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NMR Spectra Database
A nuclear magnetic resonance spectra database is an electronic repository of information concerning Nuclear magnetic resonance (NMR) spectra. Such repositories can be downloaded as self-contained data sets or used online. The form in which the data is stored varies, ranging from line lists that can be graphically displayed to raw free induction decay (FID) data. Data is usually annotated in a way that correlates the spectral data with the related molecular structure. Data format Line list The form in which most NMR is described in literature papers. It is common for databases to display line lists graphically in a manner that is similar to how processed spectra might appear. These line list however lack first and higher order splitting, satellites from low abundance isotopes like carbon or platinum, as well as the information concerning line width and other informative aspects of line shape. The advantage of a line list is that it requires a minimal amount of memory. ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Database
In computing, a database is an organized collection of data or a type of data store based on the use of a database management system (DBMS), the software that interacts with end users, applications, and the database itself to capture and analyze the data. The DBMS additionally encompasses the core facilities provided to administer the database. The sum total of the database, the DBMS and the associated applications can be referred to as a database system. Often the term "database" is also used loosely to refer to any of the DBMS, the database system or an application associated with the database. Before digital storage and retrieval of data have become widespread, index cards were used for data storage in a wide range of applications and environments: in the home to record and store recipes, shopping lists, contact information and other organizational data; in business to record presentation notes, project research and notes, and contact information; in schools as flash c ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
ChemSpider
ChemSpider is a freely accessible online chemical database, database of chemicals owned by the Royal Society of Chemistry. It contains information on more than 100 million molecules from over 270 data sources, each of them receiving a unique identifier called ChemSpider Identifier. Sources The database sources include: Professional databases * EPA DSSTox * Food and Drug Administration (United States), U.S. Food and Drug Administration (FDA) * Human Metabolome Database * Journal of Heterocyclic Chemistry * KEGG * KUMGM * LeadScope * LIPID MAPS, LipidMAPS * Marinlit * MDPI * MICAD * MLSMR * MMDB * MOLI * MTDP * Nanogen * Nature Chemical Biology * NCGC * NIAID * National Institutes of Health (NIH) * NINDS Approved Drug Screening Program * NIST * NIST Chemistry WebBook * NMMLSC * NMRShiftDB * PANACHE * PCMD * PDSP * Peptides (journal), Peptides * Prous Science Drugs of the Future * QSAR * R&D Chemicals * San Diego Center for Chemical Genomics * SGCOxCompounds, SGCStoCompounds ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Chemical Database
A chemical database is a database specifically designed to store chemical information. This information is about chemical and crystal structures, spectra, reactions and syntheses, and thermophysical data. Types of chemical databases Bioactivity database Bioactivity databases correlate structures or other chemical information to bioactivity results taken from bioassays in literature, patents, and screening programs. Chemical structures Chemical structures are traditionally represented using lines indicating chemical bonds between atoms and drawn on paper (2D structural formulae). While these are ideal visual representations for the chemist, they are unsuitable for computational use and especially for search and storage. Small molecules (also called ligands in drug design applications), are usually represented using lists of atoms and their connections. Large molecules such as proteins are however more compactly represented using the sequences of their amino acid bui ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Mass Spec
Mass spectrometry (MS) is an analytical technique that is used to measure the mass-to-charge ratio of ions. The results are presented as a ''mass spectrum'', a plot of intensity as a function of the mass-to-charge ratio. Mass spectrometry is used in many different fields and is applied to pure samples as well as complex mixtures. A mass spectrum is a type of plot of the ion signal as a function of the mass-to-charge ratio. These spectra are used to determine the elemental or isotopic signature of a sample, the masses of particles and of molecules, and to elucidate the chemical identity or structure of molecules and other chemical compounds. In a typical MS procedure, a sample, which may be solid, liquid, or gaseous, is ionized, for example by bombarding it with a beam of electrons. This may cause some of the sample's molecules to break up into positively charged fragments or simply become positively charged without fragmenting. These ions (fragments) are then separated according ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Electron Paramagnetic Resonance
Electron paramagnetic resonance (EPR) or electron spin resonance (ESR) spectroscopy is a method for studying materials that have unpaired electrons. The basic concepts of EPR are analogous to those of nuclear magnetic resonance (NMR), but the spins excited are those of the electrons instead of the atomic nuclei. EPR spectroscopy is particularly useful for studying metal complexes and organic radicals. EPR was first observed in Kazan State University by Soviet physicist Yevgeny Zavoisky in 1944, and was developed independently at the same time by Brebis Bleaney at the University of Oxford. Theory Origin of an EPR signal Every electron has a magnetic moment and spin quantum number s = \tfrac , with magnetic components m_\mathrm = + \tfrac or m_\mathrm = - \tfrac . In the presence of an external magnetic field with strength B_\mathrm , the electron's magnetic moment aligns itself either antiparallel ( m_\mathrm = - \tfrac ) or parallel ( m_\mathrm = + \tfrac ) to the fie ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Raman Spectroscopy
Raman spectroscopy () (named after physicist C. V. Raman) is a Spectroscopy, spectroscopic technique typically used to determine vibrational modes of molecules, although rotational and other low-frequency modes of systems may also be observed. Raman spectroscopy is commonly used in chemistry to provide a structural fingerprint by which molecules can be identified. Raman spectroscopy relies upon inelastic scattering of photons, known as Raman scattering. A source of monochromatic light, usually from a laser in the visible spectrum, visible, near infrared, or ultraviolet, near ultraviolet range is used, although X-ray Raman scattering, X-rays can also be used. The laser light interacts with molecular vibrations, phonons or other excitations in the system, resulting in the energy of the laser photons being shifted up or down. The shift in energy gives information about the vibrational modes in the system. Time-resolved spectroscopy and infrared spectroscopy typically yields similar y ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
