Temat: zasada Schiffa - Katalog OPAC zbiorów

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Tytuł:: Zasady Schiffa : wybrane syntezy, reakcje i aktywność biologiczna
Schiff bases : selected syntheses, reactions and biological activity
Autorzy:: Nowicka, A.
Liszkiewicz, H.
Nawrocka, W. P.
Powiązania:: https://bibliotekanauki.pl/articles/172082.pdf
Data publikacji:: 2014
Wydawca:: Polskie Towarzystwo Chemiczne
Tematy:: zasada Schiffa
iminy
aktywność biologiczna
synteza
struktura
Schiff bases
imines
biological activity
synthesis
structure
Opis:: Schiff bases are compounds with a functional group that contains a carbon- -nitrogen double bond with the nitrogen atom connected to an aryl or alkyl group. Schiff bases are condensation products of primary amines with carbonyl compound. Several studies showed that the presence of a lone pair of electrons on the nitrogen atom of the azomethine determine biological and chemical properties of imines. Schiff bases are generally excellent chelating agents, because of the special properties of C=N bond. Their metal complexes have been widely studied because they possess anticancer in vitro and herbicidal applications. Imines also have biological importance. Schiff bases are common enzymatic intermediates where an amine reacts with an aldehyde or ketone of a cofactor or a substrate. Imines have been reported for their biological properties such as antibacterial (E. coli, S. aureus), antifungal (C. albicans) activities. A large number of different Schiff bases are active against a wide range of protozoan (T. gypseum, P. viticola).
Źródło:: Wiadomości Chemiczne; 2014, 68, 3-4; 187-209
0043-5104
2300-0295
Pojawia się w:: Wiadomości Chemiczne
Dostawca treści:: Biblioteka Nauki

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Skocz do pozycji: 2.

Tytuł:: Zastosowanie metod dynamiki molekularnej w badaniach nad układami z wiązaniami wodorowymi
An application of molecular dynamics methods in investigations of systems with hydrogen bonds
Autorzy:: Jezierska, A.
Panek, J. J.
Powiązania:: https://bibliotekanauki.pl/articles/172356.pdf
Data publikacji:: 2017
Wydawca:: Polskie Towarzystwo Chemiczne
Tematy:: CPMD
dynamika molekularna Cara-Parrinello
klasyczna dynamika molekularna
wewnątrzcząsteczkowe wiązanie wodorowe
międzycząsteczkowe wiązanie wodorowe
zasada Schiffa
zasada Mannicha
N-tlenki
białka
Car-Parrinello molecular dynamics
classical MD
intramolecular HB
intermolecular HB
Schiff base
Mannich base
N-oxides
proteins
Opis:: Modern computational chemistry offers a wide variety of methods allowing us to investigate very complex systems. In the current study, we would like to focus on ab initio and classical molecular dynamics to show their applications in our research. Car-Parrinello molecular dynamics (CPMD) was carried out to study compounds possessing intra- and intermolecular hydrogen bonds. Our simulations were performed in vacuum, in solvent and in crystalline phase. It is well known that intramolecular hydrogen bonding stabilizes 3D structure of molecules. The strength of the bonding and its features are influenced by inductive and steric effects. Our short overview on CPMD application to systems with intramolecular HB we start from Schiff and Mannich bases -model compounds to investigate intramolecular hydrogen bonding. Other examples reported here derive from the class of N-oxide type compounds. Special attention was devoted to another representative structure in such investigations – picolinic acid N-oxide. In some examples listed above proton transfer phenomena occurred making these compounds interesting objects for future excited state studies. Aliphatic boronic acid was used as a model example to study intermolecular hydrogen bonds based on CPMD method. Further, classical molecular dynamics was applied to investigate proteins. Here, we would like to report our results for two biomolecules. The first one is proteinase K for which the impact of mercury(II) on its catalytic center was studied. The second one is streptavidin. For the latter one its complexes with biotinylated ligands were investigated. We close our review with a paragraph describing further development and perspectives related to CPMD method.
Źródło:: Wiadomości Chemiczne; 2017, 71, 7-8; 473-495
0043-5104
2300-0295
Pojawia się w:: Wiadomości Chemiczne
Dostawca treści:: Biblioteka Nauki

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