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    Wyświetlanie 1-6 z 6
    Tytuł:
    Protein thermal stabilization in aqueous solutions of osmolytes
    Autorzy:
    Bruździak, Piotr
    Panuszko, Aneta
    Jourdan, Muriel
    Stangret, Janusz
    Powiązania:
    https://bibliotekanauki.pl/articles/1038842.pdf
    Data publikacji:
    2016
    Wydawca:
    Polskie Towarzystwo Biochemiczne
    Tematy:
    water structure
    protein stability
    circular dichroism
    FT-IR spectroscopy
    DFT calculations
    Opis:
    Proteins' thermal stabilization is a significant problem in various biomedical, biotechnological, and technological applications. We investigated thermal stability of hen egg white lysozyme in aqueous solutions of the following stabilizing osmolytes: Glycine (GLY), N-methylglycine (NMG), N,N-dimethylglycine (DMG), N,N,N-trimethylglycine (TMG), and trimethyl-N-oxide (TMAO). Results of CD-UV spectroscopic investigation were compared with FTIR hydration studies' results. Selected osmolytes increased lysozyme's thermal stability in the following order: Gly>NMG>TMAO≈DMG>TMG. Theoretical calculations (DFT) showed clearly that osmolytes' amino group protons and water molecules interacting with them played a distinctive role in protein thermal stabilization. The results brought us a step closer to the exact mechanism of protein stabilization by osmolytes.
    Źródło:
    Acta Biochimica Polonica; 2016, 63, 1; 65-70
    0001-527X
    Pojawia się w:
    Acta Biochimica Polonica
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    5',8-Cyclo-2'-deoxyadenosine (cdA) formation by γ-radiation. Theoretical quantum mechanics study
    Autorzy:
    Karwowski, Boleslaw
    Grand, Andre
    Cadet, Jean
    Powiązania:
    https://bibliotekanauki.pl/articles/1040482.pdf
    Data publikacji:
    2009
    Wydawca:
    Polskie Towarzystwo Biochemiczne
    Tematy:
    5',8-cyclo-2'-deoxyadenosine
    DNA damage
    ionizing radiation
    density functional theory (DFT)
    Opis:
    Reactions of reactive oxygen species and more specifically - of hydroxyl radical (•OH) - with nucleosides may lead to the generation of radicals in the base and 2-deoxyribose moieties. In the present study emphasis was put on the possible reaction modes of 2'-deoxyadenosine (dA) radicals, leading to the formation of related 5',8-cyclonucleosides. It appears that the prerequisite for the formation of 5',8-cyclo-2'-deoxyadenosine (cdA) is the adoption of O4'-exo conformation by 2-deoxyribose; however, this is the least energetically favored conformer among the different puckered forms adopted by the furanose ring. The O4'-exo conformation was found to be present in each of the discussed mechanisms.
    Źródło:
    Acta Biochimica Polonica; 2009, 56, 4; 655-662
    0001-527X
    Pojawia się w:
    Acta Biochimica Polonica
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Association of model peptides and dehydropeptides: N-acetyl-l-butyrine and (Z)-dehydrobutyrine N',N'-dimethylamides
    Autorzy:
    Broda, Małgorzata
    Rzeszotarska, Barbara
    Powiązania:
    https://bibliotekanauki.pl/articles/1041295.pdf
    Data publikacji:
    2006
    Wydawca:
    Polskie Towarzystwo Biochemiczne
    Tematy:
    ab initio/DFT calculations
    hydrogen bonds
    dimer
    IR spectra
    α,β-dehydroamino acids
    Opis:
    These comparative studies on the aggregation behaviour of Ac-(Z)-ΔAbu-NMe2 and Ac-L-Abu-NMe2 in carbon tetrachloride were performed by the analysis of their FTIR spectra and by theoretical calculations. The percentage of the monomeric form (α) decreased as concentration increased and this occurred to a higher degree for the (Z)-ΔAbu derivative than for its saturated analogue. The dimerization constant KD, calculated on the basis of the intensity of the monomer and associate bands in the νs(N-H) vibration region, is by three orders of magnitude larger for Ac-(Z)-ΔAbu-NMe2 than for Ac-L-Abu-NMe2. The obtained dimer geometries of the dehydro- compound were calculated by the B3LYP/6-31+G** method.
    Źródło:
    Acta Biochimica Polonica; 2006, 53, 1; 221-226
    0001-527X
    Pojawia się w:
    Acta Biochimica Polonica
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Conformational properties of N-acetyl-L-alanine N',N'-dimethylamide.
