Spectroscopic method of measuring the magnetic moment of elementary particles such as atomic nuclei, protons or electrons. It is employed in clinical applications such as NMR Tomography (MAGNETIC RESONANCE IMAGING).
Non-invasive method of demonstrating internal anatomy based on the principle that atomic nuclei in a strong magnetic field absorb pulses of radiofrequency energy and emit them as radiowaves which can be reconstructed into computerized images. The concept includes proton spin tomographic techniques.
NMR spectroscopy on small- to medium-size biological macromolecules. This is often used for structural investigation of proteins and nucleic acids, and often involves more than one isotope.
Non-invasive method of vascular imaging and determination of internal anatomy without injection of contrast media or radiation exposure. The technique is used especially in CEREBRAL ANGIOGRAPHY as well as for studies of other vascular structures.
A type of imaging technique used primarily in the field of cardiology. By coordinating the fast gradient-echo MRI sequence with retrospective ECG-gating, numerous short time frames evenly spaced in the cardiac cycle are produced. These images are laced together in a cinematic display so that wall motion of the ventricles, valve motion, and blood flow patterns in the heart and great vessels can be visualized.
Models used experimentally or theoretically to study molecular shape, electronic properties, or interactions; includes analogous molecules, computer-generated graphics, and mechanical structures.
The characteristic 3-dimensional shape of a protein, including the secondary, supersecondary (motifs), tertiary (domains) and quaternary structure of the peptide chain. PROTEIN STRUCTURE, QUATERNARY describes the conformation assumed by multimeric proteins (aggregates of more than one polypeptide chain).
Stable elementary particles having the smallest known positive charge, found in the nuclei of all elements. The proton mass is less than that of a neutron. A proton is the nucleus of the light hydrogen atom, i.e., the hydrogen ion.
The characteristic three-dimensional shape of a molecule.
Stable carbon atoms that have the same atomic number as the element carbon, but differ in atomic weight. C-13 is a stable carbon isotope.
The homogeneous mixtures formed by the mixing of a solid, liquid, or gaseous substance (solute) with a liquid (the solvent), from which the dissolved substances can be recovered by physical processes. (From Grant & Hackh's Chemical Dictionary, 5th ed)
A biosensing technique in which biomolecules capable of binding to specific analytes or ligands are first immobilized on one side of a metallic film. Light is then focused on the opposite side of the film to excite the surface plasmons, that is, the oscillations of free electrons propagating along the film's surface. The refractive index of light reflecting off this surface is measured. When the immobilized biomolecules are bound by their ligands, an alteration in surface plasmons on the opposite side of the film is created which is directly proportional to the change in bound, or adsorbed, mass. Binding is measured by changes in the refractive index. The technique is used to study biomolecular interactions, such as antigen-antibody binding.
An endogenous substance found mainly in skeletal muscle of vertebrates. It has been tried in the treatment of cardiac disorders and has been added to cardioplegic solutions. (Reynolds JEF(Ed): Martindale: The Extra Pharmacopoeia (electronic version). Micromedex, Inc, Englewood, CO, 1996)
The part of CENTRAL NERVOUS SYSTEM that is contained within the skull (CRANIUM). Arising from the NEURAL TUBE, the embryonic brain is comprised of three major parts including PROSENCEPHALON (the forebrain); MESENCEPHALON (the midbrain); and RHOMBENCEPHALON (the hindbrain). The developed brain consists of CEREBRUM; CEREBELLUM; and other structures in the BRAIN STEM.
Substances used to allow enhanced visualization of tissues.
A clear, odorless, tasteless liquid that is essential for most animal and plant life and is an excellent solvent for many substances. The chemical formula is hydrogen oxide (H2O). (McGraw-Hill Dictionary of Scientific and Technical Terms, 4th ed)
A non-metal element that has the atomic symbol P, atomic number 15, and atomic weight 31. It is an essential element that takes part in a broad variety of biochemical reactions.
Any of a variety of procedures which use biomolecular probes to measure the presence or concentration of biological molecules, biological structures, microorganisms, etc., by translating a biochemical interaction at the probe surface into a quantifiable physical signal.
A nonmetallic, diatomic gas that is a trace element and member of the halogen family. It is used in dentistry as flouride (FLUORIDES) to prevent dental caries.
Theoretical representations that simulate the behavior or activity of chemical processes or phenomena; includes the use of mathematical equations, computers, and other electronic equipment.
Computer-based representation of physical systems and phenomena such as chemical processes.
Linear POLYPEPTIDES that are synthesized on RIBOSOMES and may be further modified, crosslinked, cleaved, or assembled into complex proteins with several subunits. The specific sequence of AMINO ACIDS determines the shape the polypeptide will take, during PROTEIN FOLDING, and the function of the protein.
Deuterium. The stable isotope of hydrogen. It has one neutron and one proton in the nucleus.
The normality of a solution with respect to HYDROGEN ions; H+. It is related to acidity measurements in most cases by pH = log 1/2[1/(H+)], where (H+) is the hydrogen ion concentration in gram equivalents per liter of solution. (McGraw-Hill Dictionary of Scientific and Technical Terms, 6th ed)
A diagnostic technique that incorporates the measurement of molecular diffusion (such as water or metabolites) for tissue assessment by MRI. The degree of molecular movement can be measured by changes of apparent diffusion coefficient (ADC) with time, as reflected by tissue microstructure. Diffusion MRI has been used to study BRAIN ISCHEMIA and tumor response to treatment.
A procedure consisting of a sequence of algebraic formulas and/or logical steps to calculate or determine a given task.
Gadolinium. An element of the rare earth family of metals. It has the atomic symbol Gd, atomic number 64, and atomic weight 157.25. Its oxide is used in the control rods of some nuclear reactors.
A complex of gadolinium with a chelating agent, diethylenetriamine penta-acetic acid (DTPA see PENTETIC ACID), that is given to enhance the image in cranial and spinal MRIs. (From Martindale, The Extra Pharmacopoeia, 30th ed, p706)
A rigorously mathematical analysis of energy relationships (heat, work, temperature, and equilibrium). It describes systems whose states are determined by thermal parameters, such as temperature, in addition to mechanical and electromagnetic parameters. (From Hawley's Condensed Chemical Dictionary, 12th ed)
The process in which substances, either endogenous or exogenous, bind to proteins, peptides, enzymes, protein precursors, or allied compounds. Specific protein-binding measures are often used as assays in diagnostic assessments.
A computer simulation developed to study the motion of molecules over a period of time.
Descriptions of specific amino acid, carbohydrate, or nucleotide sequences which have appeared in the published literature and/or are deposited in and maintained by databanks such as GENBANK, European Molecular Biology Laboratory (EMBL), National Biomedical Research Foundation (NBRF), or other sequence repositories.
The level of protein structure in which regular hydrogen-bond interactions within contiguous stretches of polypeptide chain give rise to alpha helices, beta strands (which align to form beta sheets) or other types of coils. This is the first folding level of protein conformation.
Liquids that dissolve other substances (solutes), generally solids, without any change in chemical composition, as, water containing sugar. (Grant & Hackh's Chemical Dictionary, 5th ed)
The parts of a macromolecule that directly participate in its specific combination with another molecule.
The location of the atoms, groups or ions relative to one another in a molecule, as well as the number, type and location of covalent bonds.
The order of amino acids as they occur in a polypeptide chain. This is referred to as the primary structure of proteins. It is of fundamental importance in determining PROTEIN CONFORMATION.
Imaging techniques used to colocalize sites of brain functions or physiological activity with brain structures.
Stable nitrogen atoms that have the same atomic number as the element nitrogen, but differ in atomic weight. N-15 is a stable nitrogen isotope.
An analytical method used in determining the identity of a chemical based on its mass using mass analyzers/mass spectrometers.
The rate dynamics in chemical or physical systems.
The statistical reproducibility of measurements (often in a clinical context), including the testing of instrumentation or techniques to obtain reproducible results. The concept includes reproducibility of physiological measurements, which may be used to develop rules to assess probability or prognosis, or response to a stimulus; reproducibility of occurrence of a condition; and reproducibility of experimental results.
A technique applicable to the wide variety of substances which exhibit paramagnetism because of the magnetic moments of unpaired electrons. The spectra are useful for detection and identification, for determination of electron structure, for study of interactions between molecules, and for measurement of nuclear spins and moments. (From McGraw-Hill Encyclopedia of Science and Technology, 7th edition) Electron nuclear double resonance (ENDOR) spectroscopy is a variant of the technique which can give enhanced resolution. Electron spin resonance analysis can now be used in vivo, including imaging applications such as MAGNETIC RESONANCE IMAGING.
The first chemical element in the periodic table. It has the atomic symbol H, atomic number 1, and atomic weight [1.00784; 1.00811]. It exists, under normal conditions, as a colorless, odorless, tasteless, diatomic gas. Hydrogen ions are PROTONS. Besides the common H1 isotope, hydrogen exists as the stable isotope DEUTERIUM and the unstable, radioactive isotope TRITIUM.
Polymers synthesized by living organisms. They play a role in the formation of macromolecular structures and are synthesized via the covalent linkage of biological molecules, especially AMINO ACIDS; NUCLEOTIDES; and CARBOHYDRATES.
Sequential operating programs and data which instruct the functioning of a digital computer.
A technique of inputting two-dimensional images into a computer and then enhancing or analyzing the imagery into a form that is more useful to the human observer.
Binary classification measures to assess test results. Sensitivity or recall rate is the proportion of true positives. Specificity is the probability of correctly determining the absence of a condition. (From Last, Dictionary of Epidemiology, 2d ed)
A type of FLUORESCENCE SPECTROSCOPY using two FLUORESCENT DYES with overlapping emission and absorption spectra, which is used to indicate proximity of labeled molecules. This technique is useful for studying interactions of molecules and PROTEIN FOLDING.
The accumulation of an electric charge on a object
A change from planar to elliptic polarization when an initially plane-polarized light wave traverses an optically active medium. (McGraw-Hill Dictionary of Scientific and Technical Terms, 4th ed)
The property of objects that determines the direction of heat flow when they are placed in direct thermal contact. The temperature is the energy of microscopic motions (vibrational and translational) of the particles of atoms.
Elements of limited time intervals, contributing to particular results or situations.
Methods developed to aid in the interpretation of ultrasound, radiographic images, etc., for diagnosis of disease.
Inorganic salts of phosphoric acid.
The level of protein structure in which combinations of secondary protein structures (alpha helices, beta sheets, loop regions, and motifs) pack together to form folded shapes called domains. Disulfide bridges between cysteines in two different parts of the polypeptide chain along with other interactions between the chains play a role in the formation and stabilization of tertiary structure. Small proteins usually consist of only one domain but larger proteins may contain a number of domains connected by segments of polypeptide chain which lack regular secondary structure.
The study of PHYSICAL PHENOMENA and PHYSICAL PROCESSES as applied to living things.
Improvement of the quality of a picture by various techniques, including computer processing, digital filtering, echocardiographic techniques, light and ultrastructural MICROSCOPY, fluorescence spectrometry and microscopy, scintigraphy, and in vitro image processing at the molecular level.
The systematic identification and quantitation of all the metabolic products of a cell, tissue, organ, or organism under varying conditions. The METABOLOME of a cell or organism is a dynamic collection of metabolites which represent its net response to current conditions.
A basic science concerned with the composition, structure, and properties of matter; and the reactions that occur between substances and the associated energy exchange.
Theoretical representations that simulate the behavior or activity of biological processes or diseases. For disease models in living animals, DISEASE MODELS, ANIMAL is available. Biological models include the use of mathematical equations, computers, and other electronic equipment.
The composition, conformation, and properties of atoms and molecules, and their reaction and interaction processes.
The process of generating three-dimensional images by electronic, photographic, or other methods. For example, three-dimensional images can be generated by assembling multiple tomographic images with the aid of a computer, while photographic 3-D images (HOLOGRAPHY) can be made by exposing film to the interference pattern created when two laser light sources shine on an object.
Members of the class of compounds composed of AMINO ACIDS joined together by peptide bonds between adjacent amino acids into linear, branched or cyclical structures. OLIGOPEPTIDES are composed of approximately 2-12 amino acids. Polypeptides are composed of approximately 13 or more amino acids. PROTEINS are linear polypeptides that are normally synthesized on RIBOSOMES.
Stable phosphorus atoms that have the same atomic number as the element phosphorus, but differ in atomic weight. P-31 is a stable phosphorus isotope.
Methods for determining interaction between PROTEINS.
Characteristics or attributes of the outer boundaries of objects, including molecules.
The tendency of a gas or solute to pass from a point of higher pressure or concentration to a point of lower pressure or concentration and to distribute itself throughout the available space. Diffusion, especially FACILITATED DIFFUSION, is a major mechanism of BIOLOGICAL TRANSPORT.
A low-energy attractive force between hydrogen and another element. It plays a major role in determining the properties of water, proteins, and other compounds.
The theory that the radiation and absorption of energy take place in definite quantities called quanta (E) which vary in size and are defined by the equation E=hv in which h is Planck's constant and v is the frequency of the radiation.
Minimally invasive procedures guided with the aid of magnetic resonance imaging to visualize tissue structures.
The development and use of techniques to study physical phenomena and construct structures in the nanoscale size range or smaller.
The sequence of carbohydrates within POLYSACCHARIDES; GLYCOPROTEINS; and GLYCOLIPIDS.
An element with atomic symbol O, atomic number 8, and atomic weight [15.99903; 15.99977]. It is the most abundant element on earth and essential for respiration.
Tomography using x-ray transmission and a computer algorithm to reconstruct the image.
Biological processes, properties, and characteristics of the whole organism in human, animal, microorganisms, and plants, and of the biosphere.
Spectrophotometry in the infrared region, usually for the purpose of chemical analysis through measurement of absorption spectra associated with rotational and vibrational energy levels of molecules. (McGraw-Hill Dictionary of Scientific and Technical Terms, 4th ed)
Analysis of the intensity of Raman scattering of monochromatic light as a function of frequency of the scattered light.
High molecular weight polymers containing a mixture of purine and pyrimidine nucleotides chained together by ribose or deoxyribose linkages.
The spatial arrangement of the atoms of a nucleic acid or polynucleotide that results in its characteristic 3-dimensional shape.
An amino acid that occurs in vertebrate tissues and in urine. In muscle tissue, creatine generally occurs as phosphocreatine. Creatine is excreted as CREATININE in the urine.
Processes involved in the formation of TERTIARY PROTEIN STRUCTURE.
Liquid chromatographic techniques which feature high inlet pressures, high sensitivity, and high speed.
A species of gram-negative, facultatively anaerobic, rod-shaped bacteria (GRAM-NEGATIVE FACULTATIVELY ANAEROBIC RODS) commonly found in the lower part of the intestine of warm-blooded animals. It is usually nonpathogenic, but some strains are known to produce DIARRHEA and pyogenic infections. Pathogenic strains (virotypes) are classified by their specific pathogenic mechanisms such as toxins (ENTEROTOXIGENIC ESCHERICHIA COLI), etc.
Layers of lipid molecules which are two molecules thick. Bilayer systems are frequently studied as models of biological membranes.
The physical characteristics and processes of biological systems.
A field of biology concerned with the development of techniques for the collection and manipulation of biological data, and the use of such data to make biological discoveries or predictions. This field encompasses all computational methods and theories for solving biological problems including manipulation of models and datasets.
Calcium and magnesium salts used therapeutically in hepatobiliary dysfunction.
The dynamic collection of metabolites which represent a cell's or organism's net metabolic response to current conditions.
A deoxyribonucleotide polymer that is the primary genetic material of all cells. Eukaryotic and prokaryotic organisms normally contain DNA in a double-stranded state, yet several important biological processes transiently involve single-stranded regions. DNA, which consists of a polysugar-phosphate backbone possessing projections of purines (adenine and guanine) and pyrimidines (thymine and cytosine), forms a double helix that is held together by hydrogen bonds between these purines and pyrimidines (adenine to thymine and guanine to cytosine).
A basic constituent of lecithin that is found in many plants and animal organs. It is important as a precursor of acetylcholine, as a methyl donor in various metabolic processes, and in lipid metabolism.
The measurement of the amplitude of the components of a complex waveform throughout the frequency range of the waveform. (McGraw-Hill Dictionary of Scientific and Technical Terms, 6th ed)
One of the non-essential amino acids commonly occurring in the L-form. It is found in animals and plants, especially in sugar cane and sugar beets. It may be a neurotransmitter.
The study of CHEMICAL PHENOMENA and processes in terms of the underlying PHYSICAL PHENOMENA and processes.
A 60-kDa extracellular protein of Streptomyces avidinii with four high-affinity biotin binding sites. Unlike AVIDIN, streptavidin has a near neutral isoelectric point and is free of carbohydrate side chains.
Non-invasive diagnostic technique for visualizing the PANCREATIC DUCTS and BILE DUCTS without the use of injected CONTRAST MEDIA or x-ray. MRI scans provide excellent sensitivity for duct dilatation, biliary stricture, and intraductal abnormalities.
Particles consisting of aggregates of molecules held loosely together by secondary bonds. The surface of micelles are usually comprised of amphiphatic compounds that are oriented in a way that minimizes the energy of interaction between the micelle and its environment. Liquids that contain large numbers of suspended micelles are referred to as EMULSIONS.
The characteristic 3-dimensional shape of a carbohydrate.
Materials which have structured components with at least one dimension in the range of 1 to 100 nanometers. These include NANOCOMPOSITES; NANOPARTICLES; NANOTUBES; and NANOWIRES.
An adenine nucleotide containing three phosphate groups esterified to the sugar moiety. In addition to its crucial roles in metabolism adenosine triphosphate is a neurotransmitter.
Organic compounds that generally contain an amino (-NH2) and a carboxyl (-COOH) group. Twenty alpha-amino acids are the subunits which are polymerized to form proteins.
The deductive study of shape, quantity, and dependence. (From McGraw-Hill Dictionary of Scientific and Technical Terms, 6th ed)
Physical motion, i.e., a change in position of a body or subject as a result of an external force. It is distinguished from MOVEMENT, a process resulting from biological activity.
Computers whose input, output and state transitions are carried out by biochemical interactions and reactions.
