The boiling point of a substance is the temperature at which the vapor pressure of a liquid equals the pressure surrounding the liquid and the liquid changes into a vapor. The boiling point of a liquid varies depending upon the surrounding environmental pressure. A liquid in a partial vacuum has a lower boiling point than when that liquid is at atmospheric pressure. A liquid at high pressure has a higher boiling point than when that liquid is at atmospheric pressure. For example, water at 93.4 °C at 1,905 metres altitude. For a given pressure, different liquids will boil at different temperatures; the normal boiling point of a liquid is the special case in which the vapor pressure of the liquid equals the defined atmospheric pressure at sea level, 1 atmosphere. At that temperature, the vapor pressure of the liquid becomes sufficient to overcome atmospheric pressure and allow bubbles of vapor to form inside the bulk of the liquid; the standard boiling point has been defined by IUPAC since 1982 as the temperature at which boiling occurs under a pressure of 1 bar.
The heat of vaporization is the energy required to transform a given quantity of a substance from a liquid into a gas at a given pressure. Liquids may change to a vapor at temperatures below their boiling points through the process of evaporation. Evaporation is a surface phenomenon in which molecules located near the liquid's edge, not contained by enough liquid pressure on that side, escape into the surroundings as vapor. On the other hand, boiling is a process in which molecules anywhere in the liquid escape, resulting in the formation of vapor bubbles within the liquid. A saturated liquid contains as much thermal energy. Saturation temperature means boiling point; the saturation temperature is the temperature for a corresponding saturation pressure at which a liquid boils into its vapor phase. The liquid can be said to be saturated with thermal energy. Any addition of thermal energy results in a phase transition. If the pressure in a system remains constant, a vapor at saturation temperature will begin to condense into its liquid phase as thermal energy is removed.
A liquid at saturation temperature and pressure will boil into its vapor phase as additional thermal energy is applied. The boiling point corresponds to the temperature at which the vapor pressure of the liquid equals the surrounding environmental pressure. Thus, the boiling point is dependent on the pressure. Boiling points may be published with respect to the NIST, USA standard pressure of 101.325 kPa, or the IUPAC standard pressure of 100.000 kPa. At higher elevations, where the atmospheric pressure is much lower, the boiling point is lower; the boiling point increases with increased pressure up to the critical point, where the gas and liquid properties become identical. The boiling point cannot be increased beyond the critical point; the boiling point decreases with decreasing pressure until the triple point is reached. The boiling point cannot be reduced below the triple point. If the heat of vaporization and the vapor pressure of a liquid at a certain temperature are known, the boiling point can be calculated by using the Clausius–Clapeyron equation, thus: T B = − 1, where: T B is the boiling point at the pressure of interest, R is the ideal gas constant, P is the vapour pressure of the liquid at the pressure of interest, P 0 is some pressure where the corresponding T 0 is known, Δ H vap is the heat of vaporization of the liquid, T 0 is the boiling temperature, ln is the natural logarithm.
Saturation pressure is the pressure for a corresponding saturation temperature at which a liquid boils into its vapor phase. Saturation pressure and saturation temperature have a direct relationship: as saturation pressure is increased, so is saturation temperature. If the temperature in a system remains constant, vapor at saturation pressure and temperature will begin to condense into its liquid phase as the system pressure is increased. A liquid at saturation pressure and temperature will tend to flash into its vapor phase as system pressure is decreased. There are two conventions regarding the standard boiling point of water: The normal boiling point is 99.97 °C at a pressure of 1 atm. The IUPAC recommended standard boiling point of water at a standard pressure of 100 kPa is 99.61 °C. For comparison, on top of Mount Everest, at 8,848 m elevation, the pressure is about 34 kPa and the boiling point of water is 71 °C; the Celsius temperature scale was defined until 1954 by two points: 0 °C being defined by the wate
Food and Drug Administration
The Food and Drug Administration is a federal agency of the United States Department of Health and Human Services, one of the United States federal executive departments. The FDA is responsible for protecting and promoting public health through the control and supervision of food safety, tobacco products, dietary supplements and over-the-counter pharmaceutical drugs, biopharmaceuticals, blood transfusions, medical devices, electromagnetic radiation emitting devices, animal foods & feed and veterinary products; as of 2017, 3/4th of the FDA budget is paid by people who consume pharmaceutical products, due to the Prescription Drug User Fee Act. The FDA was empowered by the United States Congress to enforce the Federal Food and Cosmetic Act, which serves as the primary focus for the Agency; these include regulating lasers, cellular phones and control of disease on products ranging from certain household pets to sperm donation for assisted reproduction. The FDA is led by the Commissioner of Food and Drugs, appointed by the President with the advice and consent of the Senate.
