex.2023.102307. eCollection 2023 Dec.
Homochirality, the phenomenon by which one of two virtually identical (non-superimposable mirror images) compounds is favored over the other in the chemistry of life, has been regarded as a requisite for the emergence of all living things on earth. Spontaneous mirror symmetry breaking has been proposed to produce the imbalance. Under this framework, Frank presented, in his foundational article "On spontaneous asymmetric synthesis", a simple chemical reaction network that displays spontaneous symmetry breaking for a specific set of reaction rates. Research has since focused on finding more complex and plausible models, each one with its advantages and disadvantages. Nevertheless, finding reaction rate values that make a model exhibit spontaneous symmetry breaking is a complex task, even for specially crafted models. near ability ysis of mical echanism, Listanalchem, is a method and software for the search for appropriate reaction rates. It includes four different algorithms inspired by the analysis of Frank's network. Two classical algorithms are also included in Listanalchem: the Trace-Determinant plane and the Stoichiometric Network Analysis by Bruce Clarke. Listanalchem reads a chemical reaction network from plain text and runs one or more of the available algorithms according to the user selection. Listanalchem is tested and verified by studying classical, modified, and recent models proposed to explain the origin of biological homochirality.•Listanalchem allows a fast and reliable search for instability behavior in chemical mechanisms that pretend to explain spontaneous mirror symmetry breaking.•Listanalchem contains several model examples, including the most cited in the related literature.•Listanalchem is a tool that tests models that pretend to explain the origin of biological homochirality, helps find errors, and aids in designing new models.
同手性是指在生命化学过程中,两种几乎完全相同(不可重叠的镜像)的化合物中的一种比另一种更受青睐的现象,它被认为是地球上所有生命出现的必要条件。有人提出,自发的镜像对称性破缺会产生这种不平衡。在这个框架下,弗兰克在其具有奠基意义的文章《论自发不对称合成》中提出了一个简单的化学反应网络,该网络在特定的一组反应速率下会表现出自发的对称性破缺。从那以后,研究一直集中在寻找更复杂且更合理的模型,每个模型都有其优缺点。然而,即使对于精心构建的模型,找到能使模型表现出自发对称性破缺的反应速率值也是一项复杂的任务。Listanalchem,即微观机制分析,是一种用于寻找合适反应速率的方法和软件。它包括受弗兰克网络分析启发的四种不同算法。Listanalchem中还包括两种经典算法:迹 - 行列式平面法和布鲁斯·克拉克的化学计量网络分析法。Listanalchem从纯文本读取化学反应网络,并根据用户选择运行一种或多种可用算法。通过研究为解释生物同手性起源而提出的经典、改进和最新模型,对Listanalchem进行了测试和验证。
Listanalchem能够在试图解释自发镜像对称性破缺的化学机制中快速可靠地搜索不稳定性行为。
Listanalchem包含多个模型示例,包括相关文献中引用最多的。
Listanalchem是一种工具,用于测试试图解释生物同手性起源的模型,帮助发现错误,并辅助设计新模型。