A group of elements that include SCANDIUM; YTTRIUM; and the LANTHANOID SERIES ELEMENTS. Historically, the rare earth metals got their name from the fact that they were never found in their pure elemental form, but as an oxide. In addition they were very difficult to purify. They are not truly rare and comprise about 25% of the metals in the earth's crust.
A normal intermediate in the fermentation (oxidation, metabolism) of sugar. The concentrated form is used internally to prevent gastrointestinal fermentation. (From Stedman, 26th ed)
A molecule that binds to another molecule, used especially to refer to a small molecule that binds specifically to a larger molecule, e.g., an antigen binding to an antibody, a hormone or neurotransmitter binding to a receptor, or a substrate or allosteric effector binding to an enzyme. Ligands are also molecules that donate or accept a pair of electrons to form a coordinate covalent bond with the central metal atom of a coordination complex. (From Dorland, 27th ed)
In screening and diagnostic tests, the probability that a person with a positive test is a true positive (i.e., has the disease), is referred to as the predictive value of a positive test; whereas, the predictive value of a negative test is the probability that the person with a negative test does not have the disease. Predictive value is related to the sensitivity and specificity of the test.
The process of pictorial communication, between human and computers, in which the computer input and output have the form of charts, drawings, or other appropriate pictorial representation.
A class of compounds of the type R-M, where a C atom is joined directly to any other element except H, C, N, O, F, Cl, Br, I, or At. (Grant & Hackh's Chemical Dictionary, 5th ed)
Pathologic conditions affecting the BRAIN, which is composed of the intracranial components of the CENTRAL NERVOUS SYSTEM. This includes (but is not limited to) the CEREBRAL CORTEX; intracranial white matter; BASAL GANGLIA; THALAMUS; HYPOTHALAMUS; BRAIN STEM; and CEREBELLUM.
The study of MAGNETIC PHENOMENA.
Analysis based on the mathematical function first formulated by Jean-Baptiste-Joseph Fourier in 1807. The function, known as the Fourier transform, describes the sinusoidal pattern of any fluctuating pattern in the physical world in terms of its amplitude and its phase. It has broad applications in biomedicine, e.g., analysis of the x-ray crystallography data pivotal in identifying the double helical nature of DNA and in analysis of other molecules, including viruses, and the modified back-projection algorithm universally used in computerized tomography imaging, etc. (From Segen, The Dictionary of Modern Medicine, 1992)
A type of scanning probe microscopy in which a probe systematically rides across the surface of a sample being scanned in a raster pattern. The vertical position is recorded as a spring attached to the probe rises and falls in response to peaks and valleys on the surface. These deflections produce a topographic map of the sample.
Derivatives of ACETIC ACID. Included under this heading are a broad variety of acid forms, salts, esters, and amides that contain the carboxymethane structure.
The chemical reactions involved in the production and utilization of various forms of energy in cells.
The muscle tissue of the HEART. It is composed of striated, involuntary muscle cells (MYOCYTES, CARDIAC) connected to form the contractile pump to generate blood flow.
The relationship between the chemical structure of a compound and its biological or pharmacological activity. Compounds are often classed together because they have structural characteristics in common including shape, size, stereochemical arrangement, and distribution of functional groups.
A primary source of energy for living organisms. It is naturally occurring and is found in fruits and other parts of plants in its free state. It is used therapeutically in fluid and nutrient replacement.
A yellow metallic element with the atomic symbol Au, atomic number 79, and atomic weight 197. It is used in jewelry, goldplating of other metals, as currency, and in dental restoration. Many of its clinical applications, such as ANTIRHEUMATIC AGENTS, are in the form of its salts.
The study of crystal structure using X-RAY DIFFRACTION techniques. (McGraw-Hill Dictionary of Scientific and Technical Terms, 4th ed)
Mathematical procedure that transforms a number of possibly correlated variables into a smaller number of uncorrelated variables called principal components.
A spectroscopic technique in which a range of wavelengths is presented simultaneously with an interferometer and the spectrum is mathematically derived from the pattern thus obtained.
Chromatography on thin layers of adsorbents rather than in columns. The adsorbent can be alumina, silica gel, silicates, charcoals, or cellulose. (McGraw-Hill Dictionary of Scientific and Technical Terms, 4th ed)
Electrical devices that are composed of semiconductor material, with at least three connections to an external electronic circuit. They are used to amplify electrical signals, detect signals, or as switches.
Methods of creating machines and devices.
A microanalytical technique combining mass spectrometry and gas chromatography for the qualitative as well as quantitative determinations of compounds.
Measurement of the intensity and quality of fluorescence.
A mass spectrometric technique that is used for the analysis of a wide range of biomolecules, such as glycoalkaloids, glycoproteins, polysaccharides, and peptides. Positive and negative fast atom bombardment spectra are recorded on a mass spectrometer fitted with an atom gun with xenon as the customary beam. The mass spectra obtained contain molecular weight recognition as well as sequence information.
An essential amino acid that is required for the production of HISTAMINE.
Stable xenon atoms that have the same atomic number as the element xenon, but differ in atomic weight. Xe-124, 126, 128-131, 134, and 136 are stable xenon isotopes.
Molecules which contain an atom or a group of atoms exhibiting an unpaired electron spin that can be detected by electron spin resonance spectroscopy and can be bonded to another molecule. (McGraw-Hill Dictionary of Chemical and Technical Terms, 4th ed)
The thin layer of GRAY MATTER on the surface of the CEREBRAL HEMISPHERES that develops from the TELENCEPHALON and folds into gyri and sulchi. It reaches its highest development in humans and is responsible for intellectual faculties and higher mental functions.
Relating to the size of solids.
Use of sophisticated analysis tools to sort through, organize, examine, and combine large sets of information.
Methods utilizing the principles of MICROFLUIDICS for sample handling, reagent mixing, and separation and detection of specific components in fluids.
Nanometer-sized particles that are nanoscale in three dimensions. They include nanocrystaline materials; NANOCAPSULES; METAL NANOPARTICLES; DENDRIMERS, and QUANTUM DOTS. The uses of nanoparticles include DRUG DELIVERY SYSTEMS and cancer targeting and imaging.
The white of an egg, especially a chicken's egg, used in cooking. It contains albumin. (Random House Unabridged Dictionary, 2d ed)
Proteins that are chemically bound to a substrate material which renders their location fixed. The immobilization of proteins allows their use in chemical reactions without being diluted by solvent.
The transfer of energy of a given form among different scales of motion. (From McGraw-Hill Dictionary of Scientific and Technical Terms, 6th ed). It includes the transfer of kinetic energy and the transfer of chemical energy. The transfer of chemical energy from one molecule to another depends on proximity of molecules so it is often used as in techniques to measure distance such as the use of FORSTER RESONANCE ENERGY TRANSFER.
Behavioral manifestations of cerebral dominance in which there is preferential use and superior functioning of either the left or the right side, as in the preferred use of the right hand or right foot.
A component of PHOSPHATIDYLCHOLINES or LECITHINS, in which the two hydroxy groups of GLYCEROL are esterified with fatty acids. (From Stedman, 26th ed) It counteracts the effects of urea on enzymes and other macromolecules.
The thermodynamic interaction between a substance and WATER.
Derivatives of phosphatidic acids in which the phosphoric acid is bound in ester linkage to a choline moiety. Complete hydrolysis yields 1 mole of glycerol, phosphoric acid and choline and 2 moles of fatty acids.
The largest class of organic compounds, including STARCH; GLYCOGEN; CELLULOSE; POLYSACCHARIDES; and simple MONOSACCHARIDES. Carbohydrates are composed of carbon, hydrogen, and oxygen in a ratio of Cn(H2O)n.
Stable sodium atoms that have the same atomic number as the element sodium, but differ in atomic weight. Na-23 is a stable sodium isotope.
The isotopic compound of hydrogen of mass 2 (deuterium) with oxygen. (From Grant & Hackh's Chemical Dictionary, 5th ed) It is used to study mechanisms and rates of chemical or nuclear reactions, as well as biological processes.
A group of peptide antibiotics from BACILLUS brevis. Gramicidin C or S is a cyclic, ten-amino acid polypeptide and gramicidins A, B, D are linear. Gramicidin is one of the two principal components of TYROTHRICIN.
Databases containing information about PROTEINS such as AMINO ACID SEQUENCE; PROTEIN CONFORMATION; and other properties.
A trace element that constitutes about 27.6% of the earth's crust in the form of SILICON DIOXIDE. It does not occur free in nature. Silicon has the atomic symbol Si, atomic number 14, and atomic weight [28.084; 28.086].
Theoretical representations that simulate the behavior or activity of systems, processes, or phenomena. They include the use of mathematical equations, computers, and other electronic equipment.
The comparative study of social organization in animals including humans, especially with regard to its genetic basis and evolutionary history. (Merriam-Webster's Collegiate Dictionary, 10th ed)
A type of MAGNETIC RESONANCE IMAGING that uses only one nuclear spin excitation per image and therefore can obtain images in a fraction of a second rather than the minutes required in traditional MRI techniques. It is used in a variety of medical and scientific applications.
Neoplasms of the intracranial components of the central nervous system, including the cerebral hemispheres, basal ganglia, hypothalamus, thalamus, brain stem, and cerebellum. Brain neoplasms are subdivided into primary (originating from brain tissue) and secondary (i.e., metastatic) forms. Primary neoplasms are subdivided into benign and malignant forms. In general, brain tumors may also be classified by age of onset, histologic type, or presenting location in the brain.
Synthesized magnetic particles under 100 nanometers possessing many biomedical applications including DRUG DELIVERY SYSTEMS and CONTRAST AGENTS. The particles are usually coated with a variety of polymeric compounds.
Any visual display of structural or functional patterns of organs or tissues for diagnostic evaluation. It includes measuring physiologic and metabolic responses to physical and chemical stimuli, as well as ultramicroscopy.
Salts or esters of LACTIC ACID containing the general formula CH3CHOHCOOR.
The physical phenomena describing the structure and properties of atoms and molecules, and their reaction and interaction processes.
A synthetic phospholipid used in liposomes and lipid bilayers for the study of biological membranes.
Nanoparticles produced from metals whose uses include biosensors, optics, and catalysts. In biomedical applications the particles frequently involve the noble metals, especially gold and silver.
The portion of an interactive computer program that issues messages to and receives commands from a user.
Domesticated bovine animals of the genus Bos, usually kept on a farm or ranch and used for the production of meat or dairy products or for heavy labor.
A non-essential amino acid that occurs in high levels in its free state in plasma. It is produced from pyruvate by transamination. It is involved in sugar and acid metabolism, increases IMMUNITY, and provides energy for muscle tissue, BRAIN, and the CENTRAL NERVOUS SYSTEM.
A loose confederation of computer communication networks around the world. The networks that make up the Internet are connected through several backbone networks. The Internet grew out of the US Government ARPAnet project and was designed to facilitate information exchange.
Materials in intermediate state between solid and liquid.
A chemical reaction in which an electron is transferred from one molecule to another. The electron-donating molecule is the reducing agent or reductant; the electron-accepting molecule is the oxidizing agent or oxidant. Reducing and oxidizing agents function as conjugate reductant-oxidant pairs or redox pairs (Lehninger, Principles of Biochemistry, 1982, p471).
Condition of having pores or open spaces. This often refers to bones, bone implants, or bone cements, but can refer to the porous state of any solid substance.
Compounds formed by the joining of smaller, usually repeating, units linked by covalent bonds. These compounds often form large macromolecules (e.g., BIOPOLYMERS; PLASTICS).
A basic enzyme that is present in saliva, tears, egg white, and many animal fluids. It functions as an antibacterial agent. The enzyme catalyzes the hydrolysis of 1,4-beta-linkages between N-acetylmuramic acid and N-acetyl-D-glucosamine residues in peptidoglycan and between N-acetyl-D-glucosamine residues in chitodextrin. EC 3.2.1.17.
A metabolic process that converts GLUCOSE into two molecules of PYRUVIC ACID through a series of enzymatic reactions. Energy generated by this process is conserved in two molecules of ATP. Glycolysis is the universal catabolic pathway for glucose, free glucose, or glucose derived from complex CARBOHYDRATES, such as GLYCOGEN and STARCH.
Determination of the spectra of ultraviolet absorption by specific molecules in gases or liquids, for example Cl2, SO2, NO2, CS2, ozone, mercury vapor, and various unsaturated compounds. (McGraw-Hill Dictionary of Scientific and Technical Terms, 4th ed)
Decrease in the size of a cell, tissue, organ, or multiple organs, associated with a variety of pathological conditions such as abnormal cellular changes, ischemia, malnutrition, or hormonal changes.
The part of the cerebral hemisphere anterior to the central sulcus, and anterior and superior to the lateral sulcus.
Scattering of a beam of electromagnetic or acoustic RADIATION, or particles, at small angles by particles or cavities whose dimensions are many times as large as the wavelength of the radiation or the de Broglie wavelength of the scattered particles. Also know as low angle scattering. (McGraw-Hill Dictionary of Scientific and Technical Terms, 6th ed) Small angle scattering (SAS) techniques, small angle neutron (SANS), X-ray (SAXS), and light (SALS, or just LS) scattering, are used to characterize objects on a nanoscale.
The application of engineering principles and methods to living organisms or biological systems.
Observation of a population for a sufficient number of persons over a sufficient number of years to generate incidence or mortality rates subsequent to the selection of the study group.
Agents that emit light after excitation by light. The wave length of the emitted light is usually longer than that of the incident light. Fluorochromes are substances that cause fluorescence in other substances, i.e., dyes used to mark or label other compounds with fluorescent tags.
Iron (II,III) oxide (Fe3O4). It is a black ore of IRON that forms opaque crystals and exerts strong magnetism.
Compounds and molecular complexes that consist of very large numbers of atoms and are generally over 500 kDa in size. In biological systems macromolecular substances usually can be visualized using ELECTRON MICROSCOPY and are distinguished from ORGANELLES by the lack of a membrane structure.
A physical property showing different values in relation to the direction in or along which the measurement is made. The physical property may be with regard to thermal or electric conductivity or light refraction. In crystallography, it describes crystals whose index of refraction varies with the direction of the incident light. It is also called acolotropy and colotropy. The opposite of anisotropy is isotropy wherein the same values characterize the object when measured along axes in all directions.
The range or frequency distribution of a measurement in a population (of organisms, organs or things) that has not been selected for the presence of disease or abnormality.
Any detectable and heritable change in the genetic material that causes a change in the GENOTYPE and which is transmitted to daughter cells and to succeeding generations.
A conjugated protein which is the oxygen-transporting pigment of muscle. It is made up of one globin polypeptide chain and one heme group.
Lower lateral part of the cerebral hemisphere responsible for auditory, olfactory, and semantic processing. It is located inferior to the lateral fissure and anterior to the OCCIPITAL LOBE.
A group of atoms or molecules attached to other molecules or cellular structures and used in studying the properties of these molecules and structures. Radioactive DNA or RNA sequences are used in MOLECULAR GENETICS to detect the presence of a complementary sequence by NUCLEIC ACID HYBRIDIZATION.
An atom or group of atoms that have a positive or negative electric charge due to a gain (negative charge) or loss (positive charge) of one or more electrons. Atoms with a positive charge are known as CATIONS; those with a negative charge are ANIONS.
The species Oryctolagus cuniculus, in the family Leporidae, order LAGOMORPHA. Rabbits are born in burrows, furless, and with eyes and ears closed. In contrast with HARES, rabbits have 22 chromosome pairs.
An essential amino acid that is necessary for normal growth in infants and for NITROGEN balance in adults. It is a precursor of INDOLE ALKALOIDS in plants. It is a precursor of SEROTONIN (hence its use as an antidepressant and sleep aid). It can be a precursor to NIACIN, albeit inefficiently, in mammals.
The property of emitting radiation while being irradiated. The radiation emitted is usually of longer wavelength than that incident or absorbed, e.g., a substance can be irradiated with invisible radiation and emit visible light. X-ray fluorescence is used in diagnosis.
The circulation of blood through the BLOOD VESSELS of the BRAIN.
One of the convolutions on the medial surface of the CEREBRAL HEMISPHERES. It surrounds the rostral part of the brain and CORPUS CALLOSUM and forms part of the LIMBIC SYSTEM.
A polynucleotide consisting essentially of chains with a repeating backbone of phosphate and ribose units to which nitrogenous bases are attached. RNA is unique among biological macromolecules in that it can encode genetic information, serve as an abundant structural component of cells, and also possesses catalytic activity. (Rieger et al., Glossary of Genetics: Classical and Molecular, 5th ed)
Body of knowledge related to the use of organisms, cells or cell-derived constituents for the purpose of developing products which are technically, scientifically and clinically useful. Alteration of biologic function at the molecular level (i.e., GENETIC ENGINEERING) is a central focus; laboratory methods used include TRANSFECTION and CLONING technologies, sequence and structure analysis algorithms, computer databases, and gene and protein structure function analysis and prediction.
The chemical reactions that occur within the cells, tissues, or an organism. These processes include both the biosynthesis (ANABOLISM) and the breakdown (CATABOLISM) of organic materials utilized by the living organism.
Proteins prepared by recombinant DNA technology.
Dysprosium. An element of the rare earth family that has the atomic symbol Dy, atomic number 66, and atomic weight 162.50. Dysprosium is a silvery metal used primarily in the form of various salts.
Evaluation undertaken to assess the results or consequences of management and procedures used in combating disease in order to determine the efficacy, effectiveness, safety, and practicability of these interventions in individual cases or series.
Any visible result of a procedure which is caused by the procedure itself and not by the entity being analyzed. Common examples include histological structures introduced by tissue processing, radiographic images of structures that are not naturally present in living tissue, and products of chemical reactions that occur during analysis.
Investigative technique commonly used during ELECTROENCEPHALOGRAPHY in which a series of bright light flashes or visual patterns are used to elicit brain activity.
The assembly of the QUATERNARY PROTEIN STRUCTURE of multimeric proteins (MULTIPROTEIN COMPLEXES) from their composite PROTEIN SUBUNITS.
The failure by the observer to measure or identify a phenomenon accurately, which results in an error. Sources for this may be due to the observer's missing an abnormality, or to faulty technique resulting in incorrect test measurement, or to misinterpretation of the data. Two varieties are inter-observer variation (the amount observers vary from one another when reporting on the same material) and intra-observer variation (the amount one observer varies between observations when reporting more than once on the same material).
A highly toxic gas that has been used as a chemical warfare agent. It is an insidious poison as it is not irritating immediately, even when fatal concentrations are inhaled. (From The Merck Index, 11th ed, p7304)

