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Chemistry of Carbohydrates03:25

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Carbohydrates are an essential part of the diet in humans and animals. Grains, fruits, and vegetables are natural sources of carbohydrates that provide energy to the body, particularly through glucose, a simple sugar that is a component of starch and an ingredient in many staple foods. The stoichiometric formula (CH2O)n, where n is the number of carbons in the molecule represents carbohydrates. In other words, the ratio of carbon to hydrogen to oxygen is 1:2:1 in carbohydrate molecules. This...
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Carbohydrates, proteins, and fats are the primary macronutrients in the human diet. However, carbohydrates are the most favored source of energy in the body. They can be found in a wide variety of foods, including whole grains, fruit, and vegetables, in various forms, such as sugars, starch, and dietary fiber. Based on their structure, carbohydrates are classified into three main classes— monosaccharides, disaccharides, and polysaccharides. The body's cells can only utilize simple...
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The Guinness molecules for the carbohydrate formula.

Jonas Altnöder1, Kerstin Krüger, Dmitriy Borodin

  • 1Institut für Physikalische Chemie, Georg-August-Universität Göttingen, Tammannstr. 6, D-37077, Göttingen, Germany.

Chemical Record (New York, N.Y.)
|October 16, 2014
PubMed
Summary

Small molecule aggregates are the most stable structures for carbon, oxygen, and hydrogen. Near 60 atoms, carbon allotropes and ice become the most stable, impacting astrochemical and fermentation processes.

Keywords:
bond energycarbohydratescomputational chemistrydensity functional calculationsthermodynamics

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Area of Science:

  • Computational chemistry
  • Chemical physics
  • Astrochemistry

Background:

  • Understanding the energetic stability of molecular systems is crucial for various scientific disciplines.
  • The energetic landscape of small molecules containing carbon, oxygen, and hydrogen is complex and not fully understood.
  • Accurate computational methods are needed to predict stable molecular structures.

Purpose of the Study:

  • To systematically analyze the most stable spatial arrangements of n carbon, n oxygen, and 2n hydrogen atoms.
  • To investigate the energetic stability of these molecular systems, including vibrational zero-point energy.
  • To explore the implications for astrochemical and fermentation processes.

Main Methods:

  • Systematic review and analysis of molecular structures.
  • Inclusion of vibrational zero-point energy in stability calculations.
  • Computational modeling using density functionals.

Main Results:

  • Small-molecule aggregates exhibit the highest stability for small n.
  • Thermally and kinetically stable molecules follow, with carbohydrates being less stable.
  • A crossover to carbon allotropes and ice as global minimum structures is predicted around n ≈ 60.
  • The asymptotic limit suggests graphite and ice as the most stable structures.

Conclusions:

  • The study reveals a clear trend in the stability of carbon-oxygen-hydrogen systems as a function of size.
  • Density functionals like B3LYPD3 show limitations in accurately describing these energy sequences.
  • Findings have significant implications for understanding chemical processes in astrochemical environments and industrial fermentation.