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Chemical Graph
In chemical graph theory and in mathematical chemistry, a molecular graph or chemical graph is a representation of the structural formula of a chemical compound in terms of graph theory. A chemical graph is a labeled graph whose vertices correspond to the atoms of the compound and edges correspond to chemical bonds. Its vertices are labeled with the kinds of the corresponding atoms and edges are labeled with the types of bonds. For particular purposes any of the labelings may be ignored. A hydrogen-depleted molecular graph or hydrogen-suppressed molecular graph is the molecular graph with hydrogen vertices deleted. In some important cases (topological index calculation etc.) the following classical definition is sufficient: a molecular graph is a connected, undirected graph which admits a one-to-one correspondence with the structural formula of a chemical compound in which the vertices of the graph correspond to atoms of the molecule and edges of the graph correspond to chemica ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Caffeine Structure
Caffeine is a central nervous system (CNS) stimulant of the methylxanthine class. It is mainly used recreationally as a cognitive enhancer, increasing alertness and attentional performance. Caffeine acts by blocking binding of adenosine to the adenosine A1 receptor, which enhances release of the neurotransmitter acetylcholine. Caffeine has a three-dimensional structure similar to that of adenosine, which allows it to bind and block its receptors. Caffeine also increases cyclic AMP levels through nonselective inhibition of phosphodiesterase. Caffeine is a bitter, white crystalline purine, a methylxanthine alkaloid, and is chemically related to the adenine and guanine bases of deoxyribonucleic acid (DNA) and ribonucleic acid (RNA). It is found in the seeds, fruits, nuts, or leaves of a number of plants native to Africa, East Asia and South America, and helps to protect them against herbivores and from competition by preventing the germination of nearby seeds, as well as ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Philosophical Magazine
The ''Philosophical Magazine'' is one of the oldest scientific journals published in English. It was established by Alexander Tilloch in 1798;John Burnett"Tilloch, Alexander (1759–1825)" Oxford Dictionary of National Biography, Oxford University Press, Sept 2004; online edn, May 2006, accessed 17 Feb 2010 in 1822 Richard Taylor became joint editor and it has been published continuously by Taylor & Francis ever since. Early history The name of the journal dates from a period when "natural philosophy" embraced all aspects of science. The very first paper published in the journal carried the title "Account of Mr Cartwright's Patent Steam Engine". Other articles in the first volume include "Methods of discovering whether Wine has been adulterated with any Metals prejudicial to Health" and "Description of the Apparatus used by Lavoisier to produce Water from its component Parts, Oxygen and Hydrogen". 19th century Early in the nineteenth century, classic papers by Humphry Davy, ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Mathematical Chemistry
Mathematical chemistry is the area of research engaged in novel applications of mathematics to chemistry; it concerns itself principally with the mathematical modeling of chemical phenomena. Mathematical chemistry has also sometimes been called computer chemistry, but should not be confused with computational chemistry. Major areas of research in mathematical chemistry include chemical graph theory, which deals with topology such as the mathematical study of isomerism and the development of topological descriptors or indices which find application in quantitative structure-property relationships; and chemical aspects of group theory, which finds applications in stereochemistry and quantum chemistry. Another important area is molecular knot theory and circuit topology that describe the topology of folded linear molecules such as proteins and Nucleic Acids. The history of the approach may be traced back to the 19th century. Georg Helm published a treatise titled "The Principle ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Theoretical Chemistry
Theoretical chemistry is the branch of chemistry which develops theoretical generalizations that are part of the theoretical arsenal of modern chemistry: for example, the concepts of chemical bonding, chemical reaction, valence, the surface of potential energy, molecular orbitals, orbital interactions, and molecule activation. Overview Theoretical chemistry unites principles and concepts common to all branches of chemistry. Within the framework of theoretical chemistry, there is a systematization of chemical laws, principles and rules, their refinement and detailing, the construction of a hierarchy. The central place in theoretical chemistry is occupied by the doctrine of the interconnection of the structure and properties of molecular systems. It uses mathematical and physical methods to explain the structures and dynamics of chemical systems and to correlate, understand, and predict their thermodynamic and kinetic properties. In the most general sense, it is explanation of ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Chemical Graph Generator
A chemical graph generator is a software package to generate computer representations of chemical structures adhering to certain boundary conditions. The development of such software packages is a research topic of cheminformatics. Chemical graph generators are used in areas such as virtual library generation in drug design, in molecular design with specified properties, called inverse QSAR/QSPR, as well as in organic synthesis design, retrosynthesis or in systems for computer-assisted structure elucidation (CASE). CASE systems again have regained interest for the structure elucidation of unknowns in computational metabolomics, a current area of computational biology. History Molecular structure generation is a branch of graph generation problems. Molecular structures are graphs with chemical constraints such as valences, bond multiplicity and fragments. These generators are the core of CASE systems. In a generator, the molecular formula is the basic input. If fragments ar ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
