The Jmol applet, among other abilities, offers an alternative to the Chime plug-in, no longer under active development. While Jmol has many features that Chime lacks, it does not claim to reproduce all Chime functions, most notably, the Sculpt mode. Chime requires plug-in installation and Internet Explorer 6.0 or Firefox 2.0 on Microsoft Windows, or Netscape Communicator 4.8 on Mac OS 9. Jmol operates on a wide variety of platforms. For example, Jmol is functional in Mozilla Firefox, Internet Explorer, Google Chrome, Safari. Chemistry Development Kit Comparison of software for molecular mechanics modeling Jmol extension for MediaWiki List of molecular graphics systems Molecular graphics Molecule editor Proteopedia PyMOL SAMSON Official website Wiki with listings of websites and moodles Willighagen, Egon. "Fast and Scriptable Molecular Graphics in Web Browsers without Java3D". Doi:10.1038/npre.2007.50.1
The density, or more the volumetric mass density, of a substance is its mass per unit volume. The symbol most used for density is ρ, although the Latin letter D can be used. Mathematically, density is defined as mass divided by volume: ρ = m V where ρ is the density, m is the mass, V is the volume. In some cases, density is loosely defined as its weight per unit volume, although this is scientifically inaccurate – this quantity is more called specific weight. For a pure substance the density has the same numerical value as its mass concentration. Different materials have different densities, density may be relevant to buoyancy and packaging. Osmium and iridium are the densest known elements at standard conditions for temperature and pressure but certain chemical compounds may be denser. To simplify comparisons of density across different systems of units, it is sometimes replaced by the dimensionless quantity "relative density" or "specific gravity", i.e. the ratio of the density of the material to that of a standard material water.
Thus a relative density less than one means. The density of a material varies with pressure; this variation is small for solids and liquids but much greater for gases. Increasing the pressure on an object decreases the volume of the object and thus increases its density. Increasing the temperature of a substance decreases its density by increasing its volume. In most materials, heating the bottom of a fluid results in convection of the heat from the bottom to the top, due to the decrease in the density of the heated fluid; this causes it to rise relative to more dense unheated material. The reciprocal of the density of a substance is called its specific volume, a term sometimes used in thermodynamics. Density is an intensive property in that increasing the amount of a substance does not increase its density. In a well-known but apocryphal tale, Archimedes was given the task of determining whether King Hiero's goldsmith was embezzling gold during the manufacture of a golden wreath dedicated to the gods and replacing it with another, cheaper alloy.
Archimedes knew that the irregularly shaped wreath could be crushed into a cube whose volume could be calculated and compared with the mass. Baffled, Archimedes is said to have taken an immersion bath and observed from the rise of the water upon entering that he could calculate the volume of the gold wreath through the displacement of the water. Upon this discovery, he leapt from his bath and ran naked through the streets shouting, "Eureka! Eureka!". As a result, the term "eureka" entered common parlance and is used today to indicate a moment of enlightenment; the story first appeared in written form in Vitruvius' books of architecture, two centuries after it took place. Some scholars have doubted the accuracy of this tale, saying among other things that the method would have required precise measurements that would have been difficult to make at the time. From the equation for density, mass density has units of mass divided by volume; as there are many units of mass and volume covering many different magnitudes there are a large number of units for mass density in use.
The SI unit of kilogram per cubic metre and the cgs unit of gram per cubic centimetre are the most used units for density. One g/cm3 is equal to one thousand kg/m3. One cubic centimetre is equal to one millilitre. In industry, other larger or smaller units of mass and or volume are more practical and US customary units may be used. See below for a list of some of the most common units of density. A number of techniques as well as standards exist for the measurement of density of materials; such techniques include the use of a hydrometer, Hydrostatic balance, immersed body method, air comparison pycnometer, oscillating densitometer, as well as pour and tap. However, each individual method or technique measures different types of density, therefore it is necessary to have an understanding of the type of density being measured as well as the type of material in question; the density at all points of a homogeneous object equals its total mass divided by its total volume. The mass is measured with a scale or balance.
