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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 stored and accessed electronically. Small databases can be stored on a file system, while large databases are hosted on computer clusters or cloud storage. The design of databases spans formal techniques and practical considerations, including data modeling, efficient data representation and storage, query languages, security and privacy of sensitive data, and distributed computing issues, including supporting concurrent access and fault tolerance. A database management system (DBMS) is the software that interacts with end users, applications, and the database itself to capture and analyze the data. The DBMS software 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 appli ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Cologne University
The University of Cologne (german: Universität zu Köln) is a university in Cologne, Germany. It was established in the year 1388 and is one of the most prestigious and research intensive universities in Germany. It was the sixth university to be established in Central Europe. It closed in 1798 before being re-established in 1919. It is now one of the largest universities in Germany with more than 48,000 students. The University of Cologne was a university of excellence as part of the German Universities Excellence Initiative from 2012 to 2019. As of 2021, 3 Nobel Prize winners have been affiliated with the university. Professors and former students have won 11 Leibniz Prizes, the most prestigious as well as the best-funded prize in Europe. History 1388–1798 The university of Cologne was established in 1388 as the fourth university in the Holy Roman Empire, after the Charles University of Prague (1348), the University of Vienna (1365) and the Ruprecht Karl University of H ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
External Links
An internal link is a type of hyperlink on a web page to another page or resource, such as an image or document, on the same website or domain. Hyperlinks are considered either "external" or "internal" depending on their target or destination. Generally, a link to a page outside the same domain or website is considered external, whereas one that points at another section of the same web page or to another page of the same website or domain is considered internal. These definitions become clouded, however, when the same organization operates multiple domains functioning as a single web experience, e.g. when a secure commerce website is used for purchasing things displayed on a non-secure website. In these cases, links that are "external" by the above definition can conceivably be classified as "internal" for some purposes. Ultimately, an internal link points to a web page or resource in the same root directory. Similarly, seemingly "internal" links are in fact "external" for ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
NMR Spectroscopy
Nuclear magnetic resonance spectroscopy, most commonly known as NMR spectroscopy or magnetic resonance spectroscopy (MRS), is a spectroscopic technique to observe local magnetic fields around atomic nuclei. The sample is placed in a magnetic field and the NMR signal is produced by excitation of the nuclei sample with radio waves into nuclear magnetic resonance, which is detected with sensitive radio receivers. The intramolecular magnetic field around an atom in a molecule changes the resonance frequency, thus giving access to details of the electronic structure of a molecule and its individual functional groups. As the fields are unique or highly characteristic to individual compounds, in modern organic chemistry practice, NMR spectroscopy is the definitive method to identify monomolecular organic compounds. The principle of NMR usually involves three sequential steps: # The alignment (polarization) of the magnetic nuclear spins in an applied, constant magnetic field B0. # The ... [...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 buildin ... [...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 Indian physicist C. V. Raman) is a 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, near infrared, or near ultraviolet range is used, although 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. Infrared spectroscopy typically yields similar yet complementary information. Typically, a sample is illuminated with a laser beam. Electr ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
FT-IR
Fourier-transform infrared spectroscopy (FTIR) is a technique used to obtain an infrared Electromagnetic spectrum, spectrum of Absorption (electromagnetic radiation), absorption or Emission (electromagnetic radiation), 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 Dispersion (optics), 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 spectroscopy, 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 "dispe ... [...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 industries. ... [...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 co ... [...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, Columbus ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
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