Properties and energetics for design and characterization of chitosan nanoparticles used for drug encapsulation

This work presents a theoretical study of the energetics, as well as the optical and mechanical properties of chitosan nanoparticles, supported by experimental findings

Emmanuel N. Koukaras

2014

Scholarcy highlights

  • This work presents a theoretical study of the energetics, as well as the optical and mechanical properties of chitosan nanoparticles, supported by experimental findings
  • Depending on the protonation of chitosan and the relative orientation, the interaction energies of chitosan with tripolyphosphate are computed as 12.3 kcal mol−1, 15.4 kcal mol−1, 17.7 kcal mol−1, 30.8 kcal mol−1, and 68.3 kcal mol−1, 21.2 kcal mol−1
  • The reported theoretical IR and UV/Vis spectra are in good agreement with the corresponding experimental spectra
  • Reproduced material should be attributed as follows: For reproduction of material from NJC: - Reproduced by permission of The Royal Society of Chemistry on behalf of the Centre National de la Recherche Scientifique and the RSC

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