To determine the density of a liquid or a gas, a hydrometer, a dasymeter or a Coriolis flow meter may be used, respectively. Hydrostatic weighing uses the displacement of water due to a submerged object to determine the density of the object. If the body is not homogeneous its density varies between different regions of the object. In that case the density around any given location is determined by calculating the density of a small volume around that location. In the limit of an infinitesimal volume the density of an inhomogeneous object at a point becomes: ρ = d m / d V, where d V is an elementary volume at position r; the mass of the body t
Ink is a liquid or paste that contains pigments or dyes and is used to color a surface to produce an image, text, or design. Ink is used for writing with a pen, brush, or quill. Thicker inks, in paste form, are used extensively in lithographic printing. Ink can be a complex medium, composed of solvents, dyes, lubricants, surfactants, particulate matter and other materials; the components of inks serve many purposes. In 2011 worldwide consumption of printing inks generated revenues of more than 20 billion US dollars. Demand by traditional print media is shrinking, on the other hand more and more printing inks are consumed for packagings. Many ancient cultures around the world have independently discovered and formulated inks for the purposes of writing and drawing; the knowledge of the inks, their recipes and the techniques for their production comes from archaeological analysis or from written text itself. Ink was used in Ancient Egypt for writing and drawing on papyrus from at least the 26th century BC.
The history of Chinese inks can be traced to the 23rd century BC, with the utilization of natural plant and mineral inks based on such materials as graphite that were ground with water and applied with ink brushes. Evidence for the earliest Chinese inks, similar to modern inksticks, is around 256 BC in the end of the Warring States period and produced from soot and animal glue; the best inks for drawing or painting on paper or silk are produced from the resin of the pine tree. They must be between 100 years old; the Chinese inkstick is produced with a fish glue, whereas Japanese glue is from stag. The process of making India ink was known in China as early as the middle of the 3rd millennium BC, during Neolithic China. India ink was first invented in China, although the source of materials to make the carbon pigment in India ink was often traded from India, thus the term India ink was coined; the traditional Chinese method of making the ink was to grind a mixture of hide glue, carbon black and bone black pigment with a pestle and mortar pouring it into a ceramic dish where it could dry.
To use the dry mixture, a wet brush would be applied. The manufacture of India ink was well-established by the Cao Wei Dynasty. Indian documents written in Kharosthi with ink have been unearthed in Chinese Turkestan; the practice of writing with ink and a sharp pointed needle was common in early South India. Several Buddhist and Jain sutras in India were compiled in ink. In ancient Rome, atramentum was used; the recipe was used for centuries. Iron salts, such as ferrous sulfate, were mixed with tannin from a thickener; when first put to paper, this ink is bluish-black. Over time it fades to a dull brown. Scribes in medieval Europe wrote principally on vellum. One 12th century ink recipe called for hawthorn branches to be left to dry; the bark was pounded from the branches and soaked in water for eight days. The water was boiled until it turned black. Wine was added during boiling; the ink was hung in the sun. Once dried, the mixture was mixed with iron salt over a fire to make the final ink; the reservoir pen, which may have been the first fountain pen, dates back to 953, when Ma'ād al-Mu'izz, the caliph of Egypt, demanded a pen that would not stain his hands or clothes, was provided with a pen that held ink in a reservoir.
In the 15th century, a new type of ink had to be developed in Europe for the printing press by Johannes Gutenberg. According to Martyn Lyons in his book Books: A Living History, Gutenberg's dye was indelible, oil-based, made from the soot of lamps mixed with varnish and egg white. Two types of ink were prevalent at the time: the Greek and Roman writing ink and the 12th century variety composed of ferrous sulfate, gall and water. Neither of these handwriting inks could adhere to printing surfaces without creating blurs. An oily, varnish-like ink made of soot and walnut oil was created for the printing press. Ink formulas vary, but involve two components: Colorants Vehicles Inks fall into four classes: Aqueous Liquid Paste Powder Pigment inks are used more than dyes because they are more color-fast, but they are more expensive, less consistent in color, have less of a color range than dyes. Pigments are solid, opaque particles suspended in ink to provide color. Pigment molecules link together in crystalline structures that are 0.1–2 µm in size and comprise 5–30 percent of the ink volume.
Qualities such as hue and lightness vary depending on the source and type of pigment. Dye-based inks are much stronger than pigment-based inks and can produce much more color of a given density per unit of mass. However, because dyes are dissolved in the liquid phase, they have a tendency to soak into paper, making the ink less efficient and allowing the ink to bleed at the edges of an image. To circumvent this problem, dye-based inks are made with solvents that dry or are used with quick-drying methods of printing, such as blowing hot air on the fresh print. Other methods include more specialized paper coatings; the latter is suited to inks us
European Chemicals Agency
The European Chemicals Agency is an agency of the European Union which manages the technical and administrative aspects of the implementation of the European Union regulation called Registration, Evaluation and Restriction of Chemicals. ECHA is the driving force among regulatory authorities in implementing the EU's chemicals legislation. ECHA helps companies to comply with the legislation, advances the safe use of chemicals, provides information on chemicals and addresses chemicals of concern, it is located in Finland. The agency headed by Executive Director Bjorn Hansen, started working on 1 June 2007; the REACH Regulation requires companies to provide information on the hazards and safe use of chemical substances that they manufacture or import. Companies register this information with ECHA and it is freely available on their website. So far, thousands of the most hazardous and the most used substances have been registered; the information is technical but gives detail on the impact of each chemical on people and the environment.
