Autor: Barczak, Mariusz - Katalog OPAC zbiorów

Skocz do pozycji: 1.

Tytuł:: Nanoporous Silica-Based Materials for Sorption of Pharmaceuticals and Biomolecules
Autorzy:: Gdula, Karolina
Barczak, Mariusz
Powiązania:: https://bibliotekanauki.pl/articles/951391.pdf
Data publikacji:: 2013
Wydawca:: Uniwersytet Marii Curie-Skłodowskiej. Wydawnictwo Uniwersytetu Marii Curie-Skłodowskiej
Tematy:: nanoporous silica-based materials
adsorption
pharmaceuticals
biomolecules
environmental protection
Opis:: Our concern in this paper is to review four kinds of mesoporous silica materials which can be used as potential sorbents for pharmaceuticals. It is known that a continuous development of science, medicine and food industry has an effect on contamination of the natural environment. Moreover, many impurities, such as drugs, vitamins or proteins etc., which get into environment from urban and hospital wastes, can also influence on human organisms. Thus, there is a need to control an amount of those compounds, especially in the natural waters and wastewaters [1-4]. In this work, we present four types of silica materials which can be helpful in water purification by using adsorption process.
Źródło:: Annales Universitatis Mariae Curie-Skłodowska, sectio AA – Chemia; 2013, 68, 1-2
2083-358X
Pojawia się w:: Annales Universitatis Mariae Curie-Skłodowska, sectio AA – Chemia
Dostawca treści:: Biblioteka Nauki

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Skocz do pozycji: 2.

Tytuł:: An effective scaling frequency factor method (ESFF): review and local factors transferability problem
Autorzy:: Gdula, Karolina
Barczak, Mariusz
Borowski, Piotr
Powiązania:: https://bibliotekanauki.pl/articles/2079998.pdf
Data publikacji:: 2012-12-01
Wydawca:: Uniwersytet Marii Curie-Skłodowskiej. Wydawnictwo Uniwersytetu Marii Curie-Skłodowskiej
Opis:: Scaling procedures are known to reproduce very accurate vibrational spectra provided that multiparameter scaling in conjunction with high-quality force fields is carried out. In contrast to purely theoretical approaches (variational and perturbational), they are applicable to large systems. In this work, a brief review of the scaling procedures is given. The emphasis is put on the recently proposed effective scaling frequency factor (ESFF) method [Chem. Phys. Lett., 446, 191, (2007), J. Mol. Spectr., 264, 66, (2010)] - the multiparameter frequency scaling method providing better scaled frequencies than the well-established scaled quantum mechanical (SQM) force field approach. In addition, the results of our calculations on the benzene-based related systems, i.e., benzene and most of its methyl derivatives, are presented. The calculations concern the middle- and low-frequency range of the vibrational spectra, where strong mixing of the local vibrations often takes place. The factors transferability problem is discussed.
Źródło:: Annales Universitatis Mariae Curie-Skłodowska, sectio AA – Chemia; 2012, 67, 1-2; 131-153
2083-358X
Pojawia się w:: Annales Universitatis Mariae Curie-Skłodowska, sectio AA – Chemia
Dostawca treści:: Biblioteka Nauki

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