The Commissioner reports to the Secretary of Human Services. Scott Gottlieb, M. D. is the current commissioner, who took over in May 2017. The FDA has its headquarters in Maryland; the agency has 223 field offices and 13 laboratories located throughout the 50 states, the United States Virgin Islands, Puerto Rico. In 2008, the FDA began to post employees to foreign countries, including China, Costa Rica, Chile and the United Kingdom. In recent years, the agency began undertaking a large-scale effort to consolidate its 25 operations in the Washington metropolitan area, moving from its main headquarters in Rockville and several fragmented office buildings to the former site of the Naval Ordnance Laboratory in the White Oak area of Silver Spring, Maryland; the site was renamed from the White Oak Naval Surface Warfare Center to the Federal Research Center at White Oak. The first building, the Life Sciences Laboratory, was dedicated and opened with 104 employees on the campus in December 2003. Only one original building from the naval facility was kept.
All other buildings are new construction. The project is slated to be completed by 2021, assuming future Congressional funding While most of the Centers are located in the Washington, D. C. area as part of the Headquarters divisions, two offices – the Office of Regulatory Affairs and the Office of Criminal Investigations – are field offices with a workforce spread across the country. The Office of Regulatory Affairs is considered the "eyes and ears" of the agency, conducting the vast majority of the FDA's work in the field. Consumer Safety Officers, more called Investigators, are the individuals who inspect production and warehousing facilities, investigate complaints, illnesses, or outbreaks, review documentation in the case of medical devices, biological products, other items where it may be difficult to conduct a physical examination or take a physical sample of the product; the Office of Regulatory Affairs is divided into five regions, which are further divided into 20 districts. Districts are based on the geographic divisions of the federal court system.
Each district comprises a main district office and a number of Resident Posts, which are FDA remote offices that serve a particular geographic area. ORA includes the Agency's network of regulatory laboratories, which analyze any physical samples taken. Though samples are food-related, some laboratories are equipped to analyze drugs and radiation-emitting devices; the Office of Criminal Investigations was established in 1991 to investigate criminal cases. Unlike ORA Investigators, OCI Special Agents are armed, don't focus on technical aspects of the regulated industries. OCI agents pursue and develop cases where individuals and companies have committed criminal actions, such as fraudulent claims, or knowingly and willfully shipping known adulterated goods in interstate commerce. In many cases, OCI pursues cases involving Title 18 violations, in addition to prohibited acts as defined in Chapter III of the FD&C Act. OCI Special Agents come from other criminal investigations backgrounds, work with the Federal Bureau of Investigation, Assistant Attorney General, Interpol.
OCI receives cases from a variety of sources—including ORA, local agencies, the FBI—and works with ORA Investigators to help develop the technical and science-based aspects of a case. OCI is a smaller branch; the FDA works with other federal agencies, including the Department of Agriculture, Drug Enforcement Administration and Border Protection, Consumer Product Safety Commission. Local and state government agencies work with the FDA to provide regulatory inspections and enforcement action; the FDA regulates more than US$2.4 trillion worth of consumer goods, about 25% of consumer expenditures in the United States. This includes $466 billion in food sales, $275 billion in drugs, $60 billion in cosmetics and $18 billion in vitamin supplements. Much of these expenditures are for goods imported into the United States; the FDA's federal budget request for fiscal year 2012 totaled $4.36 billion, while the proposed 2014 budget is $4.7 billion. About $2 billion of this budget is generated by user fees.
Pharmaceutical firms pay th
The flash point of a volatile material is the lowest temperature at which vapours of the material will ignite, when given an ignition source. The flash point is sometimes confused with the autoignition temperature, the temperature that results in spontaneous autoignition; the fire point is the lowest temperature at which vapors of the material will keep burning after the ignition source is removed. The fire point is higher than the flash point, because at the flash point more vapor may not be produced enough to sustain combustion. Neither flash point nor fire point depends directly on the ignition source temperature, but ignition source temperature is far higher than either the flash or fire point; the flash point is a descriptive characteristic, used to distinguish between flammable fuels, such as petrol, combustible fuels, such as diesel. It is used to characterize the fire hazards of fuels. Fuels which have a flash point less than 37.8 °C are called flammable, whereas fuels having a flash point above that temperature are called combustible.
All liquids have a specific vapor pressure, a function of that liquid's temperature and is subject to Boyle's Law. As temperature increases, vapor pressure increases; as vapor pressure increases, the concentration of vapor of a flammable or combustible liquid in the air increases. Hence, temperature determines the concentration of vapor of the flammable liquid in the air. A certain concentration of a flammable or combustible vapor is necessary to sustain combustion in air, the lower flammable limit, that concentration is different and is specific to each flammable or combustible liquid; the flash point is the lowest temperature at which there will be enough flammable vapor to induce ignition when an ignition source is applied There are two basic types of flash point measurement: open cup and closed cup. In open cup devices, the sample is contained in an open cup, heated and, at intervals, a flame brought over the surface; the measured flash point will vary with the height of the flame above the liquid surface and, at sufficient height, the measured flash point temperature will coincide with the fire point.