FT-IR
Fourier transform infrared spectroscopy (FTIR) is a technique used to obtain an infrared spectrum of absorption or emission of a solid, liquid, or gas. An FTIR spectrometer simultaneously collects high-resolution spectral data over a wide spectral range. This confers a significant advantage over a dispersive spectrometer, which measures intensity over a narrow range of wavelengths at a time. The term ''Fourier transform infrared spectroscopy'' originates from the fact that a Fourier transform (a mathematical process) is required to convert the raw data into the actual spectrum. Conceptual introduction The goal of absorption spectroscopy techniques (FTIR, ultraviolet-visible ("UV-vis") spectroscopy, etc.) is to measure how much light a sample absorbs at each wavelength. The most straightforward way to do this, the "dispersive spectroscopy" technique, is to shine a monochromatic light beam at a sample, measure how much of the light is absorbed, and repeat for each different w ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
National Institute Of Advanced Industrial Science And Technology
The , or AIST, is a Japanese research facility headquartered in Tokyo, and most of the workforce is located in Tsukuba Science City, Ibaraki, and in several cities throughout Japan. The institute is managed to integrate scientific and engineering knowledge to address socio-economic needs. It became a newly designed legal body of Independent Administrative Institution in 2001, remaining under the Ministry of Economy, Trade and Industry. History In its present form AIST was established in 2001. However, its predecessor institutes have been operating since 1882. In 2015, it is running more than 40 researching institutes and several branches over Japan including International Metrology Cooperation Office. Three missions of AIST * Advanced Research by exploring broad spectra of research fields and integrating multidisciplinary subjects to promote innovation in versatile fields that strengthen the competitiveness of Japanese industries in the world market and create new industr ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Spectral Database For Organic Compounds
The Spectral Database for Organic Compounds (SDBS) is a free online searchable database hosted by the National Institute of Advanced Industrial Science and Technology (AIST) in Japan, that contains spectral data for ca 34,000 organic molecules. The database is available in English and in Japanese and it includes six types of spectra: laser Raman spectra, electron ionization mass spectra (EI-MS), Fourier-transform infrared (FT-IR) spectra, 1H nuclear magnetic resonance (1H-NMR) spectra, 13C nuclear magnetic resonance (13C-NMR) spectra and electron paramagnetic resonance (EPR) spectra. The construction of the database started in 1982. Most of the spectra were acquired and recorded in AIST and some of the collections are still being updated. Since 1997, the database can be accessed free of charge, but its use requires agreeing to a disclaimer; the total accumulated number of times accessed reached 550 million by the end of January, 2015. Content Laser Raman spectra The database c ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
STN International
FIZ Karlsruhe — Leibniz Institute for Information Infrastructure, formerly Fachinformationszentrum Karlsruhe, is a not-for-profit company with the public mission to make sci-tech information from all over the world publicly available and to provide related services in order to support the national and international transfer of knowledge and the promotion of innovation. The service institution is member of Gottfried Wilhelm Leibniz Scientific Community, a union of German research institutes. The institute provides information services and infrastructure for the academic and research community and maintains a collection of scientific databases. Business areas: # STN International, the online service for sci-tech research and patent information, offers a wide array of databases, the FIZ AutoDoc full-text delivery service, and retrieval, analysis, and visualization functions. STN is developed and operated by FIZ Karlsruhe in cooperation with CAS (Chemical Abstracts Service, Columb ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Compound Search
Compound may refer to: Architecture and built environments * Compound (enclosure), a cluster of buildings having a shared purpose, usually inside a fence or wall ** Compound (fortification), a version of the above fortified with defensive structures * Compound (migrant labour), a hostel for migrant workers such as those historically connected with mines in South Africa * The Compound, an area of Palm Bay, Florida, US * Komboni or compound, a type of slum in Zambia Government and law * Composition (fine), a legal procedure in use after the English Civil War ** Committee for Compounding with Delinquents, an English Civil War institution that allowed Parliament to compound the estates of Royalists * Compounding treason, an offence under the common law of England * Compounding a felony, a previous offense under the common law of England Linguistics * Compound (linguistics), a word that consists of more than one radical element * Compound sentence (linguistics), a type of sentence ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
BASF
BASF SE (), an initialism of its original name , is a European Multinational corporation, multinational company and the List of largest chemical producers, largest chemical producer in the world. Its headquarters are located in Ludwigshafen, Germany. BASF comprises subsidiary, subsidiaries and joint ventures in more than 80 countries, operating six integrated production sites and 390 other production sites across Europe, Asia, Australia, the Americas and Africa. BASF has customers in over 190 countries and supplies products to a wide variety of industries. Despite its size and global presence, BASF has received relatively little public attention since it abandoned the manufacture and sale of BASF-branded consumer electronics products in the 1990s. The company began as a dye manufacturer in 1865. Fritz Haber worked with Carl Bosch, one of its employees, to invent the Haber-Bosch, Haber-Bosch process by 1912, after which the company grew rapidly. In 1925, the company merged with ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