This gives European consumers the right to ask retailers whether the goods they buy contain dangerous substances. The Classification and Packaging Regulation introduces a globally harmonised system for classifying and labelling chemicals into the EU; this worldwide system makes it easier for workers and consumers to know the effects of chemicals and how to use products safely because the labels on products are now the same throughout the world. Companies need to notify ECHA of the labelling of their chemicals. So far, ECHA has received over 5 million notifications for more than 100 000 substances; the information is available on their website. Consumers can check chemicals in the products. Biocidal products include, for example, insect disinfectants used in hospitals; the Biocidal Products Regulation ensures that there is enough information about these products so that consumers can use them safely. ECHA is responsible for implementing the regulation; the law on Prior Informed Consent sets guidelines for the import of hazardous chemicals.
Through this mechanism, countries due to receive hazardous chemicals are informed in advance and have the possibility of rejecting their import. Substances that may have serious effects on human health and the environment are identified as Substances of Very High Concern 1; these are substances which cause cancer, mutation or are toxic to reproduction as well as substances which persist in the body or the environment and do not break down. Other substances considered. Companies manufacturing or importing articles containing these substances in a concentration above 0,1% weight of the article, have legal obligations, they are required to inform users about the presence of the substance and therefore how to use it safely. Consumers have the right to ask the retailer whether these substances are present in the products they buy. Once a substance has been identified in the EU as being of high concern, it will be added to a list; this list is available on ECHA's website and shows consumers and industry which chemicals are identified as SVHCs.
Substances placed on the Candidate List can move to another list. This means that, after a given date, companies will not be allowed to place the substance on the market or to use it, unless they have been given prior authorisation to do so by ECHA. One of the main aims of this listing process is to phase out SVHCs where possible. In its 2018 substance evaluation progress report, ECHA said chemical companies failed to provide “important safety information” in nearly three quarters of cases checked that year. "The numbers show a similar picture to previous years" the report said. The agency noted that member states need to develop risk management measures to control unsafe commercial use of chemicals in 71% of the substances checked. Executive Director Bjorn Hansen called non-compliance with REACH a "worry". Industry group CEFIC acknowledged the problem; the European Environmental Bureau called for faster enforcement to minimise chemical exposure. European Chemicals Bureau Official website
Simplified molecular-input line-entry system
The simplified molecular-input line-entry system is a specification in the form of a line notation for describing the structure of chemical species using short ASCII strings. SMILES strings can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the molecules; the original SMILES specification was initiated in the 1980s. It has since been extended. In 2007, an open standard called. Other linear notations include the Wiswesser line notation, ROSDAL, SYBYL Line Notation; the original SMILES specification was initiated by David Weininger at the USEPA Mid-Continent Ecology Division Laboratory in Duluth in the 1980s. Acknowledged for their parts in the early development were "Gilman Veith and Rose Russo and Albert Leo and Corwin Hansch for supporting the work, Arthur Weininger and Jeremy Scofield for assistance in programming the system." The Environmental Protection Agency funded the initial project to develop SMILES. It has since been modified and extended by others, most notably by Daylight Chemical Information Systems.
In 2007, an open standard called "OpenSMILES" was developed by the Blue Obelisk open-source chemistry community. Other'linear' notations include the Wiswesser Line Notation, ROSDAL and SLN. In July 2006, the IUPAC introduced the InChI as a standard for formula representation. SMILES is considered to have the advantage of being more human-readable than InChI; the term SMILES refers to a line notation for encoding molecular structures and specific instances should be called SMILES strings. However, the term SMILES is commonly used to refer to both a single SMILES string and a number of SMILES strings; the terms "canonical" and "isomeric" can lead to some confusion when applied to SMILES. The terms are not mutually exclusive. A number of valid SMILES strings can be written for a molecule. For example, CCO, OCC and CC all specify the structure of ethanol. Algorithms have been developed to generate the same SMILES string for a given molecule; this SMILES is unique for each structure, although dependent on the canonicalization algorithm used to generate it, is termed the canonical SMILES.
