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¹H NMR: Complex Splitting01:13

¹H NMR: Complex Splitting

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A proton M that is coupled to a proton X results in doublet signals for M. However, NMR-active nuclei can be simultaneously coupled to more than one nonequivalent nucleus. When M is coupled to a second proton A, such as in styrene oxide, each peak in the doublet is split into another doublet.
Splitting diagrams or splitting tree diagrams are routinely used to depict such complex couplings. While drawing splitting diagrams, the splitting with the larger coupling constant is usually applied...
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Proton (¹H) NMR: Chemical Shift01:07

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Organic molecules primarily contain carbon and hydrogen atoms. While all the hydrogen isotopes are NMR-active, protium or hydrogen-1 is the most abundant. It has a significant energy separation between its nuclear spin states due to its large gyromagnetic ratio. As per Boltzmann's distribution, an increase in the energy separation implies a greater excess population of nuclei available for excitation, resulting in a strong NMR absorption signal.
Absorption signals of all the protium nuclei...
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¹H NMR of Labile Protons: Deuterium (²H) Substitution00:48

¹H NMR of Labile Protons: Deuterium (²H) Substitution

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This lesson illustrates the role of deuterium substitution in simplifying the NMR spectrum of compounds comprising labile protons. One method employed is the use of deuterium. Amongst the three isotopes of hydrogen, deuterium (2H) has a nucleus composed of one proton and one neutron. When the D2O solvent is added to a pure dry ethanol solution, its labile proton is substituted with deuterium.
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Mass Spectrum: Interpretation01:24

Mass Spectrum: Interpretation

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An unknown compound can be established by identifying the molecular ion peak in the mass spectrum. The molecular ion peak is often weak or absent due to the predominance of fragmentation in high-energy electron beams. In such cases, a soft-energy electron beam can be used to scan the spectrum to enhance the intensity of the molecular ion peak. Additionally, chemical ionization, field ionization, and desorption ionization spectra are used to obtain a relatively intense molecular ion peak.To...
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Composition of Polyprotic Acid Solutions as a Function of pH01:19

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Polyprotic acids of the type H2M constitute two ionizable protons. As a result, on titration with a base, they exhibit two equivalence points in the titration curve. During titration, the species H2M, HM−, and M2− will be present in the solution at different points. The fractions of H2M, HM−, and M2− present at the various instances of the titration are denoted by α0, α1, and α2, respectively.
A graph with the alpha values is plotted against the volume of...
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¹H NMR Chemical Shift Equivalence: Homotopic and Heterotopic Protons01:03

¹H NMR Chemical Shift Equivalence: Homotopic and Heterotopic Protons

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Protons in identical electronic environments within a molecule are chemically equivalent and have the same chemical shift. The replacement test is a useful tool to identify chemical equivalence and predict NMR spectra. A substituent replaces each of the protons being examined and the resulting molecules are compared. If the same molecule is obtained, the protons are equivalent or homotopic. Replacement of any hydrogens in ethane by chlorine yields chloroethane because all six protons are...
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Technical Note: On the analytical proton dose evaluation in compounds and mixtures.

Fatemeh S Rasouli1, S Farhad Masoudi1, David Jette2

  • 1Department of Physics, K.N. Toosi University of Technology, P.O. Box 15875-4416, Tehran 15418-49611, Iran.

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This study presents general formulas to calculate parameters for the Bortfeld model, enabling accurate proton depth-dose distribution calculations in various materials for proton radiotherapy. The new method enhances the model's applicability beyond materials listed in nuclear data tables.

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Area of Science:

  • Medical Physics
  • Radiation Oncology
  • Nuclear Physics

Background:

  • Existing analytical theories model proton depth-dose distributions in homogeneous media using physical interactions.
  • The Bortfeld model, based on parabolic cylinder functions, calculates dose transfer but requires specific parameters from nuclear data tables.
  • This limitation restricts the Bortfeld model's application to materials with pre-existing data.

Purpose of the Study:

  • To develop general analytical solutions for calculating the Bortfeld model parameters for arbitrary compounds and mixtures.
  • To extend the applicability of the Bortfeld model to a wider range of materials, including those not found in nuclear data tables.

Main Methods:

  • Investigated analytical methods for determining the three key Bortfeld model parameters, inspired by proton range and nonelastic interaction formulas.
  • Validated the accuracy of the proposed methods by comparing results with those derived from nuclear data tables.
  • Calculated depth-dose distributions using the Bortfeld model with the newly derived parameters.

Main Results:

  • The analytical depth-dose model predictions using the derived parameters closely matched results obtained from nuclear data tables for various compounds.
  • The developed formulas provide accurate parameter calculations for arbitrary material compositions.

Conclusions:

  • The presented general formulas are mathematically straightforward and applicable to nearly all compounds and mixtures.
  • These formulas significantly enhance the practicality and advantages of the Bortfeld model for proton radiotherapy applications.
  • The study overcomes the data limitations of the original Bortfeld model, making it more versatile.