A mathematical theory of redox biology.

IF 3 3区 综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES
James N Cobley, Michalis G Nikolaidis
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引用次数: 0

Abstract

Redox biology is commonly described through functional labels, such as oxidant, reductant, antioxidant, signalling mediator or damage mediator. However, these labels do not define invariant molecular properties. A molecule may realize different functions depending on reaction partner, local coupling, spatial domain and prior trajectory. Function is therefore not primitive but emergent. Here, we develop a mathematical theory of redox biology from first principles. At the mesoscopic level, chemically defined molecular states are treated as objects and reactions as transformations, yielding an admissible biochemical state space naturally represented as a hypergraph. Function is then defined as a derived relational quantity induced by realized flux over this structural network. As realized flux is temporally mutable, function is necessarily dynamic. By introducing locality, the realized redox state is mathematically represented as an informational occupancy field over space and time. This field is bounded, admits geometric deformation and provides a formal basis for memory, attractors and coarse-grained scalar descriptions like oxidative stress. Measurement and manipulation are treated as coupled informational interfaces to this field, bounding causal inference. The theory yields falsifiable predictions, including flux-dependent function at fixed concentration and history-dependent responses under matched present inputs.

氧化还原生物学的数学理论。
氧化还原生物学通常通过功能标签来描述,如氧化剂、还原剂、抗氧化剂、信号介质或损伤介质。然而,这些标签不能定义不变的分子性质。一个分子可以根据反应伙伴、局部耦合、空间域和先验轨迹实现不同的功能。因此,功能不是原始的,而是紧急的。在这里,我们从第一性原理发展了氧化还原生物学的数学理论。在介观水平上,化学上定义的分子状态被视为物体,反应被视为转化,从而产生一个可接受的生化状态空间,自然地表示为超图。然后将函数定义为由该结构网络上的实现通量引起的派生关系量。由于实现的通量在时间上是可变的,函数必然是动态的。通过引入局部性,实现的氧化还原态在数学上表示为空间和时间上的信息占用场。这个领域是有界的,允许几何变形,并为记忆、吸引子和氧化应激等粗粒度标量描述提供了形式化基础。测量和操作被视为该领域的耦合信息接口,约束因果推理。该理论产生了可证伪的预测,包括固定浓度下的通量依赖函数和匹配当前输入下的历史依赖响应。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
Royal Society Open Science
Royal Society Open Science Multidisciplinary-Multidisciplinary
CiteScore
6.00
自引率
0.00%
发文量
508
审稿时长
14 weeks
期刊介绍: Royal Society Open Science is a new open journal publishing high-quality original research across the entire range of science on the basis of objective peer-review. The journal covers the entire range of science and mathematics and will allow the Society to publish all the high-quality work it receives without the usual restrictions on scope, length or impact.
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