Protein Crystallography
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Protein Crystallography
X-ray crystallography is the experimental science determining the atomic and molecular structure of a crystal, in which the crystalline structure causes a beam of incident X-rays to diffract into many specific directions. By measuring the angles and intensities of these diffracted beams, a crystallographer can produce a three-dimensional picture of the density of electrons within the crystal. From this electron density, the mean positions of the atoms in the crystal can be determined, as well as their chemical bonds, their crystallographic disorder, and various other information. Since many materials can form crystals—such as salts, metals, minerals, semiconductors, as well as various inorganic, organic, and biological molecules—X-ray crystallography has been fundamental in the development of many scientific fields. In its first decades of use, this method determined the size of atoms, the lengths and types of chemical bonds, and the atomic-scale differences among various mat ...
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Freezed XRD
Freezing is a phase transition where a liquid turns into a solid when its temperature is lowered below its freezing point. In accordance with the internationally established definition, freezing means the solidification phase change of a liquid or the liquid content of a substance, usually due to cooling. For most substances, the melting and freezing points are the same temperature; however, certain substances possess differing solid-liquid transition temperatures. For example, agar displays a hysteresis in its melting point and freezing point. It melts at 85 °C (185 °F) and solidifies from 32 °C to 40 °C (89.6 °F to 104 °F). Crystallization Most liquids freeze by crystallization, formation of crystalline solid from the uniform liquid. This is a first-order thermodynamic phase transition, which means that as long as solid and liquid coexist, the temperature of the whole system remains very nearly equal to the melting point due to the slow remo ...
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Experiment
An experiment is a procedure carried out to support or refute a hypothesis, or determine the efficacy or likelihood of something previously untried. Experiments provide insight into Causality, cause-and-effect by demonstrating what outcome occurs when a particular factor is manipulated. Experiments vary greatly in goal and scale but always rely on repeatable procedure and logical analysis of the results. There also exist natural experiment, natural experimental studies. A child may carry out basic experiments to understand how things fall to the ground, while teams of scientists may take years of systematic investigation to advance their understanding of a phenomenon. Experiments and other types of hands-on activities are very important to student learning in the science classroom. Experiments can raise test scores and help a student become more engaged and interested in the material they are learning, especially when used over time. Experiments can vary from personal and in ...
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Small-angle X-ray Scattering
Small-angle X-ray scattering (SAXS) is a small-angle scattering technique by which nanoscale density differences in a sample can be quantified. This means that it can determine nanoparticle size distributions, resolve the size and shape of (monodisperse) macromolecules, determine pore sizes, characteristic distances of partially ordered materials, and much more. This is achieved by analyzing the elastic scattering behaviour of X-rays when travelling through the material, recording their scattering at small angles (typically 0.1 – 10°, hence the "Small-angle" in its name). It belongs to the family of small-angle scattering (SAS) techniques along with small-angle neutron scattering, and is typically done using hard X-rays with a wavelength of 0.07 – 0.2 nm.. Depending on the angular range in which a clear scattering signal can be recorded, SAXS is capable of delivering structural information of dimensions between 1 and 100 nm, and of repeat distances in partially ordered s ...
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Powder Diffraction
Powder diffraction is a scientific technique using X-ray, neutron, or electron diffraction on powder or microcrystalline samples for structural characterization of materials. An instrument dedicated to performing such powder measurements is called a powder diffractometer. Powder diffraction stands in contrast to single crystal diffraction techniques, which work best with a single, well-ordered crystal. Explanation A diffractometer produces electromagnetic radiation (waves) with known wavelength and frequency, which is determined by their source. The source is often x-rays, because they are the only kind of energy with the optimal wavelength for inter-atomic-scale diffraction. However, electrons and neutrons are also common sources, with their frequency determined by their de Broglie wavelength. When these waves reach the sample, the incoming beam is either reflected off the surface, or can enter the lattice and be diffracted by the atoms present in the sample. If the atoms are ...
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Fiber Diffraction
Fiber diffraction is a subarea of scattering, an area in which molecular structure is determined from scattering data (usually of X-rays, electrons or neutrons). In fiber diffraction the scattering pattern does not change, as the sample is rotated about a unique axis (the fiber axis). Such uniaxial symmetry is frequent with filaments or fibers consisting of biological or man-made macromolecules. In crystallography fiber symmetry is an aggravation regarding the determination of crystal structure, because reflexions are smeared and may overlap in the fiber diffraction pattern. Materials science considers fiber symmetry a simplification, because almost the complete obtainable structure information is in a single two-dimensional (2D) diffraction pattern exposed on photographic film or on a 2D detector. 2 instead of 3 co-ordinate directions suffice to describe fiber diffraction. The ideal fiber pattern exhibits 4-quadrant symmetry. In the ideal pattern the fiber axis is called the me ...
