Generalized phase behavior of small molecules and nanoparticles

Article Abstract:

The pair contribution of the long-time self-diffusivity determined by pulsed-field gradient spin-echo nuclear magnetic resonance is used as a predictor of the solubility of small hydrogen-bonding molecules. The results have shown that the equilibrium behavior of small and large molecules is very similar when compared on similar basis.

Nuclear magnetic resonance spectroscopy, Spectra, Nanoparticles

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Quantifying the intrinsic effects of two point mutation models of pro-pro-pro triamino acid diamide. a first-principle computational study

Article Abstract:

Stabilities and conformational properties of two Pro related to Thr point mutation models are computed at the B3LYP/6-31 G(d) level of theory for the parent triamino acid diamide Pro-Pro-Pro (HCO-Pro-Pro-Pro-N[H.sub.2]). Study describes an approach to analyzing a point mutation at the center of a peptide chain.

Microbial mutation, Amides, Chemical properties

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Quantifying the intrinsic effects of two point mutation models of proline-proline diamino acid diamide: a first-principle computational study

Article Abstract:

A first-principle computational study is conducted to study the various intrinsic effects of the two point mutation models of proline-proline (pro-pro) diamino acid diamide. The results show that the intramolecular hydrogen bonds are very important to maintain the stability of the peptide models.

Structure, Diamines, Proline

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