Speciality chemicalsSpeciality chemicals (also called specialties or effect chemicals) are particular chemical products which provide a wide variety of effects on which many other industry sectors rely. Some of the categories of speciality chemicals are adhesives, agrichemicals, cleaning materials, colors, cosmetic additives, construction chemicals, elastomers, flavors, food additives, fragrances, industrial gases, lubricants, paints, polymers, surfactants, and textile auxiliaries.
Metabolic networkA metabolic network is the complete set of metabolic and physical processes that determine the physiological and biochemical properties of a cell. As such, these networks comprise the chemical reactions of metabolism, the metabolic pathways, as well as the regulatory interactions that guide these reactions. With the sequencing of complete genomes, it is now possible to reconstruct the network of biochemical reactions in many organisms, from bacteria to human.
Computational chemistryComputational chemistry is a branch of chemistry that uses computer simulation to assist in solving chemical problems. It uses methods of theoretical chemistry, incorporated into computer programs, to calculate the structures and properties of molecules, groups of molecules, and solids. It is essential because, apart from relatively recent results concerning the hydrogen molecular ion (dihydrogen cation, see references therein for more details), the quantum many-body problem cannot be solved analytically, much less in closed form.
Computational engineeringComputational Engineering is an emerging discipline that deals with the development and application of computational models for engineering, known as Computational Engineering Models or CEM. At this time, various different approaches are summarized under the term Computational Engineering, including using computational geometry and virtual design for engineering tasks, often coupled with a simulation-driven approach In Computational Engineering, algorithms solve mathematical and logical models that describe engineering challenges, sometimes coupled with some aspect of AI, specifically Reinforcement Learning.
Transformation matrixIn linear algebra, linear transformations can be represented by matrices. If is a linear transformation mapping to and is a column vector with entries, then for some matrix , called the transformation matrix of . Note that has rows and columns, whereas the transformation is from to . There are alternative expressions of transformation matrices involving row vectors that are preferred by some authors. Matrices allow arbitrary linear transformations to be displayed in a consistent format, suitable for computation.
GlycolysisGlycolysis is the metabolic pathway that converts glucose () into pyruvate, and in most organisms, occurs in the liquid part of cells, the cytosol. The free energy released in this process is used to form the high-energy molecules adenosine triphosphate (ATP) and reduced nicotinamide adenine dinucleotide (NADH). Glycolysis is a sequence of ten reactions catalyzed by enzymes. The wide occurrence of glycolysis in other species indicates that it is an ancient metabolic pathway.
Transformation (function)In mathematics, a transformation is a function f, usually with some geometrical underpinning, that maps a set X to itself, i.e. f: X → X. Examples include linear transformations of vector spaces and geometric transformations, which include projective transformations, affine transformations, and specific affine transformations, such as rotations, reflections and translations.
Flux balance analysisFlux balance analysis (FBA) is a mathematical method for simulating metabolism in genome-scale reconstructions of metabolic networks. In comparison to traditional methods of modeling, FBA is less intensive in terms of the input data required for constructing the model. Simulations performed using FBA are computationally inexpensive and can calculate steady-state metabolic fluxes for large models (over 2000 reactions) in a few seconds on modern personal computers.
Commodity chemicalsCommodity chemicals (or bulk commodities or bulk chemicals) are a group of chemicals that are made on a very large scale to satisfy global markets. The average prices of commodity chemicals are regularly published in the chemical trade magazines and web sites such as Chemical Week and ICIS. There have been several studies of the scale and complexity of this market for example in the USA. Commodity chemicals are a sub-sector of the chemical industry (other sub sectors are fine chemicals, specialty chemicals, inorganic chemicals, petrochemicals, pharmaceuticals, renewable energy (e.
Chemical industryThe chemical industry comprises the companies that develop and produce industrial, specialty and other chemicals. Central to the modern world economy, it converts raw materials (oil, natural gas, air, water, metals, and minerals) into industrial and consumer products. The plastics industry contains some overlap, as some chemical companies produce plastics as well as chemicals. Various professionals are involved in the chemical industry including chemical engineers, chemists and lab technicians.
