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Circular Dichroism
Circular dichroism (CD) is dichroism involving circular polarization, circularly polarized light, i.e., the differential Absorption (electromagnetic radiation), absorption of left- and right-handed light. Left-hand circular (LHC) and right-hand circular (RHC) polarized light represent two possible spin angular momentum of light, spin angular momentum states for a photon, and so circular dichroism is also referred to as dichroism for spin angular momentum. This phenomenon was discovered by Jean-Baptiste Biot, Augustin Fresnel, and Aimé Cotton in the first half of the 19th century. Circular dichroism and optical rotation, circular birefringence are manifestations of optical activity. It is exhibited in the absorption (electromagnetic radiation), absorption bands of optical activity, optically active chirality (chemistry), chiral molecules. CD spectroscopy has a wide range of applications in many different fields. Most notably, Ultraviolet, far-UV CD is used to investigate the second ...
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CD Spectrum
The compact disc (CD) is a Digital media, digital optical disc data storage format co-developed by Philips and Sony to store and play digital audio recordings. It employs the Compact Disc Digital Audio (CD-DA) standard and was capable of holding of uncompressed stereo audio. First released in Japan in October 1982, the CD was the second optical disc format to reach the market, following the larger LaserDisc (LD). In later years, the technology was adapted for computer data storage as CD-ROM and subsequently expanded into various writable and multimedia formats. , over 200 billion CDs (including audio CDs, CD-ROMs, and CD-Rs) had been sold worldwide. Standard CDs have a diameter of and typically hold up to 74 minutes of audio or approximately of data. This was later regularly extended to 80 minutes or by reducing the spacing between data tracks, with some discs unofficially reaching up to 99 minutes or which falls outside established specifications. Smaller variants, such ...
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Secondary Structure
Protein secondary structure is the local spatial conformation of the polypeptide backbone excluding the side chains. The two most common Protein structure#Secondary structure, secondary structural elements are alpha helix, alpha helices and beta sheets, though beta turns and omega loops occur as well. Secondary structure elements typically spontaneously form as an intermediate before the protein protein folding, folds into its three dimensional protein tertiary structure, tertiary structure. Secondary structure is formally defined by the pattern of hydrogen bonds between the Amine, amino hydrogen and carboxyl oxygen atoms in the peptide backbone chain, backbone. Secondary structure may alternatively be defined based on the regular pattern of backbone Dihedral angle#Dihedral angles of proteins, dihedral angles in a particular region of the Ramachandran plot regardless of whether it has the correct hydrogen bonds. The concept of secondary structure was first introduced by Kaj Ulrik ...
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Linearly Pol
In mathematics, the term ''linear'' is used in two distinct senses for two different properties: * linearity of a ''function'' (or '' mapping''); * linearity of a ''polynomial''. An example of a linear function is the function defined by f(x)=(ax,bx) that maps the real line to a line in the Euclidean plane R2 that passes through the origin. An example of a linear polynomial in the variables X, Y and Z is aX+bY+cZ+d. Linearity of a mapping is closely related to '' proportionality''. Examples in physics include the linear relationship of voltage and current in an electrical conductor (Ohm's law), and the relationship of mass and weight. By contrast, more complicated relationships, such as between velocity and kinetic energy, are ''nonlinear''. Generalized for functions in more than one dimension, linearity means the property of a function of being compatible with addition and scaling, also known as the superposition principle. Linearity of a polynomial means that its degree is ...
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Clockwise
Two-dimensional rotation can occur in two possible directions or senses of rotation. Clockwise motion (abbreviated CW) proceeds in the same direction as a clock's hands relative to the observer: from the top to the right, then down and then to the left, and back up to the top. The opposite sense of rotation or revolution is (in Commonwealth English) anticlockwise (ACW) or (in North American English) counterclockwise (CCW). Three-dimensional rotation can have similarly defined senses when considering the corresponding angular velocity vector. Terminology Before clocks were commonplace, the terms " sunwise" and "deasil", "deiseil" and even "deocil" from the Scottish Gaelic language and from the same root as the Latin "dexter" ("right") were used for clockwise. " Widdershins" or "withershins" (from Middle Low German "weddersinnes", "opposite course") was used for counterclockwise. The terms clockwise and counterclockwise can only be applied to a rotational motion once a side ...
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Polarization (waves)
, or , is a property of transverse waves which specifies the geometrical orientation of the oscillations. In a transverse wave, the direction of the oscillation is perpendicular to the direction of motion of the wave. One example of a polarized transverse wave is vibrations traveling along a taut string, for example, in a musical instrument like a guitar string. Depending on how the string is plucked, the vibrations can be in a vertical direction, horizontal direction, or at any angle perpendicular to the string. In contrast, in longitudinal waves, such as sound waves in a liquid or gas, the displacement of the particles in the oscillation is always in the direction of propagation, so these waves do not exhibit polarization. Transverse waves that exhibit polarization include electromagnetic waves such as light and radio waves, gravitational waves, and transverse sound waves ( shear waves) in solids. An electromagnetic wave such as light consists of a coupled oscillating el ...