Ligand substitution of receptor targeted DNA complexes affects gene transfer into hepatoma cells. (1/5953)

We have targeted the serpin enzyme complex receptor for gene transfer in human hepatoma cell lines using peptides < 30 amino acids in length which contain the five amino acid recognition sequence for this receptor, coupled to poly K of average chain length 100 K, using the heterobifunctional coupling reagent sulfo-LC SPDP. The number of sulfo-LC SPDP modified poly-L-lysine residues, as well as the degree of peptide substitution was assessed by nuclear magnetic resonance spectroscopy. Conjugates were prepared in which 3.5%, 7.8% or 26% of the lysine residues contained the sulfo-LC SPDP moiety. Each of these conjugates was then coupled with ligand peptides so that one in 370, one in 1039, or one in 5882 lysines were substituted with receptor ligand. Electron microscopy and atomic force microscopy were used to assess complex structure and size. HuH7 human hepatoma cells were transfected with complexes of these conjugates with the plasmid pGL3 and luciferase expression measured 2 to 16 days after treatment. All the protein conjugates in which 26% of the K residues were modified with sulfo-LC SPDP were poor gene transfer reagents. Complexes containing less substituted poly K, averaged 17 +/- 0.5 nm in diameter and gave peak transgene expression of 3-4 x 10(6) ILU/mg which persisted (> 7 x 10(5) ILU) at 16 days. Of these, more substituted polymers condensed DNA into complexes averaging 20 +/- 0.7 nm in diameter and gave five-fold less luciferase than complexes containing less substituted conjugates. As few as eight to 11 ligands per complex are optimal for DNA delivery via the SEC receptor. The extent of substitution of receptor-mediated gene transfer complexes affects the size of the complexes, as well as the intensity and duration of transgene expression. These observations may permit tailoring of complex construction for the usage required.  (+info)

Small antibody-like proteins with prescribed ligand specificities derived from the lipocalin fold. (2/5953)

We demonstrate that the ligand pocket of a lipocalin from Pieris brassicae, the bilin-binding protein (BBP), can be reshaped by combinatorial protein design such that it recognizes fluorescein, an established immunological hapten. For this purpose 16 residues at the center of the binding site, which is formed by four loops on top of an eight-stranded beta-barrel, were subjected to random mutagenesis. Fluorescein-binding BBP variants were then selected from the mutant library by bacterial phage display. Three variants were identified that complex fluorescein with high affinity, exhibiting dissociation constants as low as 35.2 nM. Notably, one of these variants effects almost complete quenching of the ligand fluorescence, similarly as an anti-fluorescein antibody. Detailed ligand-binding studies and site-directed mutagenesis experiments indicated (i) that the molecular recognition of fluorescein is specific and (ii) that charged residues at the center of the pocket are responsible for tight complex formation. Sequence comparison of the BBP variants directed against fluorescein with the wild-type protein and with further variants that were selected against several other ligands revealed that all of the randomized amino acid positions are variable. Hence, a lipocalin can be used for generating molecular pockets with a diversity of shapes. We term this class of engineered proteins "anticalins." Their one-domain scaffold makes them a promising alternative to antibodies to create a stable receptor protein for a ligand of choice.  (+info)

Tolerance of Arc repressor to multiple-alanine substitutions. (3/5953)

Arc repressor mutants containing from three to 15 multiple-alanine substitutions have spectral properties expected for native Arc proteins, form heterodimers with wild-type Arc, denature cooperatively with Tms equal to or greater than wild type, and, in some cases, fold as much as 30-fold faster and unfold as much as 50-fold slower than wild type. Two of the mutants, containing a total of 14 different substitutions, also footprint operator DNA in vitro. The stability of some of the proteins with multiple-alanine mutations is significantly greater than that predicted from the sum of the single substitutions, suggesting that a subset of the wild-type residues in Arc may interact in an unfavorable fashion. Overall, these results show that almost half of the residues in Arc can be replaced by alanine en masse without compromising the ability of this small, homodimeric protein to fold into a stable, native-like structure.  (+info)

The two-dimensional IR nonlinear spectroscopy of a cyclic penta-peptide in relation to its three-dimensional structure. (4/5953)

A form of two-dimensional (2D) vibrational spectroscopy, which uses two ultrafast IR laser pulses, is used to examine the structure of a cyclic penta-peptide in solution. Spectrally resolved cross peaks occur in the off-diagonal region of the 2D IR spectrum of the amide I region, analogous to those in 2D NMR spectroscopy. These cross peaks measure the coupling between the different amide groups in the structure. Their intensities and polarizations relate directly to the three-dimensional structure of the peptide. With the help of a model coupling Hamiltonian, supplemented by density functional calculations, the spectra of this penta-peptide can be regenerated from the known solution phase structure. This 2D-IR measurement, with an intrinsic time resolution of less than 1 ps, could be used in all time regimes of interest in biology.  (+info)

Reversible conversion of monomeric human prion protein between native and fibrilogenic conformations. (5/5953)

Prion propagation involves the conversion of cellular prion protein (PrPC) into a disease-specific isomer, PrPSc, shifting from a predominantly alpha-helical to beta-sheet structure. Here, conditions were established in which recombinant human PrP could switch between the native alpha conformation, characteristic of PrPC, and a compact, highly soluble, monomeric form rich in beta structure. The soluble beta form (beta-PrP) exhibited partial resistance to proteinase K digestion, characteristic of PrPSc, and was a direct precursor of fibrillar structures closely similar to those isolated from diseased brains. The conversion of PrPC to beta-PrP in suitable cellular compartments, and its subsequent stabilization by intermolecular association, provide a molecular mechanism for prion propagation.  (+info)

Denatured states of human carbonic anhydrase II: an NMR study of hydrogen/deuterium exchange at tryptophan-indole-H(N) sites. (6/5953)

Hydrogen/deuterium (H/D) exchange measurements in low and moderate concentrations of GuHCI were conducted on the side chain H(N) atoms of the seven tryptophans of pseudo wild-type human carbonic anhydrase II. Tryptophans 5, 16 and 245, situated in or close to the N-terminal domain were found to have little protection against exchange. The H/D exchange results for Trp-123, Trp-192 and Trp-209 showed that a previously identified molten globule and the native state gave a similar protection against exchange. Global unfolding of the protein is necessary for the efficient exchange at Trp-97, which is located in the central part of the beta-sheet.  (+info)

Probing cell-surface architecture through synthesis: an NMR-determined structural motif for tumor-associated mucins. (7/5953)

Cell-surface mucin glycoproteins are altered with the onset of oncogenesis. Knowledge of mucin structure could be used in vaccine strategies that target tumor-associated mucin motifs. Thus far, however, mucins have resisted detailed molecular analysis. Reported herein is the solution conformation of a highly complex segment of the mucin CD43. The elongated secondary structure of the isolated mucin strand approaches the stability of motifs found in folded proteins. The features required for the mucin motif to emerge are also described. Immunocharacterization of related constructs strongly suggests that the observed epitopes represent distinguishing features of tumor cell-surface architecture.  (+info)

The structure of the antimicrobial active center of lactoferricin B bound to sodium dodecyl sulfate micelles. (8/5953)

Lactoferricin B (LfcinB) is a 25-residue antimicrobial peptide released from bovine lactoferrin upon pepsin digestion. The antimicrobial center of LfcinB consists of six residues (RRWQWR-NH2), and it possesses similar bactericidal activity to LfcinB. The structure of the six-residue peptide bound to sodium dodecyl sulfate (SDS) micelles has been determined by NMR spectroscopy and molecular dynamics refinement. The peptide adopts a well defined amphipathic structure when bound to SDS micelles with the Trp sidechains separated from the Arg residues. Additional evidence demonstrates that the peptide is oriented in the micelle such that the Trp residues are more deeply buried in the micelle than the Arg and Gln residues.  (+info)

