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Related Concept Videos

Entropy01:18

Entropy

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The first law of thermodynamics is quantitatively formulated via an equation relating the internal energy of a system, the heat exchanged by it, and the work done on it. A quantitative formulation of the second law of thermodynamics leads to defining a state function, the entropy.
When an ideal gas expands isothermally, the disorder in the gas increases. From the molecular perspective, the gas molecules have more volume to move around in.
Consider an infinitesimal step in the expansion, which...
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Entropy02:39

Entropy

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Salt particles that have dissolved in water never spontaneously come back together in solution to reform solid particles. Moreover, a gas that has expanded in a vacuum remains dispersed and never spontaneously reassembles. The unidirectional nature of these phenomena is the result of a thermodynamic state function called entropy (S). Entropy is the measure of the extent to which the energy is dispersed throughout a system, or in other words, it is proportional to the degree of disorder of a...
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Third Law of Thermodynamics02:38

Third Law of Thermodynamics

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A pure, perfectly crystalline solid possessing no kinetic energy (that is, at a temperature of absolute zero, 0 K) may be described by a single microstate, as its purity, perfect crystallinity,and complete lack of motion means there is but one possible location for each identical atom or molecule comprising the crystal (W = 1). According to the Boltzmann equation, the entropy of this system is zero.
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The Second Law of Thermodynamics01:14

The Second Law of Thermodynamics

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In the quest to identify a property that may reliably predict the spontaneity of a process, a promising candidate has been identified: entropy. Scientists refer to the measure of randomness or disorder within a system as entropy. High entropy means high disorder and low energy. To better understand entropy, think of a student’s bedroom. If no energy or work were put into it, the room would quickly become messy. It would exist in a very disordered state, one of high entropy. Energy must be...
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Entropy and the Second Law of Thermodynamics01:20

Entropy and the Second Law of Thermodynamics

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The second law of thermodynamics can be stated quantitatively using the concept of entropy. Entropy is the measure of disorder of the system.
The relation  between entropy and disorder can be illustrated with the example of the phase change of ice to water. In ice, the molecules are located at specific sites giving a solid state, whereas, in a liquid form, these molecules are much freer to move. The molecular arrangement has therefore become more randomized. Although the change in average...
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Second Law of Thermodynamics02:49

Second Law of Thermodynamics

27.2K
In the quest to identify a property that may reliably predict the spontaneity of a process, a promising candidate has been identified: entropy. Processes that involve an increase in entropy of the system (ΔS > 0) are very often spontaneous; however, examples to the contrary are plentiful. By expanding consideration of entropy changes to include the surroundings, a significant conclusion regarding the relation between this property and spontaneity may be reached. In thermodynamic models, the...
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Unraveling Entropic Rate Acceleration Induced by Solvent Dynamics in Membrane Enzymes
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Thermal Shift as an Entropy-Driven Effect.

Martin Redhead1, Rupert Satchell1, Ciara McCarthy1

  • 1Bioscience Department, Sygnature Discovery , Nottingham NG1 1GF, U.K.

Biochemistry
|November 8, 2017
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Summary
This summary is machine-generated.

This study introduces a new thermodynamic framework for analyzing thermal shift assays (TSAs). The models provide quantitative insights into protein-ligand interactions and correlate well with other biophysical techniques.

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Area of Science:

  • Biophysics
  • Drug Discovery
  • Structural Biology

Background:

  • Thermal shift assays (TSAs) are widely used in drug discovery for biophysical analysis.
  • Current TSA data interpretation is often qualitative, relying solely on melting temperature changes (ΔTm).
  • Existing models lack theoretical descriptions for protein-ligand interactions, especially with multiple ligands.

Purpose of the Study:

  • To develop a novel, simplified analytical framework for interpreting TSA data.
  • To provide exact thermodynamic descriptions of protein-ligand melt behavior.
  • To enable quantitative analysis of single and multiple ligand interactions.

Main Methods:

  • Development of a simplified analytical framework based on "pseudoisothermal" models.
  • Application of exact thermodynamic descriptions rooted in changes in the entropy of melting.
  • Validation of models against experimental data and correlation with other biophysical techniques.

Main Results:

  • The proposed models offer a broad and independently applicable framework for analyzing macromolecule behavior (proteins, DNA).
  • Demonstrated good correlations between the models and other established biophysical techniques.
  • Successfully described assay systems with single or multiple ligands, elucidating interaction mechanisms.

Conclusions:

  • The novel framework provides a quantitative and theoretically grounded approach to TSA data analysis.
  • The models enhance the understanding of protein-ligand interactions and their mechanisms.
  • This work bridges the gap between qualitative and quantitative interpretations in TSA, improving its utility in drug discovery.