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    Wyświetlanie 1-2 z 2
    Tytuł:
    Charakterystyka mocy poszczególnych wiązań wodorowych w parach zasad DNA
    Characterizing strength of individual hydrogen bonds in DNA base-pairs
    Autorzy:
    Szatyłowicz, Halina
    Sadlej-Sosnowska, Nina
    Jezierska, Aneta
    Powiązania:
    https://bibliotekanauki.pl/articles/172292.pdf
    Data publikacji:
    2019
    Wydawca:
    Polskie Towarzystwo Chemiczne
    Tematy:
    wiązanie wodorowe
    pary zasad Watsona-Cricka
    NBO
    koncepcja naturalnych orbitali wiązań
    AIM
    metoda atomy w cząsteczce
    hydrogen bond
    Watson-Crick base pairs
    natural bond orbital method
    atoms in molecules
    Opis:
    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.
    Źródło:
    Wiadomości Chemiczne; 2019, 73, 1-2; 53-74
    0043-5104
    2300-0295
    Pojawia się w:
    Wiadomości Chemiczne
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Wiązanie wodorowe i inne oddziaływania typu kwas Lewisa-zasada Lewisa
    The hydrogen bond and the other Lewis acid-Lewis base interactions
    Autorzy:
    Grabowski, S. J.
    Powiązania:
    https://bibliotekanauki.pl/articles/171998.pdf
    Data publikacji:
    2011
    Wydawca:
    Polskie Towarzystwo Chemiczne
    Tematy:
    wiązanie wodorowe
    wiązanie halogenowe
    wiązanie wodorkowe
    oddziaływanie kwas Lewisa-zasada Lewisa
    teoria Atomy w Cząsteczkach
    hydrogen bond
    halogen bond
    hydride bond
    Lewis acid-Lewis base interaction
    atoms in molecules theory
    AIM
    Opis:
    Hydrogen bond is analyzed very often since its importance in numerous chemical, physical and biological processes is very well known. It covers the broad range of various interactions; sometimes this is the subject of discussions and polemics if some of them may be classified as hydrogen bonds. This is because there are numerous definitions of hydrogen bond interaction, often they are hardly accepted since they are not univocal. For example one can mention different types of the proton acceptors for hydrogen bonds; one center electronegative atoms, multi-center acceptors such as đ-electrons or even ó-electrons. There are the other interactions which play the key role in various processes and phenomena. All are often named as no-covalent interactions but the other term, Lewis acid–Lewis base interactions seems to be more accurate. One can mention halogen bond, hydride bond or dihydrogen bond. These interactions may be treated as counterparts or competitors of hydrogen bond. The common characteristic for them, including hydrogen bond, is the electron charge transfer from the Lewis base to the Lewis acid. It was found that the amount of this transfer corresponds roughly to the strength of the interaction. In recent years the ó-hole concept was introduced and developed and it was applied to the Lewis base–Lewis acid interactions. According to this concept the atomic centers are characterized by the presence of the regions of positive and negative electrostatic potentials; very often both regions are detected even for atoms which are commonly known as electronegative ones. In such a way halogen atoms, especially if connected by covalent bond with carbon, may act as Lewis acids and also as Lewis bases. In the first case the halogen bond is formed, recently extensively studied. In this review the characteristics of different Lewis base–Lewis acid interactions are given as well as their common features are presented.
    Źródło:
    Wiadomości Chemiczne; 2011, 65, 11-12; 975-1001
    0043-5104
    2300-0295
    Pojawia się w:
    Wiadomości Chemiczne
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
      Wyświetlanie 1-2 z 2

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