Repozytorium
Wyszukaj
Kolekcje
Inne
Charakterystyka mocy poszczególnych wiązań wodorowych w parach zasad DNA = Characterizing strength of individual hydrogen bonds in DNA base-pairs.
Autorzy
Rok wydania
2019
Czasopismo
Numer woluminu
73
Strony
53-74
Kolekcja
Język
Polski
Typ publikacji
Artykuł
The main idea of the current review is to present methods useful to characterize the strength of individual hydrogen bonds in nucleic acids base-pairs. In the paper, the Authors discuss the energy definition of intermolecular interactions taking into account the presence of one intermolecular hydrogen bond (HB) as well as the situation when several intermolecular interactions (namely intermolecular hydrogen bonds) are present. In the Section 2 of the review a general overview of methods developed to estimate the strength of the individual intermolecular hydrogen bond in DNA/RNA base-pairs is presented. Thus, the reader can find detailed information on the methods used so far: the rotational method (2003), compliance constants method (2004), the EML equation application (2006), the atom replacement method (2007), the estimation of hydrogen bond energy on the basis of electron density (calculated by using the AIM theory) at BCP values (2009), the application of NBO method (2010), the comparison of HB strength based on the last two approaches (2015) and the application of coordinates interaction approach (2017). It should be emphasized, that these methods allow to estimate the strength of intermolecular interactions both in the model base-pairs and in other systems with several intermolecular hydrogen bonds. The discussion of the presented methods is supported by Tables 1-10, containing numerical values characteristics of the strength of the particular HB, and Figures 1–2. The section 3 contains a critical comparison of results based on the presented methods. Concluding remarks are given in the last Section.
Słowa kluczowe
hydrogen bond, Watson-Crick base pairs, NBO, natural bond orbital method, AIM, atoms in molecules
wiązanie wodorowe, pary zasad Watsona-Cricka, NBO, koncepcja naturalnych orbitali wiązań, AIM, metoda atomy w cząsteczce
Licencja otwartego dostępu
Adres publiczny
https://www.dbc.wroc.pl/dlibra/publication/118066/edition/63708
Podobne publikacje
Hydroxyl group as a substituent with varying electronic properties: effect of strength of H-bonding on charge density changes in Ph-OH…F- complexes.
Szatyłowicz Halina, Krygowski Tadeusz M., Jezierska-Mazzarello Aneta
Structural and electronic structure differences due to the O–H···O and O–H···S bond formation in selected benzamide derivatives: a first-principles molecular dynamics study.
Jezierska Aneta, Panek Jarosław J., Mazzarello R.