The best-known example is the Cleveland open cup. There are two types of closed cup testers: non-equilibrial, such as Pensky-Martens, where the vapours above the liquid are not in temperature equilibrium with the liquid, equilibrial, such as Small Scale, where the vapours are deemed to be in temperature equilibrium with the liquid. In both these types, the cups are sealed with a lid through which the ignition source can be introduced. Closed cup testers give lower values for the flash point than open cup and are a better approximation to the temperature at which the vapour pressure reaches the lower flammable limit; the flash point is an empirical measurement rather than a fundamental physical parameter. The measured value will vary with equipment and test protocol variations, including temperature ramp rate, time allowed for the sample to equilibrate, sample volume and whether the sample is stirred. Methods for determining the flash point of a liquid are specified in many standards. For example, testing by the Pensky-Martens closed cup method is detailed in ASTM D93, IP34, ISO 2719, DIN 51758, JIS K2265 and AFNOR M07-019.
Determination of flash point by the Small Scale closed cup method is detailed in ASTM D3828 and D3278, EN ISO 3679 and 3680, IP 523 and 524. CEN/TR 15138 Guide to Flash Point Testing and ISO TR 29662 Guidance for Flash Point Testing cover the key aspects of flash point testing. Gasoline is a fuel used in a spark-ignition engine; the fuel is mixed with air within its flammable limits and heated by compression and subject to Boyle's Law above its flash point ignited by the spark plug. To ignite, the fuel must have a low flash point, but in order to avoid preignition caused by residual heat in a hot combustion chamber, the fuel must have a high autoignition temperature. Diesel fuel flash points vary between 52 and 96 °C. Diesel is suitable for use in a compression-ignition engine. Air is compressed until it has been heated above the autoignition temperature of the fuel, injected as a high-pressure spray, keeping the fuel–air mix within flammable limits. In a diesel-fueled engine, there is no ignition source.
Diesel fuel must have a high flash point and a low autoignition temperature. Jet fuel flash points vary with the composition of the fuel. Both Jet A and Jet A-1 have flash points between 38 and 66 °C, close to that of off-the-shelf kerosene, yet both Jet B and JP-4 have flash points between −23 and −1 °C. Flash points of substances are measured according to standard test methods described and defined in a 1938 publication by T. L. Ainsley of South Shields entitled "Sea Transport of Petroleum"; the test methodology defines the apparatus required to carry out the measurement, key test parameters, the procedure for the operator or automated apparatus to follow, the precision of the test method. Standard test methods are written and controlled by a number of national and international committees and organizations; the three main bodies are the CEN / ISO Joint Working Group on Flash Point, ASTM D02.8B Flammability Section and the Energy Institute's TMS SC-B-4 Flammability Panel. Autoignition temperature Fire point Safety data sheet
Animal feed is food given to domestic animals in the course of animal husbandry. There are two basic types: forage. Used alone, the word "feed" more refers to fodder. "Fodder" refers to foods or forages given to the animals, rather than that which they forage for themselves. It includes hay, silage and pelleted feeds and mixed rations, sprouted grains and legumes. Feed grains are the most important source of animal feed globally; the amount of grain used to produce the same unit of meat varies substantially. According to an estimate reported by the BBC in 2008, "Cows and sheep need 8kg of grain for every 1kg of meat they produce, pigs about 4kg; the most efficient poultry units need a mere 1.6kg of feed to produce 1kg of chicken." Farmed fish can be fed on grain, use less than poultry. The two most important feed grains are maize and soybean, the United States is by far the largest exporter of both, averaging about half of the global maize trade and 40% of the global soya trade in the years leading up the 2012 drought.
Other feed grains include wheat, oats and rice, among many others. Traditional sources of animal feed include household food scraps and the byproducts of food processing industries such as milling and brewing. Material remaining from milling oil crops like peanuts and corn are important sources of fodder. Scraps fed to pigs are called slop, those fed to chicken are called chicken scratch. Brewer's spent grain is a byproduct of beer making, used as animal feed. Compound feed is fodder, blended from various raw materials and additives; these blends are formulated according to the specific requirements of the target animal. They pellets or crumbles; the main ingredients used in commercially prepared feed are the feed grains, which include corn, sorghum and barley. Compound feed may include premixes, which may be sold separately. Premixes are composed of microingredients such as vitamins, chemical preservatives, fermentation products, other essential ingredients that are purchased from premix companies in sacked form, for blending into commercial rations.