    Autorzy:
    Siodłak, Dawid
    Rzeszotarska, Barbara
    Broda, Małgorzata
    Powiązania:
    https://bibliotekanauki.pl/articles/1043329.pdf
    Data publikacji:
    2004
    Wydawca:
    Polskie Towarzystwo Biochemiczne
    Tematy:
    ab initio/DFT calculations
    N-alkylpeptides
    β-turns
    alanine derivative
    N',N'-dimethylamides
    peptide design
    Opis:
    Ab initio/DFT analysis of the conformational properties of free Ac-Ala-NMe2 (N-acetyl-L-alanine-N',N'-dimethylamide) in terms of the N-H···O, N-H···N, C-H···O hydrogen bonds and Cδ+ = Oδ- dipole attractions was performed. The Ala residue combined with the C-terminal tertiary amide prefers an extended conformation and that characteristic of the (i + 1)th position of the βVIb turn. These can be easily remodelled into a structure compatible with the (i + 1)th position of the βII/βVIa turn. The residue has also the potential to adopt the conformation accommodated at both central positions of the βIII/βIII' turn or the (i + 1)th position of the βI/β'I turn.
    Źródło:
    Acta Biochimica Polonica; 2004, 51, 1; 137-143
    0001-527X
    Pojawia się w:
    Acta Biochimica Polonica
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Conformational properties of N-acetyl-N-methyl-α,β-dehydroalanine N-methylamide
    Autorzy:
    Macedowska, Agnieszka
    Siodłak, Dawid
    Rzeszotarska, Barbara
    Powiązania:
    https://bibliotekanauki.pl/articles/1041296.pdf
    Data publikacji:
    2006
    Wydawca:
    Polskie Towarzystwo Biochemiczne
    Tematy:
    ab initio/DFT calculations
    N-alkylpeptides
    cis-trans isomerisation
    α,β-dehydroamino acids
    peptide design
    Opis:
    The conformational properties of Ac-Δ(Me)Ala-NHMe (N-acetyl-N-methyl-α,β-dehydroalanine N'-methylamide), as the simplest model of N-methyl-α,β-dehydroamino acids, was examined with theoretical methods and in comparison with Ac-ΔAla-NHMe and Ac-ΔAla-NMe2. The N-terminal amide of the Δ(Me)Ala residue easily adopts the configuration cis and the torsion angles φ, ψ are highly flexible. The Δ(Me)Ala residue is a conformational flexibilizer as compared to the parent ΔAla, which is a conformational stiffener. This seems to be the reason why Δ(Me)Ala is found in small natural cyclic peptides, where it ensures the conformational flexibility necessary for biological action.
    Źródło:
    Acta Biochimica Polonica; 2006, 53, 1; 227-232
    0001-527X
    Pojawia się w:
    Acta Biochimica Polonica
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Conformational investigation of α,β-dehydropeptides. XIII. Conformational properties of N-acetyl-α,β-dehydrovaline N',N'-dimethylamide.
    Autorzy:
    Siodłak, Dawid
    Rzeszotarska, Barbara
    Broda, Małgorzata
    Kozioł, Anna
    Kołodziejczyk, Edyta
    Powiązania:
    https://bibliotekanauki.pl/articles/1043332.pdf
    Data publikacji:
    2004
    Wydawca:
    Polskie Towarzystwo Biochemiczne
    Tematy:
    ab initio/DFT calculations
    N',N'-dimethylamides
    X-ray crystallography
    α,β-dehydroamino acids
    peptide design
    valine derivative
    Opis:
    The crystal structure of Ac-ΔVal-NMe2 (ΔVal = α,β-dehydrovaline) was determined by X-ray crystallography. The found angles φ = -60° and ψ = 125° correspond exactly to the respective values of the (i + 1)th residue in idealised β-turn II/VIa. Ab initio/DFT studies revealed that the molecule adopts the angle ψ restricted only to about |130°| and very readily attains the angle φ = about -50°. This is in line with its solid-state conformation. Taken together, these data suggest that the ΔVal residue combined with a C-terminal tertiary amide is a good candidate at the (i + 1)th position in a type II/VIa β-turn.
    Źródło:
    Acta Biochimica Polonica; 2004, 51, 1; 145-152
    0001-527X
    Pojawia się w:
    Acta Biochimica Polonica
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
      Wyświetlanie 1-6 z 6

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