Charakterystyka mocy poszczególnych wiązań wodorowych w parach zasad DNA

Szatyłowicz, Halina; Sadlej-Sosnowska, Nina; Jezierska, Aneta

Artykuł - szczegóły

Tytuł artykułu

Charakterystyka mocy poszczególnych wiązań wodorowych w parach zasad DNA

Autorzy

Szatyłowicz Halina , Sadlej-Sosnowska Nina , Jezierska Aneta

Treść / Zawartość

Pełne teksty:

Szatylowicz_H_Charakterystyka_WCh_1-2_2019.pdf

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Warianty tytułu

Characterizing strength of individual hydrogen bonds in DNA base-pairs

Języki publikacji

Abstrakty

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

wiązanie wodorowe pary zasad Watsona-Cricka NBO koncepcja naturalnych orbitali wiązań AIM metoda atomy w cząsteczce

hydrogen bond Watson-Crick base pairs NBO natural bond orbital method AIM atoms in molecules

Wydawca

Polskie Towarzystwo Chemiczne

Czasopismo

Wiadomości Chemiczne

Rocznik

2019

Tom

[Z] 73, 1-2

Strony

53--74

Opis fizyczny

Bibliogr. 50 poz., schem., tab.

Twórcy

autor

Szatyłowicz Halina

halina@ch.pw.edu.pl

Wydział Chemiczny Politechniki Warszawskiej, ul. Noakowskiego 3, 00-664 Warszawa

autor

Sadlej-Sosnowska Nina

Narodowy Instytut Leków, ul. Chełmska 30/34, 00-725 Warszawa

autor

Jezierska Aneta

Wydział Chemii Uniwersytetu Wrocławskiego, ul. F. Joliot-Curie 14, 50-383 Wrocław

Bibliografia

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Uwagi

Opracowanie rekordu w ramach umowy 509/P-DUN/2018 ze środków MNiSW przeznaczonych na działalność upowszechniającą naukę (2019).

Typ dokumentu

Bibliografia

Identyfikator YADDA

bwmeta1.element.baztech-07d95cb1-5346-412d-bf9d-38cba5117706