Carr−Purcell−Meiboom−Gill relaxation dispersion NMR spectroscopy has evolved into a powerful approach for the study of low populated, invisible conformations of biological molecules. One of the powerful features of the experiment is that chemical shift differences between the exchanging conformers can be obtained, providing structural information about invisible excited states. Through the development of new labeling approaches and NMR experiments it is now possible to measure backbone 13Cα and 13CO relaxation dispersion profiles in proteins without complications from 13C−13C couplings. Such measurements are presented here, along with those that probe exchange using 15N and 1HN nuclei. A key experimental design has been the choice of an exchanging system where excited-state chemical shifts were known from independent measurement. Thus it is possible to evaluate quantitatively the accuracy of chemical shift differences obtained in dispersion experiments and to establish that in general ...
Allosteric transmission of information between distant sites in biological macromolecules often involves collective transitions between active and inactive conformations. Nuclear magnetic resonance (NMR) spectroscopy can yield detailed information on these dynamics. In particular, relaxation dispersion techniques provide structural, dynamic, and mechanistic information on conformational transitions occurring on the millisecond to microsecond timescales. In this review, we provide an overview of the theory and analysis of Carr-Purcell-Meiboom-Gill (CPMG) relaxation dispersion NMR experiments and briefly describe their application to the study of allosteric dynamics in the homeodomain from the PBX transcription factor (PBX-HD). CPMG NMR data show that local folding (helix/coil) transitions in one part of PBX-HD help to communicate information between two distant binding sites. Furthermore, the combination of CPMG and other spin relaxation data show that this region can also undergo local ...
Structural plasticity and Mg2+ binding properties of RNase P P4 from combined analysis of NMR residual dipolar couplings and motionally decoupled spin relaxation.
Comparative studies on manual and automatic backbone chemical shift assignments of 2H-13C-15N-labeled Ube2g1. . Biblioteca virtual para leer y descargar libros, documentos, trabajos y tesis universitarias en PDF. Material universiario, documentación y tareas realizadas por universitarios en nuestra biblioteca. Para descargar gratis y para leer online.
The model-free analysis of NMR relaxation data, which is widely used for the study of protein dynamics, consists of the separation of the Brownian rotational diffusion from internal motions relative to the diffusion frame and the description of these internal motions by amplitude and timescale. Through parametric restriction and the addition of the Rex parameter a number of model-free models can be constructed. The model-free problem is often solved by initially estimating the diffusion tensor. The model-free models are then optimised and the best model is selected. Finally, the global model of all diffusion and model-free parameters is optimised. These steps are repeated until convergence. This thesis will investigate all aspects of the model-free data analysis chain. (For complete abstract open document ...
The European Physical Journal D (EPJ D) presents new and original research results in Atomic, Molecular, Optical and Plasma Physics
Author: Andronesi, O. et al.; Genre: Journal Article; Published in Print: 2005-09-21; Title: Determination of membrane protein structure and dynamics by magic-angle-spinning solid-state NMR spectroscopy
Author: Andronesi, O. et al.; Genre: Journal Article; Published in Print: 2005-09-21; Title: Determination of membrane protein structure and dynamics by magic-angle-spinning solid-state NMR spectroscopy
Abstract : MC1 is the most abundant architectural protein present in Methanosarcina thermophila CHTI55 in laboratory growth conditions and is structurally unrelated to other DNA-binding proteins. MC1 functions are to shape and to protect DNA against thermal denaturation by binding to it. Therefore, MC1 has a strong affinity for any double-stranded DNA. However, it recognizes and preferentially binds to bent DNA, such as four-way junctions and negatively supercoiled DNA minicircles. Combining NMR data, electron microscopy data, biochemistry, molecular modelisation and docking approaches, we proposed recently a new type of DNA/protein complex, in which the monomeric protein MC1 binds on the concave side of a strongly bent 15 base pairs DNA. We present here the NMR chemical shifts assignments of each partner in the complex, 1H 15N MC1 protein and 1H 13C 15N bent duplex DNA, as first step towards the first experimental 3D structure of this new type of DNA/protein complex.. ...
TY - JOUR. T1 - Chemical shift assignments of the C-terminal Eps15 homology domain-3 EH domain. AU - Spagnol, Gaelle. AU - Reiling, Calliste. AU - Kieken, Fabien. AU - Caplan, Steve. AU - Sorgen, Paul L.. PY - 2014/10/1. Y1 - 2014/10/1. N2 - The C-terminal Eps15 homology (EH) domain 3 (EHD3) belongs to a eukaryotic family of endocytic regulatory proteins and is involved in the recycling of various receptors from the early endosome to the endocytic recycling compartment or in retrograde transport from the endosomes to the Golgi. EH domains are highly conserved in the EHD family and function as protein-protein interaction units that bind to Asn-Pro-Phe (NPF) motif-containing proteins. The EH domain of EHD1 was the first C-terminal EH domain from the EHD family to be solved by NMR. The differences observed between this domain and proteins with N-terminal EH domains helped describe a mechanism for the differential binding of NPF-containing proteins. Here, structural studies were expanded to include ...
For a quarter of a century X-ray diffraction in single crystals was unique in its ability to solve three-dimensional structures of proteins and nucleic acids at atomic resolution. The situation changed in 1984 with the completion of a protein structure determination by nuclear magnetic resonance (NMR) spectroscopy in solution, and today NMR is a second widely used method for biomacromolecular structure determination. This review describes the method of NMR structure determination of biological macromolecules, and attempts to place NMR structure determination in perspective with X-ray crystallography. NMR is most powerful for studies of relatively small systems with molecular weights up to about 30000, but these structures can be obtained in near-physiological milieus. The two techniques have widely different time scales which afford different insights into internal molecular mobility as well as different views of protein or nucleic acid molecular surfaces and hydration. Generally, in addition to ...
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Hsp90 is one of the most abundant chaperone proteins in the cytosol. In an ATP-dependent manner it plays an essential role in the folding and activation of a range of client proteins involved in signal transduction and cell cycle regulation. We used NMR shift perturbation experiments to obtain infor …
As a member of the wwPDB, the RCSB PDB curates and annotates PDB data according to agreed upon standards. The RCSB PDB also provides a variety of tools and resources. Users can perform simple and advanced searches based on annotations relating to sequence, structure and function. These molecules are visualized, downloaded, and analyzed by users who range from students to specialized scientists.
1BT7: THE SOLUTION NMR STRUCTURE OF THE N-TERMINAL PROTEASE DOMAIN OF THE HEPATITIS C VIRUS (HCV) NS3-PROTEIN, FROM BK STRAIN, 20 STRUCTURES
Dr David Pugh (Deputy Programme Co-ordinator, UWC) has a background in Applied Mathematics and Physics, and has experience of determining protein structures using nuclear magnetic resonance (NMR) spectroscopy. Dr Pugh is the leader of the Structural Biology Group at UWC. He will also co-ordinate the NMR component of the Masters Programme in Structural Biology, as well as contribute lectures on mathematical techniques and NMR spectroscopy.. ...
The presence of slow motions with large amplitudes, as detected by measurements based on residual dipolar couplings [Peti, W., Meiler, J., Brueschweiler, R. and Griesinger, C. (2002) J. Am. Chem. Soc.
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A 3-year postdoctoral position in Membrane Protein Structure / Protein NMR is available at the University of Warwick, UK under the supervision of Dr. Ann Dixon.. The post is funded by the Medical Research Council, and is focused on exploring the roles of transmembrane domains in the assembly and function of the B-cell receptor (BCR), one of the most important immune receptors in humans which controls B-cell development, activity, selection and death. Aberrant BCR signalling leads to autoimmune diseases, B-cell leukaemias, and lymphomas, thus it is a therapeutic target of great interest. The project involves use of a variety of biochemical and biophysical methods (especially solution-state NMR spectroscopy) to investigate the structures and interactions of the BCR transmembrane domains in model membranes and in natural membranes. We will work in close collaboration with experts in the biology of this receptor, in order to translate our structural findings in situ into cells and more fully relate ...
Average backbone N and HN chemical shift perturbation in Aβ42 upon addition of IAPP-GI.The values are reported as slope of the best fitted line to chemical shi
TY - CHAP. T1 - In-Cell Protein NMR Spectroscopy. AU - Burz, David S.. AU - Cowburn, David. AU - Dutta, Kaushik. AU - Shekhtman, Alexander. PY - 2012/3/21. Y1 - 2012/3/21. N2 - Structural biology in general, including NMR, is highly reductionist-simplifying complex systems to their component parts, and extrapolating to the native interactions that occur in cells and tissues. The strengths of NMR analysis-high-resolution structure determination, intermolecular interface identification, dynamic molecular descriptions, site-specific electronic characterization-are patently applicable to cells and tissues, but face a number of technical complexities, including sensitivity, selectivity, and localization. Additionally, while there is adequate understanding of crowding and similar physicochemical effects in homogeneous polymer systems, the heterogeneity of the cellular environment adds an additional challenge (or opportunity) for potentially new phenomena to be observed. Current literature describes a ...
The linear analysis of chemical shifts (LACS) has provided a robust method for identifying and correcting 13C chemical shift referencing problems in data from protein NMR spectroscopy. Unlike other ap
For the Ras-binding domain of the protein kinase Byr2, only a limited number of NOE contacts could be initially assigned unambiguously, as the quality of the NOESY spectra was too poor. However, the use of residual (1)H-(15)N dipolar couplings in the beginning of the structure determination process allows to overcome this problem. We used a three-step recipe for this procedure. A previously unknown structure could be calculated reasonably well with only a limited number of unambiguously assigned NOE contacts. ...
Authors: Samson, Camille; Herrada, Isaline; Celli, Florian; Theillet, Francois-Xavier; Zinn-Justin, Sophie. Citation: Samson, Camille; Herrada, Isaline; Celli, Florian; Theillet, Francois-Xavier; Zinn-Justin, Sophie. 1H, 13C and 15N backbone resonance assignment of the intrinsically disordered region of the nuclear envelope protein emerin Biomol. NMR Assign. 10, 179-182 (2016).. Assembly members: ...
Many important biological processes occur near or in membranes. The role of membranes is not merely confined to compartmentalization, they also form the matrix for membrane associated proteins and are of functional importance. Membrane associated proteins on the other hand require specific membrane properties for proper function. The interactions between membranes and proteins are thus of paramount importance and are at the focus of this work.. To draw valid conclusions about the nature of such interactions the membrane mimetics required in biophysical methods must faithfully mimic crucial properties of biological membranes. To this end, new types of small isotropic bicelles which mimic plant and bacterial membranes were characterized by their size and lipid dynamics using solution-state NMR. Small isotropic bicelles are specifically well suited for solution-state NMR studies since they maintain a bilayer while being sufficiently small to conduct interpretable experiments at the same time. ...
Using the advanced search option: there are 227 solution NMR structures of proteins with more than 200 residues. Thus, 2% of the 10,282 solution NMR structures are of protein with more than 200 residues. Furthermore, 0.3% of the 70,795 structures if proteins with more than 200 residues are determined by solution NMR ...
Postdoctoral position in solid- and solution-state NMR of membrane proteins at College of Staten Island (CSI) - City University of New York, New York, USA. A postdoctoral position is available at CSI-CUNY in Prof. Ming Tangs lab starting in January 2016. The project is to investigate the function-modulating interactions between proteins and membrane components by solving structures of membrane-associated protein complexes and aggregates. CSI NMR facility has a 600MHz solution instrument with cryoprobe, and the personnel also have access to the wide range of solution and solid spectrometers at the New York Structural Biology Center. The candidate is expected to have strong skills with recombinant expression of isotopically labeled proteins, and is familiar with solution NMR techniques for protein structure determination. Knowledge of solid-state NMR techniques is optional. Minority and female candidates are encouraged to apply. Please send applications with a CV and names of three references to ...
CYANA v2.1, T Herrmann, P Guntert and K Wuthrich - automated peak assignments, refinement, structure solution. NMRPipe, F Delaglio, S Grzesiek, GW Vuister, G Zhu, J Pfeifer and A Bax - processing. SPARKY v3, T Goddard - chemical shift assignment, data analysis. VNMR, Varian - collection. TALOS, G Cornilescu, F Delaglio and A Bax - coupling constant ...
CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution. AutoAssign v2.4.0, Zimmerman, Moseley, Kulikowski and Montelione - chemical shift assignment. NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing. TOPSPIN v2.1, Bruker Biospin - collection. SPARKY v3.113, Goddard - data analysis. TALOS, Cornilescu, Delaglio and Bax - geometry optimization. CNS v1.1, Brunger, Adams, Clore, Gros, Nilges and Read - refinement. RPF(AutoStructure) v2.2.1, Huang, Tejero, Powers and Montelione - validation. Molmol, Koradi, Billeter and Wuthrich - visualization. PSVS, Bhattacharya and Montelione - validation. PDBStat v5.0, Tejero R.; Montelione GT - validation. MolProbity, Richardson - validation. Procheck, Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Tho - validation ...
Nuclear Magnetic Resonance Structure of an 8 x 8 Nucleotide RNA Internal Loop Flanked on Each Side by Three Watson-Crick Pairs and Comparison to Three-Dimensional Predictions ...
Heres a neat paper thats shown up on arXiv.org on protein structures. The authors, from Yale and Edinburgh, are specifically comparing X-ray crystallographic
Abou Samra, A., A. Robert, C. Gov, L. Favre, L. Eloy, E. Jacquet, J. Bignon, J. Wiels, S. Desrat and F. Roussi (2018). Dual inhibitors of the pro-survival proteins Bcl-2 and Mcl-1 derived from natural compound meiogynin A. Eur J Med Chem 148: 26-38.. Andre, E., V. Derrien, P. Sebban, N. Assrir, E. Lescop and S. Bernad (2018). Impact of A90P, F106L and H64V mutations on neuroglobin stability and ligand binding kinetics. J Biol Inorg Chem.. Casiraghi, M., M. Damian, E. Lescop, J. L. Baneres and L. J. Catoire (2018). Illuminating the Energy Landscape of GPCRs: The Key Contribution of Solution-State NMR Associated with Escherichia coli as an Expression Host. Biochemistry 57(16): 2297-2307.. Cavailles, M., A. Bornet, X. Jaurand, B. Vuichoud, D. Baudouin, M. Baudin, L. Veyre, G. Bodenhausen, J. N. Dumez, S. Jannin, C. Coperet and C. Thieuleux (2018). Tailored Microstructured Hyperpolarizing Matrices for Optimal Magnetic Resonance Imaging. Angew Chem Int Ed Engl 57(25): 7453-7457.. Concilio, M. ...
Saturation transfer difference NMR spectroscopy was employed to characterize epitopes of macrolide antibiotics, azithromycin, oleandomycin and telithromycin binding to bovine serum albumin. The structural parts of azithromycin and...
TY - JOUR. T1 - Changes in calmodulin main-chain dynamics upon ligand binding revealed by cross-correlated NMR relaxation measurements. AU - Wang, Tianzhi. AU - Frederick, Kendra King. AU - Igumenova, Tatyana I.. AU - Wand, A. Joshua. AU - Zuiderweg, Erik R P. PY - 2005/1/26. Y1 - 2005/1/26. N2 - The fast dynamics of protein backbones are often investigated by nuclear magnetic relaxation experiments that report on the degree of spatial restriction of the amide bond vector. By comparing calmodulin in the peptide-bound and peptide-free states with these classical methods, we observe little difference in the dynamics of the polypeptide main chain (average order parameter decrease of 0.01 unit upon binding). However, when using NMR methods that monitor the mobility of the CO-Cα bond vector, we reveal a significant reduction of dynamics of the protein main chain (average order parameter decrease of 0.048 units). Previous investigations have suggested that the side-chain dynamics is reduced by an ...
Li, Yan, Zhong, Wenhe, Koay, Ann Zhufang, Ng, Hui Qi, Nah, Qianhui et al. 2019. Backbone resonance assignment for the full length tRNA-(N1G37) methyltransferase of Pseudomonas aeruginosa. Biomolecular NMR Assignments, 13 (2 ...
Backbone resonance assignment is a critical first step in the investigation of proteins by NMR. This is traditionally achieved with a standard set of experiments, most of which are not optimal for large proteins. Of these, HNCA is the most sensitive experiment that provides sequential correlations. …
TY - CHAP. T1 - The hybrid solution/solid-state NMR method for membrane protein structure determination. AU - Veglia, G.. AU - Traaseth, N. J.. AU - Shi, L.. AU - Verardi, R.. AU - Gopinath, T.. AU - Gustavsson, M.. PY - 2012. Y1 - 2012. N2 - This chapter describes a hybrid nuclear magnetic resonance (NMR) method for the structure determination of membrane proteins. The method consists in combining distance and orientational restraints derived from both solution and solid-state NMR techniques into a hybrid energy function that is minimized using simulated annealing calculations. Using this approach, we are able to determine the structural ensemble, topological orientation, and depth of insertion of membrane proteins in lipid environments. The feasibility of this method is demonstrated for three different single-pass membrane proteins ranging from 3 to 30. kDa in molecular weight. Finally, this chapter provides an overview of the most recent NMR pulse sequences with enhanced sensitivity and ...
Abstract: Using 13C solid-state nuclear magnetic resonance(NMR) we studied the structures of two spidroin-like polymers which were synthesized by the polymerization of polyalanine ((Ala)5) with oligomers of polystyrene(PS, MW=2000) and polyisoprene(PI, MW=2210). 13C CP/MAS (cross polarization/magic angle spinning) NMR spectra and spin-lattice relaxation time in the rotating frame (T1ρ(13C)) results of the polymers indicated that the chemical shifts of (Ala)5 in both polymers of polystyrene-co-polyalanine (PS-co-PAL) and polyisoprene-co-polyalanine (PI-co-PAL) were almost the same. This means that (Ala)5 peptide segments in the two polymers have similar chemical environments and secondary structures. The similar T1ρ(13C) values for (Ala)5 in the two polymers indicate that (Ala)5 peptide segments also have similar aggregate structures. The mechanical properties of the two spidroin-like polymers are quite different: PS-co-PAL is granular and tough while PI-co-PAL is rubber-like and tensible at ...
The magic angle is a precisely defined angle, the value of which is approximately 54.7356°. The magic angle is a root of a second-order Legendre polynomial, P2(cos θ) = 0, and so any interaction which depends on this second-order Legendre polynomial vanishes at the magic angle. This property makes the magic angle of particular importance in magic angle spinning solid-state NMR spectroscopy. In magnetic resonance imaging, structures with ordered collagen, such as tendons and ligaments, oriented at the magic angle may appear hyperintense in some sequences, this is called the magic angle artifact or effect. The magic angle θm is θ m = arccos ⁡ 1 3 = arctan ⁡ 2 ≈ 0.955 32 rad ≈ 54.7 ∘ , {\displaystyle \theta _{\mathrm {m} }=\arccos {\frac {1}{\sqrt {3}}}=\arctan {\sqrt {2}}\approx 0.955\,32\ {\text{rad}}\approx 54.7^{\circ }\!,} where arccos and arctan are the inverse cosine and tangent functions respectively. A195696 θm is the angle between the space diagonal of a cube and any of its ...