William Higgins (chemist)
William Higgins (1763 – June 1825), an Irish chemist, was one of the early proponents of atomic theory. Known mainly for his speculative ideas on chemical combination, William Higgins is popular for the insights his life offers into the emergence of chemistry as a career during the British Industrial Revolution. Despite an evident charm, his erratic behaviour and tendency to indulge personal animosities prevented him from engaging the affections of London society. Instead he found refuge in a succession of government-supported chemical positions in Dublin. Thanks to the combination of such scientific opportunities with family resources, he became a very wealthy man. Early years Higgins was born in Collooney, County Sligo, Ireland, and came from a well-known medical family. William was the second child and younger son of Thomas Higgins, a physician educated at the University of Edinburgh. William’s uncle Bryan Higgins was also an eminent chemist. When William was a boy ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
William Cullen
William Cullen FRS FRSE FRCPE FPSG (; 15 April 17105 February 1790) was a Scottish physician, chemist and agriculturalist, and professor at the Edinburgh Medical School. Cullen was a central figure in the Scottish Enlightenment: He was David Hume's physician, and was friends with Joseph Black, Henry Home, Adam Ferguson, John Millar, and Adam Smith, among others. He was President of the Royal College of Physicians and Surgeons of Glasgow (1746–47), President of the Royal College of Physicians of Edinburgh (1773–1775) and First Physician to the King in Scotland (1773–1790). He also assisted in obtaining a royal charter for the Philosophical Society of Edinburgh, resulting in the formation of the Royal Society of Edinburgh in 1783. Cullen was a beloved teacher, and many of his students became influential figures. He kept in contact with many of his students, including Benjamin Rush, a central figure in the founding of the United States of America; John Morgan, w ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Gravity
In physics, gravity () is a fundamental interaction which causes mutual attraction between all things with mass or energy. Gravity is, by far, the weakest of the four fundamental interactions, approximately 1038 times weaker than the strong interaction, 1036 times weaker than the electromagnetic force and 1029 times weaker than the weak interaction. As a result, it has no significant influence at the level of subatomic particles. However, gravity is the most significant interaction between objects at the macroscopic scale, and it determines the motion of planets, stars, galaxies, and even light. On Earth, gravity gives weight to physical objects, and the Moon's gravity is responsible for sublunar tides in the oceans (the corresponding antipodal tide is caused by the inertia of the Earth and Moon orbiting one another). Gravity also has many important biological functions, helping to guide the growth of plants through the process of gravitropism and influencing the circulati ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Isaac Newton
Sir Isaac Newton (25 December 1642 – 20 March 1726/27) was an English mathematician, physicist, astronomer, alchemist, theologian, and author (described in his time as a "natural philosopher"), widely recognised as one of the greatest mathematicians and physicists and among the most influential scientists of all time. He was a key figure in the philosophical revolution known as the Enlightenment. His book (''Mathematical Principles of Natural Philosophy''), first published in 1687, established classical mechanics. Newton also made seminal contributions to optics, and shares credit with German mathematician Gottfried Wilhelm Leibniz for developing infinitesimal calculus. In the , Newton formulated the laws of motion and universal gravitation that formed the dominant scientific viewpoint for centuries until it was superseded by the theory of relativity. Newton used his mathematical description of gravity to derive Kepler's laws of planetary motion, account for ti ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Isomer
In chemistry, isomers are molecules or polyatomic ions with identical molecular formulae – that is, same number of atoms of each element – but distinct arrangements of atoms in space. Isomerism is existence or possibility of isomers. Isomers do not necessarily share similar chemical or physical properties. Two main forms of isomerism are structural or constitutional isomerism, in which '' bonds'' between the atoms differ; and stereoisomerism or spatial isomerism, in which the bonds are the same but the ''relative positions'' of the atoms differ. Isomeric relationships form a hierarchy. Two chemicals might be the same constitutional isomer, but upon deeper analysis be stereoisomers of each other. Two molecules that are the same stereoisomer as each other might be in different conformational forms or be different isotopologues. The depth of analysis depends on the field of study or the chemical and physical properties of interest. The English word "isomer" () is a back- ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Oxford University Press
Oxford University Press (OUP) is the university press of the University of Oxford. It is the largest university press in the world, and its printing history dates back to the 1480s. Having been officially granted the legal right to print books by decree in 1586, it is the second oldest university press after Cambridge University Press. It is a department of the University of Oxford and is governed by a group of 15 academics known as the Delegates of the Press, who are appointed by the Vice Chancellor, vice-chancellor of the University of Oxford. The Delegates of the Press are led by the Secretary to the Delegates, who serves as OUP's chief executive and as its major representative on other university bodies. Oxford University Press has had a similar governance structure since the 17th century. The press is located on Walton Street, Oxford, Walton Street, Oxford, opposite Somerville College, Oxford, Somerville College, in the inner suburb of Jericho, Oxford, Jericho. For the las ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
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