Publication
O-17 NMR and Density Functional Theory Study of the Dynamics of the Carboxylate Groups in DOTA Complexes of Lanthanides in Aqueous Solution
Related concepts (32)
Nuclear magnetic resonance spectroscopy of proteins
Nuclear magnetic resonance spectroscopy of proteins (usually abbreviated protein NMR) is a field of structural biology in which NMR spectroscopy is used to obtain information about the structure and dynamics of proteins, and also nucleic acids, and their complexes. The field was pioneered by Richard R. Ernst and Kurt Wüthrich at the ETH, and by Ad Bax, Marius Clore, Angela Gronenborn at the NIH, and Gerhard Wagner at Harvard University, among others.
Temperature
Temperature is a physical quantity that expresses quantitatively the perceptions of hotness and coldness. Temperature is measured with a thermometer. Thermometers are calibrated in various temperature scales that historically have relied on various reference points and thermometric substances for definition. The most common scales are the Celsius scale with the unit symbol °C (formerly called centigrade), the Fahrenheit scale (°F), and the Kelvin scale (K), the latter being used predominantly for scientific purposes.
Two-dimensional nuclear magnetic resonance spectroscopy
Two-dimensional nuclear magnetic resonance spectroscopy (2D NMR) is a set of nuclear magnetic resonance spectroscopy (NMR) methods which give data plotted in a space defined by two frequency axes rather than one. Types of 2D NMR include correlation spectroscopy (COSY), J-spectroscopy, exchange spectroscopy (EXSY), and nuclear Overhauser effect spectroscopy (NOESY). Two-dimensional NMR spectra provide more information about a molecule than one-dimensional NMR spectra and are especially useful in determining the structure of a molecule, particularly for molecules that are too complicated to work with using one-dimensional NMR.
Room temperature
Colloquially, room temperature is a range of air temperatures that most people prefer for indoor settings. These temperatures feel comfortable to people wearing typical indoor clothing. Human comfort can extend beyond this range depending on humidity, air circulation and other factors. In certain fields, like science and engineering, and within a particular context, room temperature can mean different agreed-upon ranges. In contrast, ambient temperature is the actual temperature, as measured by a thermometer, of the air (or other medium and surroundings) in any particular place.
Scale of temperature
Scale of temperature is a methodology of calibrating the physical quantity temperature in metrology. Empirical scales measure temperature in relation to convenient and stable parameters or reference points, such as the freezing and boiling point of water. Absolute temperature is based on thermodynamic principles: using the lowest possible temperature as the zero point, and selecting a convenient incremental unit. Celsius, Kelvin, and Fahrenheit are common temperature scales.
Oxygen-17
Oxygen-17 (17O) is a low-abundance, natural, stable isotope of oxygen (0.0373% in seawater; approximately twice as abundant as deuterium). As the only stable isotope of oxygen possessing a nuclear spin (+5/2) and a favorable characteristic of field-independent relaxation in liquid water, 17O enables NMR studies of oxidative metabolic pathways through compounds containing 17O (i.e. metabolically produced H217O water by oxidative phosphorylation in mitochondria) at high magnetic fields.
Thermometer
A thermometer is a device that measures temperature or a temperature gradient (the degree of hotness or coldness of an object). A thermometer has two important elements: (1) a temperature sensor (e.g. the bulb of a mercury-in-glass thermometer or the pyrometric sensor in an infrared thermometer) in which some change occurs with a change in temperature; and (2) some means of converting this change into a numerical value (e.g. the visible scale that is marked on a mercury-in-glass thermometer or the digital readout on an infrared model).
Metal–organic framework
Metal–organic frameworks (MOFs) are a class of compounds consisting of metal clusters (also known as SBUs) coordinated to organic ligands to form one-, two-, or three-dimensional structures. The organic ligands included are sometimes referred to as "struts" or "linkers", one example being 1,4-benzenedicarboxylic acid (BDC). More formally, a metal–organic framework is an organic-inorganic porous extended structure. An extended structure is a structure whose sub-units occur in a constant ratio and are arranged in a repeating pattern.
Metal aquo complex
In chemistry, metal aquo complexes are coordination compounds containing metal ions with only water as a ligand. These complexes are the predominant species in aqueous solutions of many metal salts, such as metal nitrates, sulfates, and perchlorates. They have the general stoichiometry . Their behavior underpins many aspects of environmental, biological, and industrial chemistry. This article focuses on complexes where water is the only ligand ("homoleptic aquo complexes"), but of course many complexes are known to consist of a mix of aquo and other ligands.
Transition state
In chemistry, the transition state of a chemical reaction is a particular configuration along the reaction coordinate. It is defined as the state corresponding to the highest potential energy along this reaction coordinate. It is often marked with the double dagger ‡ symbol. As an example, the transition state shown below occurs during the SN2 reaction of bromoethane with a hydroxide anion: The activated complex of a reaction can refer to either the transition state or to other states along the reaction coordinate between reactants and products, especially those close to the transition state.