Abstract: Biological assemblies with specific function or pathogenicity are widespread within organisms; however, their insolubility, amorphous properties, and large size are the major obstacles for structure determination via solution NMR spectroscopy and X-ray crystallography. In contrast, solid-state NMR (ssNMR) spectroscopy is not limited by the solubility or crystallinity of the sample and is a potent method to determine the structure of protein assemblies at atomic resolution. High magnetic field, fast magic-angle spinning (MAS), isotope labeling schemes, and improved methodology in ssNMR have enabled resonance assignment and restraints in structure determination among protein assemblies. This review first discusses methods of obtaining structural restraints by ssNMR. Optimization of sample preparation is an effective approach to increase homogeneity in the conformation, thus also improving the resolution of ssNMR spectra. Furthermore, the resolution of 13C spectra can be further improved ...
The surface chemistry of self-assembled hydrogel fibres - their charge, hydrophobicity and ion-binding dynamics - is recognised to play an important role in determining how the gels develop as well as their suitability for different applications. However, to date there are no established methodologies for the study of this surface chemistry. Here, we demonstrate how solution-state NMR spectroscopy can be employed to measure the surface chemical properties of the fibres in a range of hydrogels formed from N-functionalised dipeptides, an effective and versatile class of gelator that has attracted much attention. By studying the interactions with the gel fibres of a diverse range of probe molecules and ions, we can simultaneously study a number of surface chemical properties of the NMR invisible fibres in an essentially non-invasive manner. Our results yield fresh insights into the materials. Most notably, gel fibres assembled using different tiggering methods bear differing amounts of negative ...
Establishing connectivity and proximity of nuclei is an important step in elucidating the structure and dynamics of molecules in solids using magic angle spinning (MAS) NMR spectroscopy. Although recent studies have successfully demonstrated the feasibility of proton-detected multidimensional solid-state NMR experiments under ultrafast-MAS frequencies and obtaining high-resolution spectral lines of protons, assignment of proton resonances is a major challenge. In this study, we first re-visit and demonstrate the feasibility of 2D constant-time uniform-sign cross-peak correlation (CTUC-COSY) NMR experiment on rigid solids under ultrafast-MAS conditions, where the sensitivity of the experiment is enhanced by the reduced spin-spin relaxation rate and the use of low radio-frequency power for heteronuclear decoupling during the evolution intervals of the pulse sequence. In addition, we experimentally demonstrate the performance of a proton-detected pulse sequence to obtain a 3D {sup 1}H/{sup ...
Solid-state NMR spectroscopy can provide site-resolved information about protein dynamics over many time scales. Here we combine protein deuteration, fast magic-angle spinning (~45-60kHz) and proton detection to study dynamics of ubiquitin in microcrystals, and in particular a mutant in a region that undergoes microsecond motions in a β-turn region in the wild-type protein. We use (15)N R1ρ relaxation measurements as a function of the radio-frequency (RF) field strength, i.e. relaxation dispersion, to probe how the G53A mutation alters these dynamics. We report a population-inversion of conformational states: the conformation that in the wild-type protein is populated only sparsely becomes the predominant state. We furthermore explore the potential to use amide-(1)H R1ρ relaxation to obtain insight into dynamics. We show that while quantitative interpretation of (1)H relaxation remains beyond reach under the experimental conditions, due to coherent contributions to decay, one may extract qualitative
In this thesis solid state NMR experiments on a variety of minerals and glasses are described with the aim of studying the dependence of their structure on the chemical composition. Chapter 1 introduces the reader to the subject. Chapter 2 describes 23Na and 27Al NMR experiments on a number of alkali fluoroaluminates. These substances ... read more consist of AIF6 octahedra which can be linked together to form a variety of structures, similar to the way in which Si04 and AI04 tetrahedra are linked together in aluminosilicates. The 23Na and 27Al chemical shifts correlate well with the type of structure. AIF3 is a network structure and has the most negative 27Al chemical shift (-16 ppm). The chemical shift increases from -3 and -1 ppm in the sheet structure chiolite (NasAI3F14) to 0 ppm in cryolite (N~AIF6) The 23Na chemical shift is dependent of the number of fluorines coordinating Na: Na in an NaF6 group has a more positive chemical shift than Na in NaFs. Additionally, 27Al chemical shifts for ...
We report a solid-state 17O NMR study of the 17O electric-field-gradient (EFG) and chemical shielding (CS) tensors for the carboxyl oxygen in an l-alanine hydrochloride. Using [17O]- and [13C,17O]-l-alanine hydrochlorides, both the magnitudes and the orientations in the molecular frame of the 17O EFG and CS tensors could be determined by the analysis of the 17O magic-angle spinning (MAS) and stationary NMR spectra. For the carbonyl oxygen, the smallest EFG tensor component, VXX, and the largest EFG component, VZZ, roughly lies in the carboxyl molecular plane and the direction of VXX is parallel to the dipolar vector between 13C and 17O, that is, the direction of CO bond. The angles between the intermediate EFG component, VYY, and δ33 component, and between δ22 component and VZZ are found to be approximately 10° and 35°, respectively. We also present the results of the quantum chemical calculations for a theoretical hydrogen-bonding model, indicating that hydrogen-bonding strengths make it ...
Solution NMR structure of Lin0431 protein from Listeria innocua reveals high structural similarity with domain II of bacterial transcription antitermination protein NusG ...
Abstract: Transition-metal dithiolene complexes have interesting structures and fascinating redox properties, making them promising candidates for a number of applications, including superconductors, photonic devices, chemical sensors, and catalysts. However, not enough is known about the molecular electronic origins of these properties. Multinuclear solid-state NMR spectroscopy and first-principles calculations are used to examine the molecular and electronic structures of the redox series [Pt(tfd)2]z- (tfd = S2C2(CF3)2; z = 0, 1, 2; the anionic species have [NEt4]+ countercations). Single-crystal X-ray structures for the neutral (z = 0) and the fully reduced forms (z = 2) were obtained. The two species have very similar structures but differ slightly in their intraligand bond lengths. 19F−195Pt CP/CPMG and 195Pt magic-angle spinning (MAS) NMR experiments are used to probe the diamagnetic (z = 0, 2) species, revealing large platinum chemical shielding anisotropies (CSA) with distinct CS ...
This volume reviews the brief history of NMR chemical shielding and presents snap shots of the developing field, including: new methodologies to calculate NMR chemical shifts, calculation of chemical shifts in molecular systems of biological interest, advances in the undestanding of chemical shifts, and the modelling of chemical shifts in inorganic compounds.
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Anet, F. A. L. and Bourn, A. J. R.: Nuclear magnetic resonance spectral assignments from nuclear Overhauser effects, J. Am. Chem. Soc., 87, 5250-5251, https://doi.org/10.1021/ja00950a048, 1965. Arnold, L., Marx, A., Thiele, C. M., and Reggelin, M.: Polyguanidines as chiral orienting media for organic compounds, Chem.-Eur. J., 16, 10342-10346, https://doi.org/10.1002/chem.201000940, 2010. Bax, A.: Weak alignment offers new NMR opportunities to study protein structure and dynamics, Protein Sci., 12, 1-16, https://doi.org/10.1110/ps.0233303, 2003. Berger, R., Courtieu, J., Gil, R. R., Griesinger, C., Köck, M., Lesot, P., Luy, B., Merlet, D., Navarro-Vázquez, A., Reggelin, M., Reinscheid, U. M., Thiele, C. M., and Zweckstetter, M.: Is enantiomer assignment possible by NMR spectroscopy using residual dipolar couplings from chiral nonracemic alignment media? - A critical assessment, Angew. Chem. Int. Edit., 51, 8388-8391, https://doi.org/10.1002/anie.201107626, 2012. Bifulco, G., Riccio, R., Martin, ...
Get this from a library! Solid-State NMR in zeolite catalysis. [Jun Xu; Qiang Wang; Shenhui Li; Feng Deng] -- Solid-State NMR Characterization of Heterogeneous Catalysts and Catalytic Reactions provides a comprehensive account of state-of-the-art solid-state NMR techniques and the application of these ...
Correlation spectroscopy is one of several types of two-dimensional nuclear magnetic resonance (NMR) spectroscopy. Other types of two-dimensional NMR include 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. The first two-dimensional experiment, COSY, was proposed by Jean Jeener, a professor at Universit Libre de Bruxelles, in 1971. This experiment was later implemented by Walter P. Aue, Enrico Bartholdi and Richard R. Ernst, who published their work in 19761. A two-dimensional NMR experiment involves a series of one-dimensional experiments. Each experiment consists of a sequence of radio frequency pulses with delay periods in between them. It is the timing, frequencies, and intensities ...
Although conformational changes in TCRs and peptide Ags presented by MHC protein (pMHC) molecules often occur upon binding, their relationship to intrinsic flexibility and role in ligand selectivity are poorly understood. In this study, we used nuclear magnetic resonance to study TCR-pMHC binding, examining recognition of the QL9/H-2Ld complex by the 2C TCR. Although the majority of the CDR loops of the 2C TCR rigidify upon binding, the CDR3β loop remains mobile within the TCR-pMHC interface. Remarkably, the region of the QL9 peptide that interfaces with CDR3β is also mobile in the free pMHC and in the TCR-pMHC complex. Determination of conformational exchange kinetics revealed that the motions of CDR3β and QL9 are closely matched. The matching of conformational exchange in the free proteins and its persistence in the complex enhances the thermodynamic and kinetic stability of the TCR-pMHC complex and provides a mechanism for facile binding. We thus propose that matching of structural ...
Preface XV. 1 Introduction 1. 1.1 Literature 8. 1.2 Units and Constants 9. References 10. Part I Basic Principles and Applications 11. 2 The Physical Basis of the Nuclear Magnetic Resonance Experiment.. Part I 13. 2.1 The Quantum Mechanical Model for the Isolated Proton 13. 2.2 Classical Description of the NMR Experiment 16. 2.3 Experimental Verification of Quantized Angular Momentum and of the Resonance Equation 17. 2.4 The NMR Experiment on Compact Matter and the Principle of the NMR Spectrometer 19. 2.4.1 How to Measure an NMR Spectrum 19. 2.5 Magnetic Properties of Nuclei beyond the Proton 25. References 27. 3 The Proton Magnetic Resonance Spectra of Organic Molecules - Chemical Shift and Spin-Spin Coupling 29. 3.1 The Chemical Shift 29. 3.1.1 Chemical Shift Measurements 32. 3.1.2 Integration of the Spectrum 35. 3.1.3 Structural Dependence of the Resonance Frequency - A General Survey 37. 3.2 Spin-Spin Coupling 41. 3.2.1 Simple Rules for the Interpretation of Multiplet Structures 46. 3.2.2 ...
The ASRC Nuclear Magnetic Resonance Facility features three state-of-the-art Bruker AVANCE III HD NMR spectrometers operating at 600, 700, and 800 MHz suitable for the full complement of biomolecular NMR studies. All three spectrometers are equipped with either cryogenically-cooled or room temperature probes offering a wide range of 1H, 13C, 15N, 19F, 31P, and 2H NMR capabilities.. Equipped with refrigerated sample changers and remote operation capabilities, each of these instruments is able to independently run through 24 (SampleCase) or 600 (SampleJet) samples with limited user involvement.. Additional resources include i) two laser systems dedicated for studies of photoreceptors or other photochemical systems, ii) a high-pressure system for acquiring NMR data at pressures up to 2500 bar, and iii) 1.6-mm HXY magic-angle-spinning (MAS) probe for solid-state NMR experiments, capable of sample MAS rates of up to 40 kHz, for use with the 600 MHz spectrometer.. To view a full list of the ...
Despite their importance for biological activity, slower molecular motions beyond the nanosecond range remain poorly understood. We have assembled an unprecedented set of experimental NMR data, comprising up to 27 residual dipolar couplings per amino acid, to define the nature and amplitude of backbone motion in protein G using the Gaussian axial fluctuation model in three dimensions. Slower motions occur in the loops, and in the beta-sheet, and are absent in other regions of the molecule, including the alpha-helix. In the beta-sheet an alternating pattern of dynamics along the peptide sequence is found to form a long-range network of slow motion in the form of a standing wave extending across the beta-sheet, resulting in maximal conformational sampling at the interaction site. The alternating nodes along the sequence match the alternation of strongly hydrophobic side chains buried in the protein core. Confirmation of the motion is provided through extensive cross-validation and by independent ...
Properties of Mixtures of Cholesterol with Phosphatidylcholine or with Phosphatidylserine Studied by 13C Magic Angle Spinning Nuclear Magnetic Resonance Academic Article ...
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts of 4-TERT.-BUTYL-2,2,6,6-TETRAMETHYL-1-PHENYL-4-PHOSPHORINANOL-1-OXIDE with properties.
Preface XV. 1 Introduction 1. 1.1 Literature 8. 1.2 Units and Constants 9. References 10. Part I Basic Principles and Applications 11. 2 The Physical Basis of the Nuclear Magnetic Resonance Experiment.. Part I 13. 2.1 The Quantum Mechanical Model for the Isolated Proton 13. 2.2 Classical Description of the NMR Experiment 16. 2.3 Experimental Verification of Quantized Angular Momentum and of the Resonance Equation 17. 2.4 The NMR Experiment on Compact Matter and the Principle of the NMR Spectrometer 19. 2.4.1 How to Measure an NMR Spectrum 19. 2.5 Magnetic Properties of Nuclei beyond the Proton 25. References 27. 3 The Proton Magnetic Resonance Spectra of Organic Molecules - Chemical Shift and Spin-Spin Coupling 29. 3.1 The Chemical Shift 29. 3.1.1 Chemical Shift Measurements 32. 3.1.2 Integration of the Spectrum 35. 3.1.3 Structural Dependence of the Resonance Frequency - A General Survey 37. 3.2 Spin-Spin Coupling 41. 3.2.1 Simple Rules for the Interpretation of Multiplet Structures 46. 3.2.2 ...
TY - JOUR. T1 - Quantum correlations and number theory. AU - Boos, H. E.. AU - Korepin, V. E.. AU - Nishiyama, Y.. AU - Shiroishi, M.. PY - 2002/5/24. Y1 - 2002/5/24. N2 - We study the spin-1/2 Heisenberg XXX antiferromagnet for which the spectrum of the Hamiltonian was found by Bethe in 1931. We study the probability of the formation of ferromagnetic string in the antiferromagnetic ground state, which we call emptiness formation probability P(n). This is the most fundamental correlation function. We prove that, for short strings, it can be expressed in terms of the Riemann zeta function with odd arguments, logarithm In 2 and rational coefficients. This adds yet another link between statistical mechanics and number theory. We have obtained an analytical formula for P(5) for the first time. We have also calculated P(n) numerically by the density matrix renormalization group. The results agree quite well with the analytical results. Furthermore, we study the asymptotic behaviour of P(n) at finite ...
Spectral resolution in proton NMR spectroscopy is reduced by the splitting of resonances into multiplets due to the effect of homonuclear scalar couplings. Although these effects are often hidden in protein NMR spectroscopy by low digital resolution and routine apodization, behind the scenes homonuclear scalar couplings increase spectral overcrowding. The possibilities for biomolecular NMR offered by new pure shift NMR methods are illustrated here. Both resolution and sensitivity are improved, without any increase in experiment time. In these experiments, free induction decays are collected in short bursts of data acquisition, with durations short on the timescale of J-evolution, interspersed with suitable refocusing elements. The net effect is real-time (t (2)) broadband homodecoupling, suppressing the multiplet structure caused by proton-proton interactions. The key feature of the refocusing elements is that they discriminate between the resonances of active (observed) and passive (coupling ...
The NMR team (Manfred Wagner and Robert Graf) is inviting all of you interested in NMR to a series of short lectures on NMR spectroscopy given from April 3rd to April 5th 2017 in the Staudinger hall.. 3.4.2017. 9.30 - 10.30: 1. Introduction to NMR Spectroscopy. 10.45 - 11.45: 2. Quantitative NMR Spectroscopy (qNMR). 13.30 - 14.30: 3. Heteronuclear NMR (1D). 14.45 - 15.45: 4. 2D COSY, NOESY, TOCSY, ROESY….. 4.4.2017. 9.30 - 10.30: 5. 2D HSQC, HMQC, HMBC, HSQC-NOESY….. 10.45 - 11.45: 6. Diffusion NMR. 13.30 - 14.30: 7. Distance Determination via NMR Spectroscopy. 14.45 - 15.45: 8. Relaxation Measurements (T1, T2), Dynamic, Mobility….. 5.4.2017. 9.30 - 10.30: 9. Introduction to Solid State NMR Spectroscopy. 10.45 - 11.45: 10. Some Basic Experiments: CP-MAS, Double-Quantum NMR, …. 13.00 - 14.00: 11. Molecular Motions in the Solid State. ...
The ultra-fast magic angle spinning capabilities of Brukers 111 kHz MAS probe allows for the direct and high resolution observation of proton resonances from complex biomolecules, stated Professor Lyndon Emsley from the Ecole Normale Supérieure de Lyon, France. He continued: We get double the resolution in protonated samples compared to 60 kHz spinning, and we were especially pleased to obtain a 1 GHz version of this break-through MAS probe, with which we have measured never-before-seen ultra-high field, ultra-fast MAS data. As such, it is a great new tool in our solid-state NMR arsenal for the structure determination of proteins, a critical need for studying disease mechanisms ...
Chemical shift perturbation (CSP, chemical shift mapping or complexation-induced modifications in chemical shift, CIS) follows modifications within the chemical shifts of a protein when a ligand is added, and makes use of these to decide the placement of the binding web site, the affinity of the ligand, and/or presumably the construction of the advanced. A key consider figuring out the looks of spectra throughout a titration is the change price between free and certain, or extra particularly the off-rate koff. When koff is bigger than the chemical shift distinction between free and certain, which generally equates to an affinity Kd weaker than about 3μM, then change is quick on the chemical shift timescale.. Under these circumstances, the noticed shift is the population-weighted common of free and certain, which permits Kd to be decided from measurement of peak positions, offered the measurements are made appropriately. (1)H shifts are influenced to a big extent by through-space interactions, ...
Strukturer af Supramolekylær protein forsamlinger på atomare opløsning er for høj relevans på grund af deres afgørende roller i en...
He is known for his work in nuclear magnetic resonance and developing high-field dynamic nuclear polarisation (DNP) for the ... In 2018, he received the Bijvoet Medal of the Bijvoet Center for Biomolecular Research of Utrecht University "Griffin Page". ... "Laukien Prize Past Recipients (2007)". Experimental Nuclear Magnetic Resonance Conference. Archived from the original on 15 May ... He was awarded the ISMAR (International Society of Magnetic Resonance ) Prize in 2010 and the Günther Laukien Prize for NMR ...
Torchia, Dennis A. (2012). "Adventures in Biomolecular NMR". Encyclopedia of Magnetic Resonance. John Wiley & Sons. doi:10.1002 ... He received the Eastern Analytical Symposium Award for Outstanding Achievement in Nuclear Magnetic Resonance in 2013. " ... CS1 maint: discouraged parameter (link) "2013 EAS Award for Outstanding Achievements in Nuclear Magnetic Resonance". Eastern ... Progress in Nuclear Magnetic Resonance Spectroscopy. 84-85: 14-32. doi:10.1016/j.pnmrs.2014.11.001. PMC 4325279. PMID 25669739 ...
SHIFTCOR Protein structure database NMR Nuclear magnetic resonance spectroscopy Protein nuclear magnetic resonance spectroscopy ... 1995). "1H, 13C and 15N chemical shift referencing in biomolecular NMR". Journal of Biomolecular NMR. 6 (2): 135-40. doi: ... Wishart, DS (Feb 2011). "Interpreting protein chemical shift data". Progress in Nuclear Magnetic Resonance Spectroscopy. 58 (1- ... Incorrect chemical shift referencing is a particularly acute problem in biomolecular NMR. It has been estimated that up to 20% ...
Fluorine compounds are highly amenable to nuclear magnetic resonance (NMR), because fluorine-19 has a nuclear spin of 1⁄2, a ... Annual Review of Biophysics and Biomolecular Structure. 25: 163-195. doi:10.1146/annurev.bb.25.060196.001115. PMC 2899692. PMID ... Nelson, J. H. (2003). Nuclear magnetic resonance spectroscopy. Prentice Hall. pp. 129-139. ISBN 978-0-13-033451-0. Danielson, ... Magnetic Resonance in Medicine. 39 (1): 85-88. doi:10.1002/mrm.1910390114. PMID 9438441. Gabriel, J. L.; Miller, T. F.; Wolfson ...