Because of the availability of these products, a farmer who uses his own grain can formulate his own rations and be assured his animals are getting the recommended levels of minerals and vitamins. According to the American Feed Industry Association, as much as $20 billion worth of feed ingredients are purchased each year; these products range from grain mixes to orange rinds to beet pulps. The feed industry is one of the most competitive businesses in the agricultural sector, is by far the largest purchaser of U. S. corn, feed grains, soybean meal. Tens of thousands of farmers with feed mills on their own farms are able to compete with huge conglomerates with national distribution. Feed crops generated $23.2 billion in cash receipts on U. S. farms in 2001. At the same time, farmers spent a total of $24.5 billion on feed that year. In 2011, around 734.5 million tons of feed were produced annually around the world. The beginning of industrial-scale production of animal feeds can be traced back to the late 19th century, around the time advances in human and animal nutrition were able to identify the benefits of a balanced diet, the importance of the role processing of certain raw materials played.
Corn gluten feed was first manufactured in 1882, while leading world feed producer Purina Feeds was established in 1894 by William Hollington Danforth. Cargill, dealing in grains from its beginnings in 1865, started to deal in feed at about 1884; the feed industry expanded in the first quarter of the 20th century, with Purina expanding its operations into Canada, opened its first feed mill in 1927. In 1928, the feed industry was revolutionized by the introduction of the first pelleted feeds - Purina Checkers. "Forage" is plant material eaten by grazing livestock. The term forage has meant only plants eaten by the animals directly as pasture, crop residue, or immature cereal crops, but it is used more loosely to include similar plants cut for fodder and carried to the animals as hay or silage. In agriculture today, the nutritional needs of farm animals are well understood and may be satisfied through natural forage and fodder alone, or augmented by direct supplementation of nutrients in concentrated, controlled form.
The nutritional quality of feed is influenced not only by the nutrient content, but by many other factors such as feed presentation, hygiene and effect on intestinal health. Feed additives provide a mechanism through which these nutrient deficiencies can be resolved effect the rate of growth of such animals and their health and well-being. With all the benefits of higher quality feed, most of a farm animal's diet still consists of grain-based ingredients because of the higher costs of quality feed. Bird feed Cat food Cattle feeding Dog food Equine nutrition Pet food Pig farming Poultry feed Sheep husbandry Appetein Chelates in animal nutrition Factory farming FEFANA Predation Food safety Hammermill Pellet mill Animal feed legislation and guidance Animal Feed and Ingredients Glossary FAO Feed Safety guidelines Feed - Biosecurity Guide Infographic: A look at the global feed production 2012
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
The Merck Index is an encyclopedia of chemicals and biologicals with over 10,000 monographs on single substances or groups of related compounds published online by the Royal Society of Chemistry. The first edition of the Merck's Index was published in 1889 by the German chemical company Emanuel Merck and was used as a sales catalog for Merck's growing list of chemicals it sold; the American subsidiary was established two years and continued to publish it. During World War I the US government seized Merck's US operations and made it a separate American "Merck" company that continued to publish the Merck Index. In 2012 the Merck Index was licensed to the Royal Society of Chemistry. An online version of The Merck Index, including historic records and new updates not in the print edition, is available through research libraries, it includes an appendix with monographs on organic named reactions. The current edition is the 15th, published in April 2013. Monographs in The Merck Index contain: a CAS registry number synonyms of the substance, such as trivial names and International Union of Pure and Applied Chemistry nomenclature a chemical formula molecular weight percent composition a structural formula a description of the substance's appearance melting point and boiling point solubility in solvents used in the laboratory citations to other literature regarding the compound's chemical synthesis a therapeutic category, if applicable caution and hazard information 1st - first edition released by E.
Merck 2nd - second edition released by Merck's American subsidiary and added medicines from the United States Pharmacopeia and National Formulary 3rd 4th 5th 6th 7th - first named editor is Merck chemist Paul G. Stecher. 8th - editor Paul G. Stecher 9th - editor Martha Windholz, a Merck chemist. 10th, ISBN 0-911910-27-1 - editor Martha Windholz. In 1984 the Index became available online as well as printed. 11th, ISBN 0-911910-28-X 12th, ISBN 0-911910-12-3 - editor Susan Budavari, a Merck chemist. 13th, ISBN 0-911910-13-1 - editor Maryadele O'Neil, senior editor at Merck. 14th, ISBN 978-0-911910-00-1 - editor Maryadele O'Neil 15th, ISBN 978-1-84973670-1 - editor Maryadele O'Neil, first edition under the Royal Society of Chemistry. List of academic databases and search engines The Merck Manual of Diagnosis and Therapy The Merck Veterinary Manual Home Health and Pet Health 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.