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Related Concept Videos

Types Of Collisions - I01:04

Types Of Collisions - I

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When two objects come in direct contact with each other, it is called a collision. During a collision, two or more objects exert forces on each other in a relatively short amount of time. A collision can be categorized as either an elastic or inelastic collision. If two or more objects approach each other, collide and then bounce off, moving away from each other with the same relative speed at which they approached each other, the total kinetic energy of the system is said to be conserved. This...
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Types of Collisions - II01:19

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When two or more objects collide with each other, they can stick together to form one single composite object (after collision). The total mass of the object after the collision is the sum of the masses of the original objects, and it moves with a velocity dictated by the conservation of momentum. Although the system's total momentum remains constant, the kinetic energy decreases, and thus such a collision is an inelastic collision. Most of the collisions between objects in daily life are...
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Crossing Over01:34

Crossing Over

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Unlike mitosis, meiosis aims for genetic diversity in its creation of haploid gametes. Dividing germ cells first begin this process in prophase I, where each chromosome—replicated in S phase—is now composed of two sister chromatids (identical copies) joined centrally.
The homologous pairs of sister chromosomes—one from the maternal and one from the paternal genome—then begin to align alongside each other lengthwise, matching corresponding DNA positions in a process...
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Basic Postulates of Kinetic Molecular Theory: Particle Size, Energy, and Collision02:43

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The ideal-gas equation, which is empirical, describes the behavior of gases by establishing relationships between their macroscopic properties. For example, Charles’ law states that volume and temperature are directly related. Gases, therefore, expand when heated at constant pressure. Although gas laws explain how the macroscopic properties change relative to one another, it does not explain the rationale behind it.
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Elastic Collisions: Introduction01:00

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An elastic collision is one that conserves both internal kinetic energy and momentum. Internal kinetic energy is the sum of the kinetic energies of the objects in a system. Truly elastic collisions can only be achieved with subatomic particles, such as electrons striking nuclei. Macroscopic collisions can be very nearly, but not quite, elastic, as some kinetic energy is always converted into other forms of energy such as heat transfer due to friction and sound. An example of a nearly...
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Elastic Collisions: Case Study01:15

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Elastic collision of a system demands conservation of both momentum and kinetic energy. To solve problems involving one-dimensional elastic collisions between two objects, the equations for conservation of momentum and conservation of internal kinetic energy can be used. For the two objects, the sum of momentum before the collision equals the total momentum after the collision. An elastic collision conserves internal kinetic energy, and so the sum of kinetic energies before the collision equals...
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Methods for Performing Crosses in Setaria viridis, a New Model System for the Grasses
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High performance collision cross section calculation-HPCCS.

Leandro Zanotto1, Gabriel Heerdt1, Paulo C T Souza1,2

  • 1Institute of Chemistry and Center for Computational Engineering & Sciences, University of Campinas, Campinas, São Paulo, 13083-852, Brazil.

Journal of Computational Chemistry
|March 3, 2018
PubMed
Summary
This summary is machine-generated.

A new software, HPCCS, accelerates the calculation of collision cross section (CCS) for Ion Mobility coupled with Mass Spectrometry (IM-MS) data. This high-performance computing tool aids in interpreting complex molecular structures more efficiently.

Keywords:
HPCcollision cross sectionion mobilitymass spectrometrytrajectory method

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Area of Science:

  • Analytical Chemistry
  • Computational Chemistry
  • Biophysics

Background:

  • Ion Mobility coupled with Mass Spectrometry (IM-MS) is widely used for molecular separation and structural analysis.
  • Interpreting IM-MS data often requires theoretical calculation of Collision Cross Section (CCS).
  • Existing methods for CCS calculation can be computationally intensive and time-consuming.

Discussion:

  • HPCCS software utilizes high-performance computing and the trajectory method for accurate CCS calculations.
  • It supports a wide range of molecules, from small organics to large protein complexes.
  • The software employs helium or nitrogen as buffer gases.

Key Insights:

  • HPCCS offers significant computational time savings compared to existing codes at the same theoretical level.
  • The software provides accurate CCS values, aiding in the interpretation of IM-MS experimental data.
  • It enables more efficient structural elucidation of diverse molecular systems.

Outlook:

  • HPCCS has the potential to become a standard tool for IM-MS data analysis in research laboratories.
  • Further development could expand its applicability to other buffer gases or theoretical approaches.
  • The increased efficiency may facilitate high-throughput analysis of complex biological samples.