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6 results on '"Zielkiewicz, Jan"'

3. Effects of urea and trimethylamine-N-oxide on the properties of water and the secondary structure of hen egg white lysozyme

Author

Panuszko, Aneta, Brudziak, Piotr, Zielkiewicz, Jan, Wyrzykowski, Dariusz, and Stangret, Janusz

Subjects
Density functionals -- Usage, Fourier transform infrared spectroscopy -- Usage, Hydration (Chemistry) -- Analysis, Lysozyme -- Chemical properties, Molecular dynamics -- Usage, Urea -- Chemical properties, Chemicals, plastics and rubber industries
Published
2009

5. Two-particle entropy and structural ordering in liquid water

Author

Zielkiewicz, Jan

Subjects
Entropy (Physics) -- Evaluation, Hydration (Chemistry) -- Analysis, Water -- Thermal properties, Water -- Chemical properties, Chemicals, plastics and rubber industries
Abstract

The entropies of simple point charge (SPC) water are calculated over a wide temperature by using the two-particle correlation function approximation. The results have shown that the first hydration shell around the water molecule has participated in 70% of the total orientational entropy of water and this rate is roughly temperature independent.

Published
2008

6. Hydration of simple amides. FTIR spectra of HDO and theoretical studies

Author

Panuszko, Aneta, Gojlo, Emilia, Zielkiewicz, Jan, Smiechowski, Maciej, Krakowiak, Joanna, and Strangret, Janusz

Subjects
Hydration (Chemistry) -- Analysis, Amides -- Chemical properties, Amides -- Optical properties, Fourier transform infrared spectroscopy -- Technology application, Technology application, Chemicals, plastics and rubber industries
Abstract

The hydration of simple formamide (F), N-methylformamide (NMF), N,N-dimethylformamide (DMF), acetamide (A), N-methylacetamide (NMA) and N,N'-dimethylacetamide (DMA) is analyzed in aqueous solutions by using Fourier transform infrared (FTIR) spectra of HDO isotopically diluted in [H.sub.2]O. The increased stability of the hydration sphere of NMA relative to DMA and of NMF relative to DMF has its origin in different geometries and also the stability of water cages containing the amides.

Published
2008

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