Systems Chemistry
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Systems Chemistry
Systems chemistry is the science of studying networks 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). Relations to systems biology Systems chemistry is a relatively young sub-discipline of chemistry, 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 and systems science. Examples Dynamic combinatorial chemistry has been used as a method to develop ligands for biomolecules and receptors for small molecules. Ligands that can recognize biomolecules are being identified by preparing libraries of potential ligands in the presence of a target b ...
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Network Science
Network science is an academic field which studies complex networks such as telecommunication networks, computer networks, biological networks, cognitive and semantic networks, and social networks, considering distinct elements or actors represented by ''nodes'' (or ''vertices'') and the connections between the elements or actors as ''links'' (or ''edges''). The field draws on theories and methods including graph theory from mathematics, statistical mechanics from physics, data mining and information visualization from computer science, inferential modeling from statistics, and social structure from sociology. The United States National Research Council defines network science as "the study of network representations of physical, biological, and social phenomena leading to predictive models of these phenomena." Background and history The study of networks has emerged in diverse disciplines as a means of analyzing complex relational data. The earliest known paper in this f ...
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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 hypothesis is that the transition from non-living to living entities on Earth was not a single event, but an evolutionary process of increasing complexity that involved the formation of a habitable planet, the prebiotic synthesis of organic molecules, molecular self-replication, self-assembly, autocatalysis, and the emergence of cell membranes. Many proposals have been made for different stages of the process. The study of abiogenesis aims to determine how pre-life chemical reactions gave rise to life under conditions strikingly different from those on Earth today. It primarily uses tools from biology and chemistry, with more recent approaches attempting a synthesis of many sciences. Life functions through the specialized chemistry of carbon and ...
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Systems Chemistry
Systems chemistry is the science of studying networks 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). Relations to systems biology Systems chemistry is a relatively young sub-discipline of chemistry, 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 and systems science. Examples Dynamic combinatorial chemistry has been used as a method to develop ligands for biomolecules and receptors for small molecules. Ligands that can recognize biomolecules are being identified by preparing libraries of potential ligands in the presence of a target b ...
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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: their composition, structure, properties, behavior and the changes they undergo during a Chemical reaction, reaction with other Chemical substance, substances. Chemistry also addresses the nature of chemical bonds in chemical compounds. In the scope of its subject, chemistry occupies an intermediate position between physics and biology. It is sometimes called the central science because it provides a foundation for understanding both Basic research, basic and Applied science, applied scientific disciplines at a fundamental level. For example, chemistry explains aspects of plant growth (botany), the formation of igneous rocks (geology), how atmospheric ozone is formed and how environmental pollutants are degraded (ecology), the properties ...
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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 systems, using a holistic approach (holism instead of the more traditional reductionist, reductionism) to biological research. Particularly from the year 2000 onwards, the concept has been used widely in biology in a variety of contexts. The Human Genome Project is an example of applied systems thinking in biology which has led to new, collaborative ways of working on problems in the biological field of genetics. One of the aims of systems biology is to model and discover emergent property, emergent properties, properties of cell (biology), cells, tissue (biology), tissues and organisms functioning as a system whose theoretical description is only possible using techniques of systems biology. These typically involve metabolic networks or cell ...
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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.; Timmer, B. J. J.; Ramström, O. Principles of Dynamic Covalent Chemistry. In ''Dynamic Covalent Chemistry: Principles, Reactions, and Applications''; Zhang, W.; Jin, Y., Eds.; John Wiley & Sons: Chichester, 2018; Chapter 1, pp 1–30. The library of these reversibly interconverting building blocks is called a dynamic combinatorial library (DCL).Komáromy, D.; Nowak, P.; Otto, S. Dynamic Combinatorial Libraries. In ''Dynamic Covalent Chemistry: Principles, Reactions, and Applications''; Zhang, W.; Jin, Y., Eds.; John Wiley & Sons: Chichester, 2018; Chapter 2, pp 31–119.Lehn, J.-M.; Ramström, O. Generation and screening of a dynamic combinatorial library. PCT. Int. Appl. WO 20010164605, 2001. All constituents in a DCL are in equilibrium, and ...
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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 electron pairs, often through Lewis bases. The nature of metal–ligand bonding can range from covalent to ionic. Furthermore, the metal–ligand bond order can range from one to three. Ligands are viewed as Lewis bases, although rare cases are known to involve Lewis acidic "ligands". Metals and metalloids are bound to ligands in almost all circumstances, although gaseous "naked" metal ions can be generated in a high vacuum. Ligands in a complex dictate the reactivity of the central atom, including ligand substitution rates, the reactivity of the ligands themselves, and redox. Ligand selection requires critical consideration in many practical areas, including bioinorganic and medicinal chemistry, homogeneous catalysis, and environmental chemi ...
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Self Assembly
Self-assembly is a process in which a disordered system of pre-existing components forms an organized structure or pattern as a consequence of specific, local interactions among the components themselves, without external direction. When the constitutive components are molecules, the process is termed molecular self-assembly. Self-assembly can be classified as either static or dynamic. In ''static'' self-assembly, the ordered state forms as a system approaches equilibrium, reducing its free energy. However, in ''dynamic'' self-assembly, patterns of pre-existing components organized by specific local interactions are not commonly described as "self-assembled" by scientists in the associated disciplines. These structures are better described as "self-organized", although these terms are often used interchangeably. Self-assembly in chemistry and materials science Self-assembly in the classic sense can be defined as ''the spontaneous and reversible organization of molecu ...
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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 pressure. It also provides a necessary condition for processes such as chemical reactions that may occur under these conditions. The Gibbs free energy change , measured in joules in SI) is the ''maximum'' amount of non-expansion work that can be extracted from a closed system (one that can exchange heat and work with its surroundings, but not matter) at fixed temperature and pressure. This maximum can be attained only in a completely reversible process. When a system transforms reversibly from an initial state to a final state under these conditions, the decrease in Gibbs free energy equals the work done by the system to its surroundings, minus the work of the pressure forces. The Gibbs energy is the thermodynamic potential that is minim ...
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Homeostasis
In biology, homeostasis (British English, British also homoeostasis) Help:IPA/English, (/hɒmɪə(ʊ)ˈsteɪsɪs/) is the state of steady internal, physics, physical, and chemistry, chemical conditions maintained by organism, living systems. This is the condition of optimal functioning for the organism and includes many variables, such as body temperature and fluid balance, being kept within certain pre-set limits (homeostatic range). Other variables include the pH of extracellular fluid, the concentrations of sodium, potassium and calcium ions, as well as that of the blood sugar level, and these need to be regulated despite changes in the environment, diet, or level of activity. Each of these variables is controlled by one or more regulators or homeostatic mechanisms, which together maintain life. Homeostasis is brought about by a natural resistance to change when already in the optimal conditions, and equilibrium is maintained by many regulatory mechanisms: it is thought to be ...
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Complex Network
In the context of network theory, a complex network is a graph (network) with non-trivial topological features—features that do not occur in simple networks such as lattices or random graphs but often occur in networks representing real systems. The study of complex networks is a young and active area of scientific research (since 2000) inspired largely by empirical findings of real-world networks such as computer networks, biological networks, technological networks, brain networks, climate networks and social networks. Definition Most social, biological, and technological networks display substantial non-trivial topological features, with patterns of connection between their elements that are neither purely regular nor purely random. Such features include a heavy tail in the degree distribution, a high clustering coefficient, assortativity or disassortativity among vertices, community structure, and hierarchical structure. In the case of directed networks these feat ...
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