Long-Term Memory Effect in Spatial Series of Model Peptides Composed of Glycine and Alanine

Va, Grigor'ev; Grigoreva, L. D.

doi:10.3103/s0027131419050043

Cited by 1 publication

(2 citation statements)

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“…In addition, the influence of structural changes on the properties and relationship of fractal descriptors with other well-known descriptors was investigated. In particular, in [ 19 , 20 ], we calculated and studied the behavior of the Hurst exponents of some organic molecules in a gas phase and found that the series formed using interatomic distance histograms had H > 0.5; that is, they are persistent. However, as was found in this work, the spatial series of the two crystalline allotropic modifications of carbon are antipersistent.…”

Section: Resultsmentioning

confidence: 99%

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Memory Effect in the Spatial Series Based on Diamond and Graphite Crystals

et al. 2020

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To study the relation between the structure of a compound and its properties is one of the fundamental trends in chemistry and materials science. A classic example is the well-known influence of the structures of diamond and graphite on their physicochemical properties, in particular, hardness. However, some other properties of these allotropic modifications of carbon, e.g., fractal properties, are poorly understood. In this work, the spatial series (interatomic distance histograms) calculated using the crystal structures of diamond and graphite are investigated. Hurst exponents H are estimated using detrended fluctuation analysis and power spectral density. The values of H are found to be 0.27–0.32 and 0.37–0.42 for diamond and graphite, respectively. The calculated data suggest that the spatial series have long memory with a negative correlation between the terms of the series; that is, they are antipersistent.

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Section: Resultsmentioning

confidence: 99%

“…A new approach to studying the relation between the structure of a chemical compound and its properties is the use of an interatomic distance histogram as a spatial series [ 18 , 19 , 20 ]. In particular, when the homologous series of organic compounds were studied, the series length was found not to affect the Hurst exponent.…”

Section: Introductionmentioning

confidence: 99%