His research focuses on the study of biological systems with solid-state nuclear magnetic resonance. He is a member of the ... Since 2005, his research group investigates complex biomolecular systems such as membrane proteins within the native lipid ... 2014: one of six awardees of the Günther Laukien Prize, awarded annually at the Experimental Nuclear Magnetic Resonance ... in the field of nuclear magnetic resonance spectroscopy (NMR). After his work as a postdoctoral researcher with Geoffrey ...
He is especially known for his work in the field of structural biology using solid-state nuclear magnetic resonance (ssNMR) ... From 2016 tp 2019 he was scientific director of the Bijvoet Centre for Biomolecular Research. Marc Baldus is an expert in the ... Marc Baldus received the Founders Medal of the International Conference on Magnetic Resonance in Biological Systems (ICMRBS) in ... field of structural biology using solid-state nuclear magnetic resonance (ssNMR) spectroscopy. In addition, he develops ...
... is a branch of biomolecular nuclear magnetic resonance spectroscopy that aims to accurately ... NMR chemical shifts are often called the mileposts of nuclear magnetic resonance spectroscopy. Chemists have used chemical ... Progress in Nuclear Magnetic Resonance Spectroscopy. 58 (1-2): 62-87. doi:10.1016/j.pnmrs.2010.07.004. PMID 21241884. Neal, S; ... Case, DA (Oct 1998). "The use of chemical shifts and their anisotropies in biomolecular structure determination". Current ...
Magnetic dipole-dipole interaction Residual chemical shift anisotropy (rCSA) Solid-state nuclear magnetic resonance (ssNMR) ... The resulting so-called residual anisotropic magnetic interactions are becoming increasingly important in biomolecular NMR ... Yannoni, C. S.; Ceasar, G. P.; Dailey, B. P. (1967). "Nuclear magnetic resonance spectrum of oriented (cyclobutadiene)iron ... 1964) Snyder, L. C. (1965). "Analysis of Nuclear Magnetic Resonance Spectra of Molecules in Liquid-Crystal Solvents". The ...
A microarray of nuclear magnetic resonance microcoils is under development. A large number of technologies underlie the ... microarray platform, including the material substrates, spotting of biomolecular arrays, and the microfluidic packaging of the ... Once fed magnetic nanoparticles, individual cells can be moved independently and simultaneously on a microarray of magnetic ...
Nuclear Magnetic Resonance (NMR) Core Facility :home to two Bruker NMR spectrometers, an 800 MHz (18.8 teslas) and 600 MHz ( ... Biacore 3000 Surface Plasmon Resonance (SPR) Spectrometer:a facility using SPR to measure biomolecular interactions. Zebrafish ...
... known for developing nuclear magnetic resonance (NMR) methods for studying biological macromolecules. Born in Aarberg, ... Wüthrich, Kurt (2003). "Kurt Wüthrich: biographical note". Journal of Biomolecular NMR. 27 (1): 1-12. doi:10.1023/A: ... "his development of nuclear magnetic resonance spectroscopy for determining the three-dimensional structure of biological ... his time as a postdoc in Berkeley he began working with the newly developed and related technique of nuclear magnetic resonance ...
A transgenic fly facility A Microfluidics and microfabrication facility Mouse genome editing Nuclear magnetic resonance ... Confocal and fluorescence microscopy Flow cytometry Mass Spectrometry and Biomolecular characterization through proteomics, ...
Rourkela on nuclear magnetic resonance and is credited with pioneering research on biomolecular nuclear magnetic resonance, ... Nuclear magnetic resonance spectroscopy Tata Institute of Fundamental Research India portal "INSA". INSA. 2014. Retrieved 30 ... known for his expertise in the areas of nuclear magnetic resonance and molecular biophysics. The Government of India honoured ... of the institute from 2002 till 2004 and is the Convener for the National Facility for High Field Nuclear Magnetic Resonance ...
Paris-en-Resonance[edit]. Paris-en-Résonance establishes a new nuclear magnetic resonance platform in Paris. Based in the ... Paris-en-Résonance opens up new prospects in biomolecular and matter research. ... The equipment includes a dynamic nuclear polarisation mechanism, which increases its sensitivity. ...
Protein and nucleic acid structures can be determined using either nuclear magnetic resonance spectroscopy (NMR) or X-ray ... Biomolecular structure is the intricate folded, three-dimensional shape that is formed by a molecule of protein, DNA, or RNA, ... Biomolecular structure prediction is the prediction of the three-dimensional structure of a protein from its amino acid ... Biomolecular design can be considered the inverse of structure prediction. In structure prediction, the structure is determined ...
X-ray Diffraction Nuclear Magnetic Resonance Bioimaging Network Animal Care Flow Cytometry Internet2 Video-Conferencing Hunter ... The research fields of Gene Center members are: Bioinformatics Gene Expression and Signal Transduction Biomolecular Theory and ... and psychologists researching biomolecular structure, interactions and their effects on gene function. The current Program ...
Alternatively, virtual computer simulation models or expensive nuclear magnetic resonance methods were used to visualize the ... Examples of biomolecular machines are nucleosomes which enable the DNA, a two meter long carrier of genetic information, to ... For example, biomolecular machines (BMM) are highly complex nanostructures consisting of several large molecules and which are ... is possible for the first time to make hidden proteins or nucleic acids of a 3D-molecule complex of the so-called biomolecular ...
... of Biomolecular NMR publishes research on technical developments and innovative applications of nuclear magnetic resonance ... 13C and 15N chemical shift referencing in biomolecular NMR". Journal of Biomolecular NMR. 6 (2): 135-140. doi:10.1007/ ... Journal of Biomolecular NMR. 6 (3): 277-293. doi:10.1007/BF00197809. - cited 9,252 times. Laskowski, R.A.; Rullmann, J.C.; ... Journal of Biomolecular NMR. 2 (6): 661-665. doi:10.1007/BF02192855. - cited 3,199 times. Cornilescu, G.; Delaglio, F.; Bax, A ...
Wishart, DS (Feb 2011). "Interpreting protein chemical shift data". Progress in Nuclear Magnetic Resonance Spectroscopy. 58: 62 ... RefDB provides a standard chemical shift resource for biomolecular NMR spectroscopists, wishing to derive or compute chemical ... Journal of Biomolecular NMR. 32: 13-22. doi:10.1007/s10858-005-1717-0. PMID 16041479.. ...
In 1987 he published with Richard R. Ernst and Alexander Wokaun Principles of Nuclear Magnetic Resonance in One and Two ... in Paris and professeur honoraire at the Laboratory of Biomolecular Magnetic Resonance of the École Polytechnique Fédérale de ... Geoffrey Bodenhausen (born 1951) is a French chemist specializing in nuclear magnetic resonance, being highly cited in his ... Grant, David M. (1996-06-03). Encyclopedia of Nuclear Magnetic Resonance, Historical Perspectives lyear=1996. p. 299. ISBN ...
... which are crucial in the structural analysis of biomolecular structure. By means of isotope labeling schemes or radio-frequency ... Principles of Nuclear Magnetic Resonance in One and Two Dimensions Hartmann, S.R.; Hahn, E.L. (1962). "Nuclear Double Resonance ... The resonance frequency of a nuclear spin depends on the strength of the magnetic field at the nucleus, which can be modified ... See also: nuclear magnetic resonance or NMR spectroscopy articles for an account on discoveries in NMR and NMR spectroscopy in ...
It is used in the fields of X-ray crystallography and nuclear magnetic resonance spectroscopy of proteins (NMR) analysis. X- ... Biomolecular NMR spectroscopy. Advances in Biomedical Spectroscopy. 3. Amsterdam: IOS Press. p. 341. doi:10.3233/978-1-60750- ... with specific emphasis on X-ray crystallography and nuclear magnetic resonance spectroscopy in solution of biological macro- ...
"Integrative NMR for biomolecular research". Journal of Biomolecular NMR. 64 (4): 307-332. doi:10.1007/s10858-016-0029-x. ISSN ... NMR spectroscopy Nuclear magnetic resonance Nuclear magnetic resonance spectroscopy of carbohydrates Nuclear magnetic resonance ... In order to analyze the nuclear magnetic resonance data, it is important to get a resonance assignment for the protein, that is ... and nuclear Overhauser effect spectroscopy (NOESY). A two-dimensional nuclear magnetic resonance experiment produces a two- ...
31P triple resonance experiments for sequential backbone correlations in nucleic acids". Journal of Biomolecular NMR. 5 (3): ... Triple resonance experiments are a set of multi-dimensional nuclear magnetic resonance spectroscopy (NMR) experiments that link ... These triple resonance experiments utilize the relatively large magnetic couplings between certain pairs of nuclei to establish ... The intra-residue resonances are usually stronger than the inter-residues one. This experiment correlates the resonances of the ...
... shift re-referencing is a chemical analysis method for chemical shift referencing in biomolecular nuclear magnetic resonance ( ... Wishart, DS (Feb 2011). "Interpreting protein chemical shift data". Progress in Nuclear Magnetic Resonance Spectroscopy. 58 (1- ... 1995). "1H, 13C and 15N chemical shift referencing in biomolecular NMR". Journal of Biomolecular NMR. 6 (2): 135-40. doi: ... Because of the magnitude and severity of the problems with chemical shift referencing in biomolecular NMR, a number of computer ...
Restraints derived from all current solution and many solid state nuclear magnetic resonance (NMR) and X-ray scattering ... Xplor-NIH is a highly sophisticated and flexible biomolecular structure determination program which includes an interface to ... Progress in Nuclear Magnetic Resonance Spectroscopy. 48 (1): 47-62. doi:10.1016/j.pnmrs.2005.10.001. Schwieters, CD; Clore, GM ... Progress in Nuclear Magnetic Resonance Spectroscopy. 80: 1-11. doi:10.1016/j.pnmrs.2014.03.001. PMC 4057650. PMID 24924264. ...
Clore, G. Marius (2011). "Adventures in Biomolecular NMR". Encyclopedia of Magnetic Resonance (PDF). John Wiley & Sons. doi: ... Carbon-13 and nitrogen-15 nuclear magnetic resonance[edit]. Main article: Triple-resonance nuclear magnetic resonance ... Resonance assignment[edit]. In order to analyze the nuclear magnetic resonance data, it is important to get a resonance ... Nuclear magnetic resonance spectroscopy of proteins. From Wikipedia, the free encyclopedia. (Redirected from Protein nuclear ...
... electron spin resonance spectroscopy MeSH E05.196.867.519.550 - nuclear magnetic resonance, biomolecular MeSH E05.196.867.576 ... surface plasmon resonance MeSH E05.601.495.320 - immunoblotting MeSH E05.601.495.320.200 - blotting, western MeSH E05.601. ... fluorescence resonance energy transfer MeSH E05.196.712.650 - nephelometry and turbidimetry MeSH E05.196.712.726 - ...
... shift index Protein dynamics Protein NMR NMR Nuclear magnetic resonance spectroscopy Protein nuclear magnetic resonance ... Journal of Biomolecular NMR. 40 (1): 31-48. doi:10.1007/s10858-007-9208-0. PMID 17985196. Mark, Berjanskii; David Wishart (2006 ... 13C, 15 N and 1H secondary chemical shifts are then scaled to account for the characteristic resonance frequencies of these ...
... ; Edward Mills Purcell; Robert V. Pound (1948). "Relaxation effects in nuclear magnetic resonance ... He received the Bijvoet Medal of the Bijvoet Center for Biomolecular Research of Utrecht University in 2001. Bloembergen shared ... Purcell and his graduate students Torrey and Pound discovered nuclear magnetic resonance (NMR). Bloembergen was hired to ... Bloembergen returned to the Netherlands in 1947, and submitted his thesis Nuclear Magnetic Relaxation at the University of ...
Assignments as a Basis for Determination of Spatial Protein Structures by High Resolution Proton Nuclear Magnetic Resonance" ( ... Annual Review of Biophysics and Biomolecular Structure 29. Páxs. 291-325.. *↑ Berg, J. M.; et al. (2002). "7 - Exploring ... "Proceedings of the Workshop on Software Engineering, Artificial Intelligence and Expert Systems for High Energy and Nuclear ... Wüthrich publica o método de utilización da resonancia magnética nuclear (RMN) para determinar estruturas de proteínas;[38] ...
Nuclear magnetic resonance (NMR) spectroscopy is the most commonly used technique, often permitting complete assignment of atom ... Biomolecular chemistry is a major category within organic chemistry which is frequently studied by biochemists. Many complex ... the structure of which was formulated by Kekulé who first proposed the delocalization or resonance principle for explaining its ...
The nearest competing method in number of structures analyzed is nuclear magnetic resonance (NMR) spectroscopy, which has ... Rupp B (2009). Biomolecular Crystallography: Principles, Practice and Application to Structural Biology. New York: Garland ... "A profile refinement method for nuclear and magnetic structures". Journal of Applied Crystallography. 2 (2): 65-71. doi:10.1107 ... Traditionally, nuclear reactors have been used, although sources producing neutrons by spallation are becoming increasingly ...
Relatively inexpensive compared to other modes of investigation, such as computed X-ray tomography, DEXA or magnetic resonance ... "Journal of Nuclear Medicine. 51 (3): 433-40. doi:10.2967/jnumed.109.068007. PMC 4111897. PMID 20150258.. ... such targeted microbubbles specifically bind or adhere to tumoral microvessels by targeting biomolecular cancer expression ( ... Lindner, JR (2004). "Molecular imaging with contrast ultrasound and targeted microbubbles". Journal of Nuclear Cardiology. 11 ( ...
Nuclear magnetic resonance spectroscopy is the primary technique for determining chemical structures of natural products. NMR ... Journal of Biomolecular Screening. 2014;19(3):399-406. https://doi.org/10.1177/1087057113497095. ... The Identification of Naturally Occurring Neoruscogenin as a Bioavailable, Potent, and High-Affinity Agonist of the Nuclear ... The Identification of Naturally Occurring Neoruscogenin as a Bioavailable, Potent, and High-Affinity Agonist of the Nuclear ...
The following two laws govern the dynamics of charged particles in electric and magnetic fields in vacuum: F. =. Q. (. E. +. v ... Ion cyclotron resonance (ICR) is an older mass analysis technique similar to FTMS except that ions are detected with a ... "Journal of Biomolecular Techniques. 13 (2): 56-61. PMC 2279851. PMID 19498967.. ... Nuclear chemistry *Radiochemistry. *Radiation chemistry. *Actinide chemistry. *Cosmochemistry / Astrochemistry / Stellar ...
... and nuclear magnetic resonance spectroscopy. These models are associated with electrophysiological measurements and ... Biomolecular Chemistry. 6 (13): 2242-55. doi:10.1039/b719950c. PMID 18563254.. ... Magnetic resonance imaging (MRI) is a powerful tool for disease diagnosis such as cancer metastasis and inflammation, using ... displaying an overall decreasing concentration of contrast agent and a decrease of magnetic resonance (MR) signal in time. This ...
Progress in Nuclear Magnetic Resonance Spectroscopy • Small • Soft Matter • Tetrahedron: Asymmetry • Theoretical Chemistry ... Open Organic Chemistry Journal • Organic & Biomolecular Chemistry • Organic Chemistry International • Organic Letters • Organic ... Magnetic Resonance in Chemistry • Microporous and Mesoporous Materials • Molecular Physics • Molecular Simulation • Nature ...
Wüthrich was honored for his work in developing nuclear magnetic resonance techniques to analyze similar molecules in solution. ... He was awarded the Association of Biomolecular Resource Facilities Award for outstanding contributions to Biomolecular ...
Biomolecular NMR spectroscopy[edit]. Proteins[edit]. Main article: Nuclear magnetic resonance spectroscopy of proteins ... "Diffusion ordered nuclear magnetic resonance spectroscopy: principles and applications". Progress in Nuclear Magnetic Resonance ... Nuclear magnetic resonance spectroscopy, most commonly known as NMR spectroscopy or magnetic resonance spectroscopy (MRS), is a ... There are even benchtop nuclear magnetic resonance spectrometers. NMR can be observed in magnetic fields less than a millitesla ...
Karplus, Martin (1963). "Vicinal Proton Coupling in Nuclear Magnetic Resonance". 》J. Am. Chem. Soc.》 85 (18): 2870-2871. doi: ... "CHARMM: the biomolecular simulation program.". 》Journal of computational chemistry》 30 (10): 1545-614. doi:10.1002/jcc.21287. ... Karplus, Martin (1959). "Contact Electron-Spin Coupling of Nuclear Magnetic Moments". 》J. Chem. Phys.》 30 (1): 11-15. Bibcode: ...
... or magnetic resonance imaging. Incisional biopsies are obtained through diagnostic surgical procedures that remove part of a ... The large cell in the top center is an abnormal erythroblast: it is multinucleated, with megaloblastoid nuclear chromatin This ... Biomolecular complex , Molecule (Macromolecule, Biomolecule) , Atom ... magnetic resonance imaging, medical ultrasonography (or ultrasound), endoscopy, elastography, tactile imaging, thermography, ...
Nuclear magnetic resonance (NMR) and mass spectrometry (MS) are used to investigate the mechanisms of chemical reactions. NMR ... Journal of Biomolecular Labeling. 20 (1): 71-75. doi:10.1023/a:1011254402785. PMID 11430757. S2CID 7811948.. ... As opposed to nuclear magnetic resonance, mass spectrometry (MS) is another method that is more applicable and sensitive to ... Nuclear magnetic resonance detects atoms with different gyromagnetic ratios. The radioactive decay can be detected through an ...
magnetic resonance therapy. *by electromagnetic radiation (EMR): *by light: light therapy (phototherapy) *ultraviolet light ... by specific biomolecular targets: targeted therapy *molecular chaperone therapy. *by chelation: chelation therapy ...
Magnetic moment. Main articles: Electron magnetic moment and Nuclear magnetic moment. Elementary particles possess an intrinsic ... Magnetic Resonance Imaging. vol. 2. John Wiley & Sons. pp. 412-426. ISBN 978-0-471-13946-1. .. ... Biomolecular complex , Macromolecule , Biomolecule ... This has important applications in magnetic resonance imaging.[ ... The magnetic field produced by an atom-its magnetic moment-is determined by these various forms of angular momentum, just as a ...
Nuclear magnetic resonance (NMR) spectroscopy identifies different nuclei based on their chemical environment. This is the most ... Biomolecular chemistry is a major category within organic chemistry which is frequently studied by biochemists. Many complex ... the structure of which was formulated by Kekulé who first proposed the delocalization or resonance principle for explaining its ...
"Deuterium and phosphorus nuclear magnetic resonance and fluorescence depolarization studies of functional reconstituted ... "Bijvoet Medal". Bijvoet Center for Biomolecular Research. Archived from the original on 2017-09-12. Retrieved 2017-09-12. CS1 ... His second field of research was magnetic resonance imaging (MRI) and magnetic resonance spectroscopy (MRS) in the human and ... deuterium and phosphorus nuclear magnetic resonance, neutron diffraction and calorimetric methods. The quantitative ...
... nuclear magnetic resonance, x-ray crystallography, surface plasmon resonance, electron paramagnetic resonance, cross-linking ... Annual Review of Biophysics and Biomolecular Structure. 32: 115-33. doi:10.1146/annurev.biophys.32.110601.142506. PMC 1564333. ...
31P-NMR(nuclear magnetic resonance) spectroscopy is widely used for studies of phospholipid bilayers and biological membranes ... Annual Review of Biophysics and Biomolecular Structure. 36 (1): 107-130. doi:10.1146/annurev.biophys.36.040306.132643. PMID ... neutron scattering and nuclear magnetic resonance techniques. The first region on either side of the bilayer is the hydrophilic ... The cell membranes of almost all organisms and many viruses are made of a lipid bilayer, as are the nuclear membrane ...
This exception arises due to competing horizontal and vertical trends in the nuclear charge. Going along a period, the nuclear ... 805-807 Kopp JG, Lipták BG & Eren H 000, 'Magnetic Flowmeters', in BG Lipták (ed.), Instrument Engineers' Handbook, 4th ed., ... Resonance-Ionization Mass Spectrometry of Carbon', Journal of the Optical Society of America B, vol. 2, no. 9, pp. 1561-5, doi: ... Biomolecular Chemistry, vol. 8, pp. 4203-16, doi:10.1039/C0OB00086H Bagnall KW 1957, Chemistry of the Rare Radioelements: ...
... pioneering physical chemist who worked on nuclear magnetic resonance, electron spin resonance, and the microwave spectroscopy ... Gilbert Newton Lewis Professor of Chemical and Biomolecular Engineering and Dean of College of Chemistry, University of ... and nuclear power plants; member of National Academy of Engineering and fellow of American Academy of Arts and Science William ... leading nuclear physicist who made major contributions to study of neutrinos; member of National Academy of Sciences Harold ...
... including applications in X-ray crystallography and nuclear magnetic resonance spectroscopy of proteins to determine structures ... Design: Brenneman, Arwen; Condon, Anne (25 September 2002). "Strand design for biomolecular computation". Theoretical Computer ... Fluorescent labeling and Förster resonance energy transfer (FRET) are sometimes used to characterize the structure of the ... Methods: Walter, N. G. (1 February 2003). "Probing RNA structural dynamics and function by fluorescence resonance energy ...
