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Related Concept Videos

SN2 Reaction: Transition State02:26

SN2 Reaction: Transition State

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An SN2 reaction of an alkyl halide is a single-step process in which bond formation between the nucleophile and the substrate and bond breaking between the substrate and the halide occurs simultaneously through a transition state without forming an intermediate.
When the nucleophile approaches the electrophilic carbon with its lone pairs, the halide acts as a leaving group and moves away with the electron-pair bonded to the carbon. Dotted partial bonds represent the bonds being formed or broken...
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Whether solid, liquid, or gas, a substance's state depends on the order and arrangement of its particles (atoms, molecules, or ions). Particles in the solid pack closely together, generally in a pattern. The particles vibrate about their fixed positions but do not move or squeeze past their neighbors. In liquids, although the particles are closely spaced, they are randomly arranged. The position of the particles are not fixed—that is, they are free to move past their neighbors to...
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Transition metals are defined as those elements that have partially filled d orbitals. As shown in Figure 1, the d-block elements in groups 3–12 are transition elements. The f-block elements, also called inner transition metals (the lanthanides and actinides), also meet this criterion because the d orbital is partially occupied before the f orbitals.
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Cooperative allosteric transitions can occur in multimeric proteins, where each subunit of the protein has its own ligand-binding site. When a ligand binds to any of these subunits, it triggers a conformational change that affects the binding sites in the other subunits; this can change the affinity of the other sites for their respective ligands. The ability of the protein to change the shape of its binding site is attributed to the presence of a mix of flexible and stable segments in the...
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Some solids can transition directly into the gaseous state, bypassing the liquid state, via a process known as sublimation. At room temperature and standard pressure, a piece of dry ice (solid CO2) sublimes, appearing to gradually disappear without ever forming any liquid. Snow and ice sublimate at temperatures below the melting point of water, a slow process that may be accelerated by winds and the reduced atmospheric pressures at high altitudes. When solid iodine is warmed, the solid sublimes...
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The physical form of a substance changes on changing its temperature. For example, raising the temperature of a liquid causes the liquid to vaporize (convert into vapor). The process is called vaporization—a surface phenomenon. Vaporization occurs when the thermal motion of the molecules overcome the intermolecular forces, and the molecules (at the surface) escape into the gaseous state. When a liquid vaporizes in a closed container, gas molecules cannot escape. As these gas phase molecules...
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Efficient Purification and LC-MS/MS-based Assay Development for Ten-Eleven Translocation-2 5-Methylcytosine Dioxygenase
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Interdoublet transitions in S = 5/2 protein systems

B C Maguire1, B J Gaffney

  • 1National High Magnetic Field Laboratory, Florida State University, Tallahassee 32306, USA.

Solid State Nuclear Magnetic Resonance
|December 31, 1997
PubMed
Summary

Simulations of electron magnetic resonance (EMR) spectra for high-spin ferric iron proteins reveal unique interdoublet transitions. These transitions, occurring at specific frequencies and low magnetic fields, enable novel angle-selection experiments.

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Area of Science:

  • Biophysics
  • Spectroscopy
  • Computational Chemistry

Background:

  • Electron magnetic resonance (EMR) spectroscopy is crucial for characterizing metalloproteins.
  • High-spin ferric iron centers in proteins exhibit complex EMR spectra.
  • Understanding spectral features aids in determining electronic and structural properties.

Purpose of the Study:

  • To analyze the information content of EMR spectra for high-spin ferric iron proteins.
  • To investigate transitions between non-Kramers doublet levels.
  • To explore the potential for novel experimental techniques.

Main Methods:

  • Simulations of EMR spectra across various magnetic fields and frequencies.
  • Analysis of transitions relative to the zero-field splitting parameter (D).
  • Examination of spectral features at low magnetic fields.

Main Results:

  • Identified specific conditions where interdoublet transitions are well-resolved.
  • Demonstrated that transitions at 2-3 times the zero-field splitting parameter (D) are particularly informative.
  • Observed that these transitions occur at low magnetic fields and specific molecular orientations.

Conclusions:

  • EMR spectral simulations provide insights into high-spin ferric iron proteins.
  • Low-field interdoublet transitions offer unique opportunities for experimental investigation.
  • Angle-selection experiments can be designed based on these spectral characteristics.