Systems chemistry is the science of studying
networks
Network, networking and networked may refer to:
Science and technology
* Network theory, the study of graphs as a representation of relations between discrete objects
* Network science, an academic field that studies complex networks
Mathematics
...
of interacting molecules, to create new functions from a set (or library) of molecules with different hierarchical levels and emergent properties.
Systems chemistry is also related to the origin of life (
abiogenesis
In biology, abiogenesis (from a- 'not' + Greek bios 'life' + genesis 'origin') or the origin of life is the natural process by which life has arisen from non-living matter, such as simple organic compounds. The prevailing scientific hypothes ...
).
Relations to systems biology
Systems chemistry is a relatively
young
Young may refer to:
* Offspring, the product of reproduction of a new organism produced by one or more parents
* Youth, the time of life when one is young, often meaning the time between childhood and adulthood
Music
* The Young, an American roc ...
sub-discipline of
chemistry
Chemistry is the science, scientific study of the properties and behavior of matter. It is a natural science that covers the Chemical element, elements that make up matter to the chemical compound, compounds made of atoms, molecules and ions ...
, where the focus does not lie on the individual chemical components but rather on the overall network of interacting molecules and on their emergent properties. Hence, it combines the classical knowledge of chemistry (structure, reactions and interactions of molecules) together with a systems approach inspired by
systems biology
Systems biology is the computational modeling, computational and mathematical analysis and modeling of complex biological systems. It is a biology-based interdisciplinary field of study that focuses on complex interactions within biological syst ...
and
systems science.
Examples
Dynamic combinatorial chemistry
Dynamic combinatorial chemistry (DCC); also known as constitutional dynamic chemistry (CDC) is a method to the generation of new molecules formed by reversible reaction of simple building blocks under thermodynamic control.Schaufelberger, F.; Timm ...
has been used as a method to develop ligands for biomolecules and receptors for small molecules.
Ligand
In coordination chemistry, a ligand is an ion or molecule (functional group) that binds to a central metal atom to form a coordination complex. The bonding with the metal generally involves formal donation of one or more of the ligand's electr ...
s that can recognize biomolecules are being identified by preparing libraries of potential ligands in the presence of a target biomacromolecule. This is relevant for application as biosensors for fast monitoring of imbalances and illnesses and therapeutic agents.
Individual components of certain chemical system will
self-assemble to form receptors which are complementary to target molecule. In principle, the preferred library members will be selected and amplified based on the strongest interactions between the template and products.
Molecular networks and equilibrium
A fundamental difference exists between chemistry as it is performed in most laboratories and chemistry as it occurs in life. Laboratory processes are mostly designed such that the (closed) system goes thermodynamically downhill; i.e. the product state is of lower
Gibbs free energy
In thermodynamics, the Gibbs free energy (or Gibbs energy; symbol G) is a thermodynamic potential that can be used to calculate the maximum amount of work that may be performed by a thermodynamically closed system at constant temperature and pr ...
, yielding stable molecules that can be isolated and stored. Yet the chemistry of life operates in a very different way: most molecules from which living systems are constituted are turned over continuously and are not necessarily thermodynamically stable. Nevertheless, living systems can be stable, but in a
homeostatic
In biology, homeostasis (British also homoeostasis) (/hɒmɪə(ʊ)ˈsteɪsɪs/) is the state of steady internal, physical, and chemical conditions maintained by living systems. This is the condition of optimal functioning for the organism and i ...
sense. Such homeostatic (open) systems are far-from-equilibrium and are dissipative: they need energy to maintain themselves. In dissipative controlled systems the continuous supply of energy allows a continuous transition between different supramolecular states, where systems with unexpected properties may be discovered. One of the grand challenges of Systems Chemistry is to unveil
complex reactions networks, where molecules continuously consume energy to perform specific functions.
History
While multicomponent reactions have been studied for centuries, the idea of deliberately analyzing mixtures and reaction networks is more recent. The first mentions of systems chemistry as a field date from 2005. Early adopters focused on prebiotic chemistry combined with
supramolecular chemistry
Supramolecular chemistry refers to the branch of chemistry concerning chemical systems composed of a discrete number of molecules. The strength of the forces responsible for spatial organization of the system range from weak intermolecular forces, ...
, before it was generalized to the study of emergent properties and functions of any complex molecular systems. A 2017 review in the field of systems chemistry
described the state of the art as out-of-equilibrium self-assembly, fuelled molecular motion, chemical networks in compartments and oscillating reactions.
References
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Systems science
Chemistry
Complex systems theory
Systems theory