Progress in Nuclear Magnetic Resonance Spectroscopy. 80: 1-11. doi:10.1016/j.pnmrs.2014.03.001. PMC 4057650. PMID 24924264.CS1 ... Clore is one of the most highly cited scientists in the fields of molecular biophysics, structural biology, biomolecular NMR ... Journal of Magnetic Resonance. 160 (1): 65-73. Bibcode:2003JMagR.160...65S. doi:10.1016/S1090-7807(02)00014-9. PMID 12565051. ... Elected Fellow of the International Society of Magnetic Resonance 2010: Elected Fellow of the American Academy of Arts and ...
He has also been influential in nuclear magnetic resonance spectroscopy, particularly to the understanding of nuclear spin-spin ... Annual Review of Biophysics and Biomolecular Structure. 35: 1-47. doi:10.1146/annurev.biophys.33.110502.133350. PMID 16689626. ... Karplus equation describing the correlation between coupling constants and dihedral angles in proton nuclear magnetic resonance ... coupling and electron spin resonance spectroscopy. The ...
Wishart, D.S.; Sykes, B.D.; Richards, F.M. (1991). "Relationship between nuclear magnetic resonance chemical shift and protein ... Annual Review of Biophysics and Biomolecular Structure. 26: 1-25. doi:10.1146/annurev.biophys.26.1.1. PMID 9241411. Lim WA ( ... the nuclear magnetic resonance (NMR) chemical shift index, and structural and biophysical characterization of the effects of ...
Relatively inexpensive compared to other modes of investigation, such as computed X-ray tomography, DEXA or magnetic resonance ... Lindner, JR (2004). "Molecular imaging with contrast ultrasound and targeted microbubbles". Journal of Nuclear Cardiology. 11 ( ... such targeted microbubbles specifically bind or adhere to tumoral microvessels by targeting biomolecular cancer expression ( ... who was then a graduate student at the University's department of nuclear physics. Edler had asked Hertz if it was possible to ...
With nuclear magnetic resonance (NMR) spectra the observed chemical shift value, δ, arising from a given atom contained in a ... Molecular and Biomolecular Spectroscopy. 62 (4-5): 886-895. Bibcode:2005AcSpA..62..886G. doi:10.1016/j.saa.2005.03.021. PMID ... Nuclear magnetic resonance (NMR) is one of the most powerful spectroscopic techniques in analytical chemistry. It is an ... Cesium-137 is radioactive and there is a need to remove it from nuclear waste in an efficient manner. Host-guest chemistry has ...
Solid State Nuclear Magnetic Resonance and Biomolecular Section. of the Laboratory of Chemical Physics ...
Biological context of Nuclear Magnetic Resonance, Biomolecular. *Anatomical context of Nuclear Magnetic Resonance, Biomolecular ... Associations of Nuclear Magnetic Resonance, Biomolecular with chemical compounds. *Gene context of Nuclear Magnetic Resonance, ... Disease relevance of Nuclear Magnetic Resonance, Biomolecular. *High impact information on Nuclear Magnetic Resonance, ... High impact information on Nuclear Magnetic Resonance, Biomolecular. *A two-dimensional heteronuclear nuclear magnetic ...
Nuclear Magnetic Resonance Powerful structural and analytical methodologies which are capable of providing atomic level ... Biomolecular Analysis A range of technologies to structurally analyse molecules, genomes and commercially valuable compounds ...
Biomolecular NMR spectroscopy[edit]. Proteins[edit]. Main article: Nuclear magnetic resonance spectroscopy of proteins ... "Diffusion ordered nuclear magnetic resonance spectroscopy: principles and applications". Progress in Nuclear Magnetic Resonance ... Nuclear magnetic resonance spectroscopy, most commonly known as NMR spectroscopy or magnetic resonance spectroscopy (MRS), is a ... There are even benchtop nuclear magnetic resonance spectrometers. NMR can be observed in magnetic fields less than a millitesla ...
... benefit society at the Institute of Biomedical and Biomolecular Sciences at the University of Portsmouth ... Nuclear Magnetic Resonance (NMR) Spectrometer. *Fourier-transform Infra-red (FTIR) Spectrometer (Research) / Raman Spectrometer ... At the Institute of Biomedical and Biomolecular Sciences (IBBS), we discover, understand and develop knowledge of health and ... REF 2014 assessed 100% of our Institute of Biomedical and Biomolecular Sciences research as outstanding or very considerable ...
... and recent policies affecting the deposition of biomolecular NMR data. All PDB depositions of structures based on NMR data must ... Nuclear Magnetic Resonance, Biomolecular* * Protein Conformation * Research Design* ... BioMagResBank (BMRB) as a partner in the Worldwide Protein Data Bank (wwPDB): new policies affecting biomolecular NMR ... and recent policies affecting the deposition of biomolecular NMR data. All PDB depositions of structures based on NMR data must ...
Understanding biomolecular function. Nuclear magnetic resonance methods provide unique insights into the structure, dynamics, ... Nuclear magnetic resonance (NMR) can determine both structure and dynamics of biomolecules and their complexes in solution. ... Our research is focused on problems in structural biology where NMR can yield unique new information on biomolecular structure ... This makes it possible to understand biomolecular function at a fundamental level and also to develop strategies for ...
31P triple resonance experiments for sequential backbone correlations in nucleic acids". Journal of Biomolecular NMR. 5 (3): ... Triple resonance experiments are a set of multi-dimensional nuclear magnetic resonance spectroscopy (NMR) experiments that link ... These triple resonance experiments utilize the relatively large magnetic couplings between certain pairs of nuclei to establish ... The intra-residue resonances are usually stronger than the inter-residues one. This experiment correlates the resonances of the ...
"Integrative NMR for biomolecular research". Journal of Biomolecular NMR. 64 (4): 307-332. doi:10.1007/s10858-016-0029-x. ISSN ... NMR spectroscopy Nuclear magnetic resonance Nuclear magnetic resonance spectroscopy of carbohydrates Nuclear magnetic resonance ... In order to analyze the nuclear magnetic resonance data, it is important to get a resonance assignment for the protein, that is ... and nuclear Overhauser effect spectroscopy (NOESY). A two-dimensional nuclear magnetic resonance experiment produces a two- ...
Clore, G. Marius (2011). "Adventures in Biomolecular NMR". Encyclopedia of Magnetic Resonance (PDF). John Wiley & Sons. doi: ... Carbon-13 and nitrogen-15 nuclear magnetic resonance[edit]. Main article: Triple-resonance nuclear magnetic resonance ... Resonance assignment[edit]. In order to analyze the nuclear magnetic resonance data, it is important to get a resonance ... Nuclear magnetic resonance spectroscopy of proteins. From Wikipedia, the free encyclopedia. (Redirected from Protein nuclear ...
Biomolecular nuclear magnetic resonance (NMR) spectroscopy allows the characterisation of structural and dynamic properties of ... Progress in Nuclear Magnetic Resonance Spectroscopy 48: 137-159. James TL (ed.) (1995) Methods in Enzymology: Nuclear Magnetic ... 15 nuclear magnetic resonance spectroscopy of 15N‐labeled nucleotides. Journal of Magnetic Resonance 29: 45-63. ... Biomolecular nuclear magnetic resonance (NMR) spectroscopy allows the characterisation of structural and dynamic properties of ...
Journal of Biomolecular NMR" on DeepDyve, the largest online rental service for scholarly research with thousands of academic ... Enhancement of nuclear magnetic resonance signals by polarization transfer. Morris, GA; Freeman, R ... Remove Journal from My Library Journal of Biomolecular NMR , Volume 69 (3) - Nov 10, 2017 ... Consequently, sharp and well-resolved 15Nη resonances can be observed. The utility of the presented method is demonstrated on ...
Solution Structure of Neocarzinostatin Determined by Homonuclear Two-Dimensional Nuclear Magnetic Resonance. Neocarzinostatin: ... differential scanning calorimetry and surface plasmon resonance, to investigate the mechanism of complex formation. In ...
High field (800 MHz and 500 MHz) spectrometers for biomolecular NMR. Both are 3-channel multinuclear instruments and are ... The nuclear magnetic resonance spectroscopy facility at UEA enables structural and dynamic studies on substances ranging from ... Nuclear Magnetic Resonance (NMR) encompasses several powerful structural and analytical methodologies which are capable of ... To derive such information this technique has to overcome the effect of anisotropic magnetic interactions which, although ...
Nuclear Magnetic Resonance, Biomolecular * Protein Binding * Protein Structure, Secondary * Protein Structure, Tertiary ...
... nuclear magnetic resonance, x-ray diffraction, cryo-electron microscopy, methods in biomolecular interactions studies , methods ... Structural analysis using nuclear magnetic resonance, x-ray difraction and cryo-electron microscopy. Glycobiochemistry. ... The study program Biomolecular chemistry and bioinformatics includes knowledge about the structure of biologically important ... but creative thinkers with a broad overview of the field of biomolecular chemistry and bioinformatics with good foundations in ...
Pho?hate metabolism in intact human erythrocytes: determination by P Nuclear Magnetic Resonance spectroscopy. Proc. Natl. Acad ... Bio-molecular structure and function. P.F. Agris, ed., Academic Press, New York, Pp. 225-231, (1978).Google Scholar ... Phosphate metabolism in intact human erythrocytes investigated with phosphorus nuclear magnetic resonance (P NMR) spectroscopy ... Determination of intracellular pH by P magnetic resonance. J. Biol. Chem. 248: 7276-7278, (1973).Google Scholar ...
Progress in Nuclear Magnetic Resonance Spectroscopy, 102-103 . pp. 32-42. ISSN 0079-6565. http://resolver.caltech.edu/ ... Magnetic resonance imaging (MRI); Contrast agents; Biomolecular reporters; Diffusion; Hyperpolarization Record Number:. ... Magnetic resonance imaging (MRI) is a powerful technique for observing the function of specific cells and molecules inside ... Progress in Nuclear Magnetic Resonance Spectroscopy, Volumes 102-103, November 2017, Pages 32-42, ISSN 0079-6565, https://doi. ...
Nuclear Magnetic Resonance Spectroscopy and Magnetic Inequivalence Conference scheduled on May 27-28, 2021 in May 2021 in Tokyo ... Magnetic inequivalence. Correlation spectroscopy. Solid-state nuclear magnetic resonance. Biomolecular NMR spectroscopy. ... Nuclear magnetic resonance spectroscopy. Basic NMR techniques. Applications of nuclear magnetic resonance spectroscopy. Nuclear ... Nuclear Magnetic Resonance Spectroscopy and Magnetic Inequivalence. ICNMRSMI 2021: 15. International Conference on Nuclear ...
K. N. Kirschner, A. B. Yongye, S. M. Tschampel et al., "GLYCAM06: a generalizable biomolecular force field. carbohydrates," ... Glycosaminoglycan Monosaccharide Blocks Analysis by Quantum Mechanics, Molecular Dynamics, and Nuclear Magnetic Resonance. ...
Nuclear Magnetic Resonance, Biomolecular * Protein Conformation Substances * Fungal Proteins * HET-S protein, Podospora ...
Diffusion • Dimerization • Fibronectins • Humans • Hydrogen Bonding • Motion • Nuclear Magnetic Resonance, Biomolecular • ... A novel off-resonance rotating-frame 15N NMR spin relaxation experiment is used to characterize conformational fluctuations ...
The Biomolecular Structure and Function Group advances new measurement methods and modeling tools for structural analysis of ... labeled with stable isotopes play an important role in structural and biophysical studies including nuclear magnetic resonance ... Biomolecular Structure and Function Group. The Biomolecular Structure and Function Group advances new measurement methods and ... www.nist.gov/mml/biomolecular-measurement/biomolecular-structure-and-function-group ...
This journal presents research on technical developments and innovative applications of nuclear magnetic resonance spectroscopy ... This journal presents research on technical developments and innovative applications of nuclear magnetic resonance spectroscopy ... Presents technical developments and innovative applications of nuclear magnetic resonance spectroscopy in the study of ... provides a forum for publishing research on technical developments and innovative applications of nuclear magnetic resonance ...
Biomolecular structure BMRB Restraints Database Nuclear magnetic resonance PDB Abbreviations and symbols. BMRB. BioMagResBank ... Kaptein R, Zuiderweg ERP, Scheek RM, Boelens R, van Gunsteren WF (1985) A protein structure from nuclear magnetic resonance ... Ulrich EL, Markley JL, Kyogoku Y (1989) Creation of a nuclear magnetic resonance data repository and literature database. ... a study using nuclear magnetic resonance and hybrid distance geometry-dynamical simulated annealing. Biochemistry 28:2188-2198 ...
27 Nuclear Magnetic Resonance Spectrometry 933. Vladimir I. Bakhmutov. 28 Biomolecular Structures by Solution Nuclear Magnetic ... 15 Resonance Energy Transfer 533. David L. Andrews and David S. Bradshaw ...
Nuclear Magnetic Resonance, Biomolecular / methods* * Protein Conformation * Proteins / chemistry* * Reproducibility of Results ...
Nuclear Magnetic Resonance, Biomolecular. Chemical. Reg. No./Substance: 0/Coumaric Acids; 0/Flavonoids; 0/Glucosides; 0/Lignans ...
Nuclear Magnetic Resonance, Biomolecular. Stereoisomerism. Transcription Factor AP-1 / drug effects*. Grant Support. ...
Nuclear Magnetic Resonance, Biomolecular. Obesity / metabolism, physiopathology*. Oligonucleotide Array Sequence Analysis. ...
  • The study program Biomolecular chemistry and bioinformatics includes knowledge about the structure of biologically important bio(macro)molecules (proteins nucleic acids, oligosaccharides, etc.), and the relation between their structure and biological function. (muni.cz)
  • The technical facilities allow students regular use of the most modern methods, both experimental (nuclear magnetic resonance, x-ray diffraction, cryo-electron microscopy, methods in biomolecular interactions studies , methods of molecular biology) and computational (quantum chemistry, molecular mechanics and dynamics). (muni.cz)
  • The successful candidate should have a PhD in chemistry, biology or physics and a solid background in solution state biomolecular NMR spectroscopy. (weizmann.ac.il)
  • Professor Gottfried Otting is a Professor within the Research School of Chemistry, where he leads Biomolecular nuclear magnetic resonance (NMR) spectroscopy. (arc.gov.au)
  • Advanced Biophysical Chemistry use different techniques such as nuclear magnetic resonance, electron paramagnetic resonance, x-ray crystallography, ultra-fast spectroscopy, as well as statistical and quantum mechanical theory to study the molecular details of important biological processes, such as: protein-protein and protein-nucleic acid interactions, protein structure and function, enzyme mechanisms, photosynthesis and neuronal transduction. (merlot.org)
  • Chemistry: An overview of advanced techniques at the leading edge of Chemical Biology, including some or all of: biological imaging, kinetics of enzyme inhibition, combinatorial synthesis, atomic force microscopy of biological molecules, self assembling biomimetic structures, oligonucleotide therapeutics, biomolecular X-ray crystallography, computational methods, and nuclear magnetic resonance applied to protein interactions. (mcgill.ca)
  • Magnetic Resonance in chemistry. (aiims.edu)
  • In "Nuclear Magnetic Resonance Spectroscopy in Molecular Biology", Proceedings of the 11th Jerusalem Symposium on Quantum Chemistry and Biochemistry (B. Pullman, ed. (harvard.edu)
  • I want to get the latest chemistry news from C&EN in my inbox every week. (acs.org)
  • 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. (wikipedia.org)
  • However, in large molecules such as proteins the number of resonances can typically be several thousand and a one-dimensional spectrum inevitably has incidental overlaps. (wikipedia.org)
  • They are therefore able to perform an extensive range of powerful state-of-the-art multidimensional NMR experiments required for demanding applications in biomolecular NMR such as 2D, 3D, and 4D triple resonance experiments on isotopically enriched proteins. (uea.ac.uk)
  • Biomolecular NMR also provides valuable information about the interaction between RNA and diverse binding partners such as drugs, peptides, proteins or other nucleic acids. (els.net)
  • In 1990, Ad Bax and coworkers developed the triple resonance technology and experiments on proteins isotopically labelled with 15N and 13C, with the result that the spectra are dramatically simplified, greatly facilitating the process of resonance assignment, and increasing the size of the protein that may be determined by NMR. (wikipedia.org)
  • The quality of molecular dynamics (MD) simulations of proteins depends critically on the biomolecular force field that is used. (springer.com)
  • The project focuses in deciphering the structural bases of the regulation of Nuclear Receptor gene transcription by Intrinsically Disordered co-regulator proteins. (weizmann.ac.il)
  • This project aims to assess the function of proteins by monitoring their motions using new nuclear magnetic resonance (NMR) spectroscopy techniques. (arc.gov.au)
  • Biomolecular nuclear magnetic resonance spectroscopy (NMR) is a very versatile technique that can be used to determine the three dimensional structures of proteins, DNA, RNA, oligosaccharides and small molecules. (gla.ac.uk)
  • 20. K. Wüthrich and G. Wagner: Dynamic aspects of protein conformation studied by nuclear magnetic resonance techniques - Evidence for hydrophobic stability domains in globular proteins. (harvard.edu)
  • Researchers from across the world are invited to study the 3D structures and interactions of proteins, nucleic acids, carbohydrates, lipids and metabolites at the Henry Wellcome Building for Nuclear Magnetic Resonance (HWB-NMR). (birmingham.ac.uk)
  • By using Professor Christoph Cremer`s LIMON 3D in combination with LIMON complex labeling it is possible for the first time to make hidden proteins or nucleic acids of a 3D-molecule complex of the so-called biomolecular machines visible without destroying the complex. (innovations-report.com)
  • Protein NMR utilizes multidimensional nuclear magnetic resonance experiments to obtain information about the protein. (wikipedia.org)
  • The power of combining sum frequency generation (SFG) vibrational spectroscopy and solid-state nuclear magnetic resonance (ssNMR) spectroscopy to quantify, with site specificity and atomic resolution, the orientation and dynamics of side chains in synthetic model peptides adsorbed onto polystyrene (PS) surfaces is demonstrated in this study. (pnas.org)
  • Solid-state nuclear magnetic resonance (ssNMR) is likewise a versatile probe of biomolecular structure. (pnas.org)
  • The average and the local structure of phosphorus-treated HZSM-5 zeolites were investigated by means of atom probe tomography, powder X-ray diffraction (at ambient and cryogenic temperatures) and 1 H, 29 Si, 27 Al, and 31 P magic angle spinning (MAS) solid state nuclear magnetic resonance (NMR) spectroscopy. (rsc.org)
  • Solid state nuclear magnetic resonance (NMR) is exquisitely suited to probe atomic level structural detail of biomolecules within intact human cells. (wustl.edu)
  • Moreover, measurements using solid-state nuclear magnetic resonance (NMR) spectroscopy and X-ray diffraction experiments helped to supplement and fully support the picture of the fibril structure and validate the data obtained. (eurekalert.org)
  • Nuclear magnetic resonance methods provide unique insights into the structure, dynamics, and interactions of biomolecules. (unibas.ch)
  • Nuclear magnetic resonance (NMR) can determine both structure and dynamics of biomolecules and their complexes in solution. (unibas.ch)
  • The nuclear magnetic resonance spectroscopy facility at UEA enables structural and dynamic studies on substances ranging from small molecule pharmaceuticals and polymers to complex biomolecules, solids and colloids. (uea.ac.uk)
  • The Biomolecular Structure and Function Group advances new measurement methods and modeling tools for structural analysis of biomolecules and biomolecular complexes. (nist.gov)
  • The research project involves the structural investigation of biomolecules inside living cells with Nuclear Magnetic Resonance spectroscopy (NMR). (weizmann.ac.il)
  • While the knowledge of the three-dimensional structures of biomolecules is an important step towards this understanding, many interesting biomolecular processes require that biomolecules dynamically explore a range of different conformational states. (ibs.fr)
  • The NMR Core facility focuses on applying high resolution NMR spectroscopy to the structural characterization of biomolecules, small organic compounds, natural products, and biomolecular complexes. (cityofhope.org)
  • The award will finance interdisciplinary work bringing together quantum simulations with novel nitrogen-14 NMR nuclear magnetic resonance (NMR) methods to study biomolecules. (southampton.ac.uk)
  • Our research is focused on problems in structural biology where NMR can yield unique new information on biomolecular structure, dynamics, and function. (unibas.ch)