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Fourier Transformation
A Fourier transform (FT) is a mathematical transform that decomposes functions into frequency components, which are represented by the output of the transform as a function of frequency. Most commonly functions of time or space are transformed, which will output a function depending on temporal frequency or spatial frequency respectively. That process is also called ''analysis''. An example application would be decomposing the waveform of a musical chord into terms of the intensity of its constituent pitches. The term ''Fourier transform'' refers to both the frequency domain representation and the mathematical operation that associates the frequency domain representation to a function of space or time. The Fourier transform of a function is a complex-valued function representing the complex sinusoids that comprise the original function. For each frequency, the magnitude (absolute value) of the complex value represents the amplitude of a constituent complex sinusoid with that ...
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Neutron
The neutron is a subatomic particle, symbol or , which has a neutral (not positive or negative) charge, and a mass slightly greater than that of a proton. Protons and neutrons constitute the nuclei of atoms. Since protons and neutrons behave similarly within the nucleus, and each has a mass of approximately one atomic mass unit, they are both referred to as nucleons. Their properties and interactions are described by nuclear physics. Protons and neutrons are not elementary particles; each is composed of three quarks. The chemical properties of an atom are mostly determined by the configuration of electrons that orbit the atom's heavy nucleus. The electron configuration is determined by the charge of the nucleus, which is determined by the number of protons, or atomic number. The number of neutrons is the neutron number. Neutrons do not affect the electron configuration, but the sum of atomic and neutron numbers is the mass of the nucleus. Atoms of a chemical element t ...
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Fourier Transform
A Fourier transform (FT) is a mathematical transform that decomposes functions into frequency components, which are represented by the output of the transform as a function of frequency. Most commonly functions of time or space are transformed, which will output a function depending on temporal frequency or spatial frequency respectively. That process is also called ''analysis''. An example application would be decomposing the waveform of a musical chord into terms of the intensity of its constituent pitches. The term ''Fourier transform'' refers to both the frequency domain representation and the mathematical operation that associates the frequency domain representation to a function of space or time. The Fourier transform of a function is a complex-valued function representing the complex sinusoids that comprise the original function. For each frequency, the magnitude (absolute value) of the complex value represents the amplitude of a constituent complex sinusoid with that ...
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Diffraction Pattern
Diffraction is defined as the interference or bending of waves around the corners of an obstacle or through an aperture into the region of geometrical shadow of the obstacle/aperture. The diffracting object or aperture effectively becomes a secondary source of the propagating wave. Italian scientist Francesco Maria Grimaldi coined the word ''diffraction'' and was the first to record accurate observations of the phenomenon in 1660. In classical physics, the diffraction phenomenon is described by the Huygens–Fresnel principle that treats each point in a propagating wavefront as a collection of individual spherical wavelets. The characteristic bending pattern is most pronounced when a wave from a coherent source (such as a laser) encounters a slit/aperture that is comparable in size to its wavelength, as shown in the inserted image. This is due to the addition, or interference, of different points on the wavefront (or, equivalently, each wavelet) that travel by paths of diff ...
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Monochromatic
A monochrome or monochromatic image, object or color scheme, palette is composed of one color (or lightness, values of one color). Images using only Tint, shade and tone, shades of grey are called grayscale (typically digital) or Black and white, black-and-white (typically analog). In physics, Monochromatic radiation, monochromatic light refers to electromagnetic radiation that contains a narrow band of wavelengths, which is a distinct concept. Application Of an image, the term monochrome is usually taken to mean the same as black and white or, more likely, grayscale, but may also be used to refer to other combinations containing only tones of a single color, such as green-and-white or green-and-red. It may also refer to Sepia tone, sepia displaying tones from light tan to dark brown or cyanotype ("blueprint") images, and early photographic methods such as daguerreotypes, ambrotypes, and tintypes, each of which may be used to produce a monochromatic image. In computing, monoc ...
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Goniometer
A goniometer is an instrument that either measures an angle or allows an object to be rotated to a precise angular position. The term goniometry derives from two Greek words, γωνία (''gōnía'') 'angle' and μέτρον (''métron'') 'measure'. The first known description of a goniometer, based on the astrolabe, was by Gemma Frisius in 1538. Applications Surveying Prior to the invention of the theodolite, the goniometer was used in surveying. The application of triangulation to geodesy was described in the second (1533) edition of ''Cosmograficus liber'' by Petri Appiani as a 16-page appendix by Frisius entitled ''Libellus de locorum describendorum ratione''. Communications The Bellini–Tosi direction finder was a type of radio direction finder that was widely used from World War I to World War II. It used the signals from two crossed antennas, or four individual antennas simulating two crossed ones, to re-create the radio signal in a small area between two loops ...
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Drug Design
Drug design, often referred to as rational drug design or simply rational design, is the inventive process of finding new medications based on the knowledge of a biological target. The drug is most commonly an organic small molecule that activates or inhibits the function of a biomolecule such as a protein, which in turn results in a therapeutic benefit to the patient. In the most basic sense, drug design involves the design of molecules that are complementary in shape and charge to the biomolecular target with which they interact and therefore will bind to it. Drug design frequently but not necessarily relies on computer modeling techniques. This type of modeling is sometimes referred to as computer-aided drug design. Finally, drug design that relies on the knowledge of the three-dimensional structure of the biomolecular target is known as structure-based drug design. In addition to small molecules, biopharmaceuticals including peptides and especially therapeutic antibodies a ...
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