These algorithms first convert the SMILES to an internal representation of the molecular structure. Various algorithms for generating canonical SMILES have been developed and include those by Daylight Chemical Information Systems, OpenEye Scientific Software, MEDIT, Chemical Computing Group, MolSoft LLC, the Chemistry Development Kit. A common application of canonical SMILES is indexing and ensuring uniqueness of molecules in a database; the original paper that described the CANGEN algorithm claimed to generate unique SMILES strings for graphs representing molecules, but the algorithm fails for a number of simple cases and cannot be considered a correct method for representing a graph canonically. There is no systematic comparison across commercial software to test if such flaws exist in those packages. SMILES notation allows the specification of configuration at tetrahedral centers, double bond geometry; these are structural features that cannot be specified by connectivity alone and SMILES which encode this information are termed isomeric SMILES.
A notable feature of these rules is. The term isomeric SMILES is applied to SMILES in which isotopes are specified. In terms of a graph-based computational procedure, SMILES is a string obtained by printing the symbol nodes encountered in a depth-first tree traversal of a chemical graph; the chemical graph is first trimmed to remove hydrogen atoms and cycles are broken to turn it into a spanning tree. Where cycles have been broken, numeric suffix labels are included to indicate the connected nodes. Parentheses are used to indicate points of branching on the tree; the resultant SMILES form depends on the choices: of the bonds chosen to break cycles, of the starting atom used for the depth-first traversal, of the order in which branches are listed when encountered. Atoms are represented by the standard abbreviation of the chemical elements, in square brackets, such as for gold. Brackets may be omitted in the common case of atoms which: are in the "organic subset" of B, C, N, O, P, S, F, Cl, Br, or I, have no formal charge, have the number of hydrogens attached implied by the SMILES valence model, are the normal isotopes, are not chiral centers.
All other elements must be enclosed in brackets, have charges and hydrogens shown explicitly. For instance, the SMILES for water may be written as either O or. Hydrogen may be written as a separate atom; when brackets are used, the symbol H is added if the atom in brackets is bonded to one or more hydrogen, followed by the number of hydrogen atoms if greater than 1 by the sign + for a positive charge or by - for a negative charge. For example, for ammonium. If there is more than one charge, it is written as digit.
Plastic is material consisting of any of a wide range of synthetic or semi-synthetic organic compounds that are malleable and so can be molded into solid objects. Plasticity is the general property of all materials which can deform irreversibly without breaking but, in the class of moldable polymers, this occurs to such a degree that their actual name derives from this specific ability. Plastics are organic polymers of high molecular mass and contain other substances, they are synthetic, most derived from petrochemicals, however, an array of variants are made from renewable materials such as polylactic acid from corn or cellulosics from cotton linters. Due to their low cost, ease of manufacture and imperviousness to water, plastics are used in a multitude of products of different scale, including paper clips and spacecraft, they have prevailed over traditional materials, such as wood, stone and bone, metal and ceramic, in some products left to natural materials. In developed economies, about a third of plastic is used in packaging and the same in buildings in applications such as piping, plumbing or vinyl siding.
Other uses include automobiles and toys. In the developing world, the applications of plastic may differ—42% of India's consumption is used in packaging. Plastics have many uses in the medical field as well, with the introduction of polymer implants and other medical devices derived at least from plastic; the field of plastic surgery is not named for use of plastic materials, but rather the meaning of the word plasticity, with regard to the reshaping of flesh. The world's first synthetic plastic was bakelite, invented in New York in 1907 by Leo Baekeland who coined the term'plastics'. Many chemists have contributed to the materials science of plastics, including Nobel laureate Hermann Staudinger, called "the father of polymer chemistry" and Herman Mark, known as "the father of polymer physics"; the success and dominance of plastics starting in the early 20th century led to environmental concerns regarding its slow decomposition rate after being discarded as trash due to its composition of large molecules.
Toward the end of the century, one approach to this problem was met with wide efforts toward recycling. The word plastic derives from the Greek πλαστικός meaning "capable of being shaped or molded" and, in turn, from πλαστός meaning "molded"; the plasticity, or malleability, of the material during manufacture allows it to be cast, pressed, or extruded into a variety of shapes, such as: films, plates, bottles, amongst many others. The common noun plastic should not be confused with the technical adjective plastic; the adjective is applicable to any material which undergoes a plastic deformation, or permanent change of shape, when strained beyond a certain point. For example, aluminum, stamped or forged exhibits plasticity in this sense, but is not plastic in the common sense. By contrast, some plastics will, in their finished forms, break before deforming and therefore are not plastic in the technical sense. Most plastics contain organic polymers; the vast majority of these polymers are formed from chains of carbon atoms,'pure' or with the addition of: oxygen, nitrogen, or sulfur.