  • In collaboration with U.S. industry, government agencies, and scientific institutions, the Biomolecular Structure and Function Group develops precision measurement and modeling tools and standards to support determination of biomolecular structure, dynamics, energetics and function. (nist.gov)
  • The article presents hydration studies on the archaeal protein Sso7d using nuclear magnetic resonance (NMR) measurements and molecular dynamics (MD) simulations. (ebscohost.com)
  • Collective protein dynamics and nuclear spin relaxation. (ebscohost.com)
  • We use Nuclear Magnetic Resonance spectroscopy, both in the solid-state and in solution-state to probe structure interactions and dynamics in these systems. (ibs.fr)
  • In parallel and complementary to these studies of biomolecular function, we actively develop and improve NMR techniques, in particular solid-state NMR approaches, which provide insight into biomolecular dynamics at increasing level of detail. (ibs.fr)
  • Nuclear magnetic resonance (NMR) has been an indispensable tool for the study of molecular structure and dynamics, especially in biomolecular systems [17]. (usf.edu)
  • Nuclear Magnetic Resonance (NMR) spectroscopy has emerged as a major technique for the characterization of protein structure and dynamics, providing the opportunity in turn to benchmark and validate computational models. (telluridescience.org)
  • This Summer School will present state-of-the-art computational and experimental techniques for the study of biomolecular dynamics, emphasizing the synergy between theory, computation, and experiment. (telluridescience.org)
  • The summer school will include a group project in which participants will be challenged to develop a research plan to address a fundamental question related to biomolecular dynamics using ideas developed in the school. (telluridescience.org)
  • The Biomolecular NMR and crystallography lab at Paris Descartes University is inviting applications for a postdoctoral associate position in the area of RNA maturation in the group of Dr. Carine Tisné ( http://lcrbw.pharmacie.univ-paris5.fr/spip.php?rubrique10 ). (weizmann.ac.il)
  • This is an interdisciplinary project that will be performed in collaboration with other groups at the CBS including the crystallography of Nuclear Receptors (William Bourguet) and molecular simulations (Alessandro Barducci) groups. (weizmann.ac.il)
  • Pho?hate metabolism in intact human erythrocytes: determination by P Nuclear Magnetic Resonance spectroscopy. (springer.com)
  • To this end, his group has developed several magnetic resonance spectroscopy (MRS) methods to examine intracellular glucose and fat metabolism non-invasively in humans. (yale.edu)
  • HWB-NMR has been selected by UKRI to host a national 1.0 GHz spectrometer for solution state biomolecular NMR research. (birmingham.ac.uk)
  • As co-chaperones of Hsp90 (heat-shock protein 90), FKBP51 (FK506-binding protein of 51 kDa) and FKBP52 (FK506-binding protein of 52 kDa) act as antagonists in regulating the hormone affinity and nuclear transport of steroid receptor complexes. (ebscohost.com)
  • 3D molecular complexes so-called biomolecular machines, targets of drugs can thus be studied in vivo. (innovations-report.com)
  • Alternatively, virtual computer simulation models or expensive nuclear magnetic resonance methods were used to visualize the three-dimensional structure of such complexes. (innovations-report.com)
  • Triple resonance experiments are a set of multi-dimensional nuclear magnetic resonance spectroscopy (NMR) experiments that link three types of atomic nuclei, most typically consisting of 1H, 15N and 13C. (wikipedia.org)
  • These experiments are often used to assign specific resonance signals to specific atoms in an isotopically-enriched protein. (wikipedia.org)
  • Many of these experiments have since become the standard set of experiments used for sequential assignment of NMR resonances in the determination of protein structure by NMR. (wikipedia.org)
  • These triple resonance experiments utilize the relatively large magnetic couplings between certain pairs of nuclei to establish their connectivity. (wikipedia.org)
  • Triple resonance experiments involving 31P may also be use for nucleic acid studies. (wikipedia.org)
  • Sequential assignment using triple resonance experiments These experiments are typically named by the nuclei (H, N, and C) involved in the experiment. (wikipedia.org)
  • Some of the experiments are used in tandem for the resonance assignment of protein, for example HNCACB may be used together with CBCA(CO)NH as a pair of experiments. (wikipedia.org)
  • Other experiments are also necessary to fully assign the side chain resonances. (wikipedia.org)
  • Triple resonance experiments can also be used in sequence-specific backbone resonance assignment of magic angle spinning NMR spectra in solid-state NMR. (wikipedia.org)
  • A large number triple-resonance NMR experiments have been created, and the experiments listed below is not meant to be exhaustive. (wikipedia.org)
  • This tremendous gain in sensitivity results in acquiring data 400 million times faster than conventional NMR experiments and will have a profound impact on magnetic resonance spectroscopy and structural biology. (wustl.edu)
  • b) A practical understanding of how to setup, conduct and analyse NMR experiments c) A knowledge of modern methods in Biomolecular NMR and Magnetic Resonance Imaging to allow them to critical evaluate their use in the Biosciences. (southampton.ac.uk)
  • The students will then learn the how to conduct a simple biomolecular NMR experiments and then process and document the resulting data. (southampton.ac.uk)
  • A full suite of 1-D, 2-D and 3-D experiments is offered and including 1-D 1 H and 13 C observe, 2-D HMQC, HSQC, and HMBC, and experiments dedicated to biomolecular NMR studies, e.g. (unh.edu)
  • 1H, 13C and 15N resonance assignments of YajG, an Escherichia coli protein of unknown structure and function. (ac.be)
  • 19. K. Wüthrich, G. Wagner, R. Richarz and S.J. Perkins: Individual assignments of the methyl resonances in the 1H NMR spectrum of the basic pancreatic trypsin inhibitor (BPTI). (harvard.edu)
  • Nuclear Magnetic Resonance (NMR) spectroscopy is the most powerful technique for characterisation of biomolecular structures at atomic resolution in the solution state. (iospress.nl)
  • The role of NMR spectroscopy in solving biomolecular structures to atomic resolution is well-established. (iospress.nl)
  • The structures were determined by the method of direct refinement against nuclear Overhauser enhancement peak volumes with the program DINOSAUR. (rcsb.org)
  • RMIT's Nuclear Magnetic Resonance Spectroscopy Facility houses a range of solid and solution state nuclear magnetic resonance equipment. (edu.au)
  • RMIT's Nuclear Magnetic Resonance Spectroscopy Facility is a node of the Australian NMR network (ANZMAGnet). (edu.au)
  • Saliba E.P., Sesti E.L, Scott F.J., Albert B.J., Choi E.J., Alaniva N., Gao C., Barnes A.B.* ( 2017 ) Electron decoupling with dynamic nuclear polarization in rotating solids. (wustl.edu)
  • Chalmers Hall is home to the Biochemistry and Molecular Biophysics Main Office and Biomolecular Nuclear Magnetic Resonance (NMR) Facility, in addition to the majority of faculty offices, research laboratories and classrooms. (k-state.edu)
  • The core offers a full-service facility with applications for high-field nuclear magnetic resonance (NMR) spectroscopy and biochemical and biological systems microscopy. (mayo.edu)
  • Professor Teresa Carlomagno has been appointed to lead the Biomolecular Nuclear Magnetic Resonance (NMR) national facility at the University of Birmingham. (birmingham.ac.uk)
  • In the mid 1980s a Biomolecular Structure Group was created establishing NIST capabilities in biomolecular singe-crystal x-ray diffraction. (thefreelibrary.com)
  • 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. (wikipedia.org)
  • Diagram describing the stepwise procedure for solution structure determination of ribonucleic acid (RNA) by nuclear magnetic resonance (NMR) spectroscopy. (els.net)
  • Resonance assignment of imino protons based on the secondary structure of the RNA. (els.net)
  • A novel off-resonance rotating-frame 15N NMR spin relaxation experiment is used to characterize conformational fluctuations with correlation times between 32 and 175 microseconds in the third fibronectin type III domain of human tenascin-C. Conformational fluctuations of contiguous regions of the beta-sandwich structure of the type III domain may represent collective motions, such as transient twisting or breathing of the beta-sheets. (duke.edu)
  • This journal presents research on technical developments and innovative applications of nuclear magnetic resonance spectroscopy in the study of structure and dynamic properties of biopolymers in solution, liquid crystals, solids and mixed environments such as membranes. (springer.com)
  • The Journal of Biomolecular NMR provides a forum for publishing research on technical developments and innovative applications of nuclear magnetic resonance spectroscopy for the study of structure and dynamic properties of biopolymers in solution, liquid crystals, solids and mixed environments, e.g., attached to membranes. (springer.com)
  • In contrast, nuclear magnetic resonance (NMR) is a high resolution and information-rich technique that is highly sensitive to molecular structure alterations that result from mutations, misfoldings, or other contaminants. (nas.edu)
  • In the mid 1980s the Biomolecular Structure Group was created in the Chemical Thermodynamics Division of the Center for Chemical Physics at NBS. (thefreelibrary.com)
  • Our laboratory improves magnetic resonance technology and spectroscopy for biomolecular structure determination relevant to HIV cure research. (wustl.edu)
  • The drastic gain in sensitivity will permit biomolecular structure determination of drugs within cells, which can be directly correlated to target phenotypes. (wustl.edu)
  • The NMR Structure Analysis Unit is focusing on Nuclear Magnetic Resonance spectroscopy. (ugent.be)
  • The course will provide an introduction into the theoretical background of NMR sufficient to understand the techniques can be used for studying biomolecular structure/function as well as magnetic resonance imaging. (southampton.ac.uk)
  • While these pioneering developments established several key uses of biomolecular MRI, such as imaging of gene expression and functional biosensing, they also revealed that low molecular sensitivity poses a major challenge for broader adoption in biology and medicine. (caltech.edu)
  • However, the small nuclear magnetic moments that yield narrow resonances also result in very low inherent sensitivity in NMR. (wustl.edu)
  • Dynamic Nuclear Polarization (DNP) is a powerful combined electron paramagnetic resonance (EPR) and NMR technique that transfers the strong polarization from unpaired electron spins to nuclear spins to boost NMR sensitivity. (wustl.edu)
  • 800 MHz AVANCE III for biomolecular NMR at highest sensitivity and resolution. (cicbiogune.es)
  • To this end we intend to bring together active researchers in the field of computational biomolecular spectroscopy. (cecam.org)
  • In a collaborative study, we have also been exploring appropriate use of computational screening together with NMR and SPR (surface plasmon resonance) to find small molecules that can bind to AAA ATPase p97/VCP. (ucsf.edu)
  • In 2007, she moved to the EMBL in Heidelberg as a group leader in biomolecular NMR spectroscopy in the Structural and Computational Biology Unit. (birmingham.ac.uk)
  • Theoretical and computational models of biomolecular systems are increasingly predictive, providing the opportunity to qualitatively interpret and quantitatively characterize the results of experiment. (telluridescience.org)
  • These problems may be alleviated by using heteronuclear NMR spectroscopy which allows the proton spectrum to be edited with respect to the 15N and 13C chemical shifts, and also reduces the overlap of resonances by increasing the number of dimensions of the spectrum. (wikipedia.org)
  • There are also more complex 3D and 4D methods and a variety of methods designed to suppress or amplify particular types of resonances. (wikipedia.org)
  • Paramagnetic transition metal-containing metalloproteins can be studied by the use of a number of different magnetic and spectroscopic methods owing to the presence of unpaired electrons on the metal ions. (usf.edu)
  • 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 . (wikipedia.org)
  • Nuclear Magnetic Resonance (NMR) encompasses several powerful structural and analytical methodologies which are capable of providing atomic level information about molecules. (uea.ac.uk)
  • This allows the observation of specific quantum mechanical magnetic properties of an atomic nucleus . (wikibooks.org)
  • Different atomic nuclei within a molecule resonate at different (radio) frequencies for the same magnetic field strength. (wikibooks.org)
  • Recently, new classes of biomolecular reporters have been developed based on alternative contrast mechanisms, including enhancement of spin diffusivity, interactions with hyperpolarized nuclei, and modulation of blood flow. (caltech.edu)
  • b) At low peptide concentrations, weak interactions between peptide and lipids induce a slight disorder causing the 31P resonance to shift to lower values. (nih.gov)
  • The pharmaceutical industry can trace in this way the interactions of biomolecular machines with pharmaceutically active compounds specifically and answer fundamental mechanistic questions about drugs", according to Dr. Andrea Nestl, responsible for the development of patenting and marketing strategy on behalf of the University of Heidelberg. (innovations-report.com)
  • 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. (wikipedia.org)
  • This limitation is due to the need to assign NMR signals from the large number of nuclei in the protein - in larger protein, the greater number of nuclei results in overcrowding of resonances, and the increasing size of the protein also broadens the signals, making resonance assignment difficult. (wikipedia.org)
  • The use of electromagnetic radiation , in the presence of a magnetic field , to obtain information regarding transitions between different nuclear spin states of the nuclei present in the sample of interest. (citizendium.org)
  • Nuclear magnetic resonance ( NMR ) is a property that magnetic nuclei have in a magnetic field and applied electromagnetic (EM) pulse or pulses, which cause the nuclei to absorb energy from the EM pulse and radiate this energy back out. (wikibooks.org)
  • if a sample is placed in a non-uniform magnetic field then the resonance frequencies of the sample's nuclei depend on where in the field they are located. (wikibooks.org)
  • The required perturbing frequency is dependent upon the static magnetic field ( H 0 ) and the nuclei of observation. (wikibooks.org)
  • Template:OptionalLink }}, could absorb RF energy when placed in a magnetic field of a strength specific to the identity of the nuclei. (wikibooks.org)
  • Dynamic Nuclear Polarization (DNP) is often achieved by the direct transfer of polarization from electrons to nuclei such as C-13, induced by microwave saturation of the wings of narrow EPR lines of radicals like trityl. (epfl.ch)
  • In the indirect approach on the other hand, DNP is used to transfer the polarization from the electrons of radicals such as nitroxides that have broad EPR lines to nuclear spins I = H-1, followed by cross-polarization (CP) from I = H-1 to S = C-13 or other nuclei with low gyromagnetic ratios. (epfl.ch)
  • Biomolecular nuclear magnetic resonance (NMR) spectroscopy allows the characterisation of structural and dynamic properties of ribonucleic acids (RNAs) in solution. (els.net)
  • This timely book, entitled Biomolecular NMR Spectroscopy, focuses on the latest state-of-the-art NMR techniques for characterisation of biological macromolecules in the solid and solution state. (iospress.nl)
  • In nuclear Overhauser effect (NOE) spectroscopy, the relaxation of the resonances is observed. (wikipedia.org)
  • Moreover, we also intend to develop physico-chemical methodologies, which are based on sedimentation equilibrium measurements, differential scanning calorimetry and surface plasmon resonance, to investigate the mechanism of complex formation. (nii.ac.jp)
  • These properties are fundamentally the same as those used in the more familiar magnetic resonance imaging (MRI) , but the molecular applications use a somewhat different approach, appropriate to the change of scale from millimeters (of interest to radiologists) to nanometers (bonded atoms are typically a fraction of a nanometer apart), a factor of a million. (wikipedia.org)
  • For example, it can determine the numbers of particular atoms within a molecule, their chemical environments and how they are interconnected and spatially arranged based on their magnetic properties. (uea.ac.uk)
  • It involves the detection of radiofrequency signals from several types of atoms placed in a magnetic field. (birmingham.ac.uk)
  • Nitrogen is one of the most abundant atoms in biomolecular systems, but the naturally occuring isotope, nitrogen-14 has to date proved challenging to study by NMR," explains Phil. (southampton.ac.uk)
  • Yet difficulties with resonance assignment and the low abundance of methyl groups can preclude detailed NMR studies, particularly the determination of continuous interaction surfaces. (mpg.de)
  • The laboratory hosts high-field state-of-the-art NMR spectrometers for biomolecular applications: A 800 MHz and a 700 MHz both equipped with cryoprobes and a 600 MHz. (weizmann.ac.il)
  • Dynamic Nuclear Polarization Instrumentation and Methodology. (wustl.edu)
  • The rich optical and magnetic properties of transition metal ion probes allow us to study the metal binding sites in metalloproteins by the use of several different physical techniques. (usf.edu)
  • ICNMRSMI 2021 has teamed up with the Special Journal Issue on Nuclear Magnetic Resonance Spectroscopy and Magnetic Inequivalence . (waset.org)
  • Journal of Biomolecular NMR - incl. (springer.com)
  • Journal of Magnetic Resonance , 286, 1-9. (wustl.edu)
  • Journal of biomolecular NMR 22 (2), pp. 185-186. (uni-regensburg.de)
  • aims to bring together leading academic scientists, researchers and research scholars to exchange and share their experiences and research results on all aspects of Nuclear Magnetic Resonance Spectroscopy and Magnetic Inequivalence. (waset.org)
  • Also, high quality research contributions describing original and unpublished results of conceptual, constructive, empirical, experimental, or theoretical work in all areas of Nuclear Magnetic Resonance Spectroscopy and Magnetic Inequivalence are cordially invited for presentation at the conference. (waset.org)
  • Mayo Clinic's Biomolecular Analysis Service Line comprises high-complexity cores offering top-of-the-line biomolecular research support. (mayo.edu)
  • He was awarded the 1996 Wallmarkska Prize of the Royal Swedish Academy of Sciences, the 2010 Alexander von Humboldt Research Award, the 2013 Medal of the Australian and New Zealand Society of Magnetic Resonance and is a foreign member of the Latvian Academy of Sciences. (arc.gov.au)
  • Bijvoet Center for Biomolecular Research, Utrecht University, The Netherlands. (rcsb.org)
  • The symposium addresses a wide range of topics in Nuclear Magnetic Resonance (NMR) research in France and Austria including physical fundamentals, novel methodology, and biomolecular applications. (jku.at)
  • Modern NMR spectrometers have a very strong, large and expensive liquid helium -cooled superconducting magnet, because resolution directly depends on magnetic field strength. (wikipedia.org)
  • There are even benchtop nuclear magnetic resonance spectrometers . (wikipedia.org)
  • The elucidation of structural, dynamical and thus mechanistic properties of biomolecular systems and processes mostly rests on the application of X-ray scattering in conjunction with a variety of spectroscopic techniques. (cecam.org)
  • Both use intense applied magnetic fields ( H 0 ) in order to achieve dispersion and very high stability to deliver spectral resolution , the details of which are described by chemical shifts , the Zeeman effect , and Knight shifts (in metals). (wikibooks.org)
  • Magnetic resonance imaging (MRI) is a powerful technique for observing the function of specific cells and molecules inside living organisms. (caltech.edu)
  • Biomolecular machines (BMM) are highly complex nanostructures consisting of several large molecules and which are responsible for basic functions in the body cells. (innovations-report.com)
  • The module will provide: a) A theoretical background to nuclear magnetic resonance and magnetic resonance imaging. (southampton.ac.uk)
  • an 800 MHz double resonance HR/MAS probe (1H-13C, optimised for 13C). (uea.ac.uk)
  • Equipped with a triple resonance helium cooled cryoprobe, broadband probe, 3.2 and 4mm solids probes, and 4mm HRMAS probe, automatic sample changer, and variable temperature capability. (unh.edu)
  • Nuclear Magnetic Resonance (NMR) will be the main experimental technique used to develop the project. (weizmann.ac.il)

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