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Related Concept Videos

Free Energy01:21

Free Energy

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Free energy—abbreviated as G for the scientist Gibbs who discovered it—is a measurement of useful energy that can be extracted from a reaction to do work. It is the energy in a chemical reaction that is available after entropy is accounted for. Reactions that take in energy are considered endergonic and reactions that release energy are exergonic. Plants carry out endergonic reactions by taking in sunlight and carbon dioxide to produce glucose and oxygen. Animals, in turn, break...
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The free energy change for a process may be viewed as a measure of its driving force. A negative value for ΔG represents a driving force for the process in the forward direction, while a positive value represents a driving force for the process in the reverse direction. When ΔGrxn is zero, the forward and reverse driving forces are equal, and the process occurs in both directions at the same rate (the system is at equilibrium).
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The free energy change for a process may be viewed as a measure of its driving force. A negative value for ΔG represents a driving force for the process in the forward direction, while a positive value represents a driving force for the process in the reverse direction. When ΔG is zero, the forward and reverse driving forces are equal, and the process occurs in both directions at the same rate (the system is at equilibrium).
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How can we compare the energy that releases from one reaction to that of another reaction? We use a measurement of free energy to quantitate these energy transfers. Scientists call this free energy Gibbs free energy (abbreviated with the letter G) after Josiah Willard Gibbs, the scientist who developed the measurement. According to the second law of thermodynamics, all energy transfers involve losing some energy in an unusable form such as heat, resulting in entropy. Gibbs free energy...
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The second law of thermodynamics can be stated in several different ways, and all of them can be shown to imply the others. The Clausius’ statement of the second law of thermodynamics is based on the irreversibility of spontaneous heat flow. It states that heat will not flow from the colder body to the hotter body unless some other process is involved. Additionally, as per the Kelvin’s statement, it is impossible to convert the heat from a single source into work without any other...
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Errors as a Means of Reducing Impulsive Food Choice
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Weak data do not make a free lunch, only a cheap meal.

Zhipu Luo1, Kanagalaghatta Rajashankar2, Zbigniew Dauter1

  • 1Synchrotron Radiation Research Section, MCL, National Cancer Institute, Argonne National Laboratory, Argonne, IL 90439, USA.

Acta Crystallographica. Section D, Biological Crystallography
|February 18, 2014
PubMed
Summary

Current methods for determining diffraction data resolution limits may be too conservative. Extending the resolution limit by 0.2 Å can improve structural model quality, especially for anisotropic diffraction data.

Keywords:
data-quality criteriadiffraction data resolution limitnominal resolutionoptical resolution

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Area of Science:

  • Crystallography
  • Structural Biology
  • Data Analysis

Background:

  • Traditional criteria for estimating diffraction data resolution limits may be overly conservative.
  • Various internal data quality and model-data agreement indicators exist but do not reliably estimate resolution cutoff.

Purpose of the Study:

  • To investigate the impact of extending diffraction data resolution limits on structural model quality.
  • To determine if current resolution limit criteria are unnecessarily restrictive.

Main Methods:

  • Processing four data sets at resolutions exceeding traditional criteria.
  • Analyzing model-quality indicators and various statistical parameters (Rmerge, I/σ(I), CC1/2, CC*, R, Rfree).

Main Results:

  • Analysis suggests traditional resolution limit criteria might be conservative.
  • Extending maximum resolution by ~0.2 Å beyond the I/σ(I)=2.0 limit did not degrade refined structural model quality.
  • Extended resolution can be advantageous, particularly for anisotropic diffraction.

Conclusions:

  • Current resolution limit criteria may be too conservative.
  • Extending data resolution is feasible and potentially beneficial, especially for anisotropic data.
  • Extending resolution during data collection and refinement is cost-effective and preferable to overly conservative cutoffs.