The chains comprise many repeat units, formed from monomers. Each polymer chain will have several thousand repeating units; the backbone is the part of the chain, on the "main path", linking together a large number of repeat units. To customize the properties of a plastic, different molecular groups "hang" from this backbone; these pendant units are "hung" on the monomers, before the monomers themselves are linked together to form the polymer chain. It is the structure of these side chains; the molecular structure of the repeating unit can be fine tuned to influence specific properties in the polymer. Plastics are classified by: the chemical structure of the polymer's backbone and side chains. Plastics can be classified by: the chemical process used in their synthesis, such as: condensation and cross-linking. Plastics can be classified by: their various physical properties, such as: hardness, tensile strength, resistance to heat and glass transition temperature, by their chemical properties, such as the organic chemistry of the polymer and its resistance and reaction to various chemical products and processes, such as: organic solvents and ionizing radiation.
In particular, most plastics will melt upon heating to a few hundred degrees celsius. Other classifications are based on qualities that are relevant for product design. Examples of such qualities and classes are: thermoplastics and thermosets, conductive polymers, biodegradable plastics and engineering plastics and other plastics with particular structures, such as elastomers. One important classification of plastics is by the permanence or impermanence of their form, or whether they are: thermoplastics or thermosetting polymers. Thermoplastics are the plastics that, when heated, do not undergo chemical change in their composition and so can be molded again and again. Examples include: polyethylene, polypropylene and polyvinyl chloride. Common thermoplastics range from 20,000 to 500,000 amu, while thermosets are assumed to have infinite molecular weight. Thermosets, or thermosetting polymers, can melt and take shape only once: after they have solidified, they stay solid. In the thermosetting process, a chemical reaction occurs, irreversible.
Acrylate polymers are a group of polymers noted for their transparency, resistance to breakage, elasticity. They are commonly known as acrylics or polyacrylates. Acrylate polymer is used in cosmetics such as nail polish as an adhesive. Acrylate monomers, used to form acrylate polymers, are based on the structure of acrylic acid, which consists of a vinyl group and a carboxylic acid ester terminus or a nitrile. Other typical acrylate monomers are derivatives of acrylic acid, such as methyl methacrylate in which one vinyl hydrogen and the carboxylic acid hydrogen are both replaced by methyl groups, acrylonitrile in which the carboxylic acid group is replaced by the related nitrile group. Other examples of acrylate monomers are: Methacrylates Methyl acrylate Ethyl acrylate 2-Chloroethyl vinyl ether 2-Ethylhexyl acrylate Hydroxyethyl methacrylate Butyl acrylate Butyl methacrylate TMPTA Acrylic elastomer is a general term for a type of synthetic rubber whose main component is acrylic acid alkylester.
Acrylic elastomer has characteristics of oil resistance. It is divided into old type and new type: Old types include ACM containing chlorine and ANM without chloride. Other than the better water resistance of ANM, there are no physical differences. Since prices are high, demand is not so high vis-à-vis the characteristics. On the other hand, the new type of acrylic rubber does not contain any chlorine despite its unclear chemical composition. Processability has been improved. Major characteristics of acrylic rubber include oil resistance. Since it does not have a double bond, acrylic rubber boasts of good weatherability and ozone resistance, its cold resistance is not that good, however. The saturation point is − − 28... − 30 ℃ for the new type. In terms of vulcanization, the standard method for the old type is amine vulcanization. To minimize permanent deformation, the old type requires curing for 24 hours at a temperature of 150 ℃. On the other hand, for the new type, the press curing time and follow-up vulcanization time are reduced by combining metal soap and sulfur.
It has no special characteristics. The rebound resilience and abrasion resistance of the new type are poor, its electrical characteristics are poor compared with acrylonitrile-butadiene rubber and butyl rubber; the materials are used for oil seals and packagings related to automobiles. Polymethyl methacrylate, is the clear break-resistant sheeting sold as acrylic glass or under the trade name Plexiglas, etc. Polyacrylate emulsion, water-borne coating, are used as binder for outdoor and indoor "latex" house paints. Acrylic paints as artist paints Acrylic fibre Sodium polyacrylate water-soluble thickeners, a polymer for the production of the Superabsorbent polymer used in disposable diapers due to its high absorbency per unit mass Acrylic resin as pressure-sensitive adhesive "Super glue" is a formulation of cyanoacrylate. PVAc copolymer emulsion adhesive of vinyl acetate and acrylic acid Polyacrylamide copolymer used as flocculation agent in water treatment acrylates Acrylic Dishmaker