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Transverse Wave
In physics, a transverse wave is a wave that oscillates perpendicularly to the direction of the wave's advance. In contrast, a longitudinal wave travels in the direction of its oscillations. All waves move energy from place to place without transporting the matter in the transmission medium if there is one. Electromagnetic waves are transverse without requiring a medium. The designation “transverse” indicates the direction of the wave is perpendicular to the displacement of the particles of the medium through which it passes, or in the case of EM waves, the oscillation is perpendicular to the direction of the wave. A simple example is given by the waves that can be created on a horizontal length of string by anchoring one end and moving the other end up and down. Another example is the waves that are created on the membrane of a drum. The waves propagate in directions that are parallel to the membrane plane, but each point in the membrane itself gets displaced up and dow ...
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Electromagnetic Radiation
In physics, electromagnetic radiation (EMR) is a self-propagating wave of the electromagnetic field that carries momentum and radiant energy through space. It encompasses a broad spectrum, classified by frequency or its inverse, wavelength, ranging from radio waves, microwaves, infrared, visible light, ultraviolet, X-rays, and gamma rays. All forms of EMR travel at the speed of light in a vacuum and exhibit wave–particle duality, behaving both as waves and as discrete particles called photons. Electromagnetic radiation is produced by accelerating charged particles such as from the Sun and other celestial bodies or artificially generated for various applications. Its interaction with matter depends on wavelength, influencing its uses in communication, medicine, industry, and scientific research. Radio waves enable broadcasting and wireless communication, infrared is used in thermal imaging, visible light is essential for vision, and higher-energy radiation, such ...
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Infrared
Infrared (IR; sometimes called infrared light) is electromagnetic radiation (EMR) with wavelengths longer than that of visible light but shorter than microwaves. The infrared spectral band begins with the waves that are just longer than those of red light (the longest waves in the visible spectrum), so IR is invisible to the human eye. IR is generally (according to ISO, CIE) understood to include wavelengths from around to . IR is commonly divided between longer-wavelength thermal IR, emitted from terrestrial sources, and shorter-wavelength IR or near-IR, part of the solar spectrum. Longer IR wavelengths (30–100 μm) are sometimes included as part of the terahertz radiation band. Almost all black-body radiation from objects near room temperature is in the IR band. As a form of EMR, IR carries energy and momentum, exerts radiation pressure, and has properties corresponding to both those of a wave and of a particle, the photon. It was long known that fires e ...
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Vibrational Circular Dichroism
Vibrational circular dichroism (VCD) is a spectroscopic technique which detects differences in attenuation of left and right circularly polarized light passing through a sample. It is the extension of circular dichroism spectroscopy into the infrared and near infrared ranges. Because VCD is sensitive to the mutual orientation of distinct groups in a molecule, it provides three-dimensional structural information. Thus, it is a powerful technique as VCD spectra of enantiomers can be simulated using ''ab initio'' calculations, thereby allowing the identification of absolute configurations of small molecules in solution from VCD spectra. Among such quantum computations of VCD spectra resulting from the chiral properties of small organic molecules are those based on density functional theory (DFT) and gauge-including atomic orbitals (GIAO). As a simple example of the experimental results that were obtained by VCD are the spectral data obtained within the carbon-hydrogen (C-H) stretching ...
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D Orbital
In quantum mechanics, an atomic orbital () is a function describing the location and wave-like behavior of an electron in an atom. This function describes an electron's charge distribution around the atom's nucleus, and can be used to calculate the probability of finding an electron in a specific region around the nucleus. Each orbital in an atom is characterized by a set of values of three quantum numbers , , and , which respectively correspond to electron's energy, its orbital angular momentum, and its orbital angular momentum projected along a chosen axis (magnetic quantum number). The orbitals with a well-defined magnetic quantum number are generally complex-valued. Real-valued orbitals can be formed as linear combinations of and orbitals, and are often labeled using associated harmonic polynomials (e.g., ''xy'', ) which describe their angular structure. An orbital can be occupied by a maximum of two electrons, each with its own projection of spin m_s. The simpl ...
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Transition Metal
In chemistry, a transition metal (or transition element) is a chemical element in the d-block of the periodic table (groups 3 to 12), though the elements of group 12 (and less often group 3) are sometimes excluded. The lanthanide and actinide elements (the f-block) are called inner transition metals and are sometimes considered to be transition metals as well. They are lustrous metals with good electrical and thermal conductivity. Most (with the exception of group 11 and group 12) are hard and strong, and have high melting and boiling temperatures. They form compounds in any of two or more different oxidation states and bind to a variety of ligands to form coordination complexes that are often coloured. They form many useful alloys and are often employed as catalysts in elemental form or in compounds such as coordination complexes and oxides. Most are strongly paramagnetic because of their unpaired d electrons, as are many of their compounds. All of the elements that are ...
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Electronic Structure
Quantum chemistry, also called molecular quantum mechanics, is a branch of physical chemistry focused on the application of quantum mechanics to chemical systems, particularly towards the quantum-mechanical calculation of electronic contributions to physical and chemical properties of molecules, materials, and solutions at the atomic level. These calculations include systematically applied approximations intended to make calculations computationally feasible while still capturing as much information about important contributions to the computed wave functions as well as to observable properties such as structures, spectra, and thermodynamic properties. Quantum chemistry is also concerned with the computation of quantum effects on molecular dynamics and chemical kinetics. Chemists rely heavily on spectroscopy through which information regarding the quantization of energy on a molecular scale can be obtained. Common methods are infra-red (IR) spectroscopy, nuclear magnetic re ...
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