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EN
Synthesis of SBA-15 mesoporous organosilicas functionalized by phenylamino and gluconamide groups is reported. The organosilicas have been synthesized by co-condensation of proper monomers in the presence of Pluronic P123, and characterized by nitrogen sorption, X-ray diffractometry, elemental analysis, and FTIR spectroscopy to get detailed information about their porous structure, ordering and presence of introduced functional groups. The obtained materials were tested as sorbents of model pharmaceutical (diclofenac) to verify a potential application for removal of pharmaceutical: the observed static sorption capacities were ~50mg/g and ~130mg/g, for phenylamino- and gluconamidefunctionalized samples, respectively, while for pristine sample no adsorption was observed.
EN
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.
EN
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.
EN
Walnut and hazelnut shells were used to prepare activated carbons using potassium hydroxide as an activation agent. The obtained activated carbons presented a specific surface areas of 1661 and 1322 m2/g and pore total volumes of 0.80 and 0.65 cm3/g, respectively. Moreover, the obtained activated carbons presented high quantity of micropores in their structure and that is why they have a great potential for environmental applications and they could be an alternative to commercially available activated carbons from the viewpoint of adsorption capacity. This paper proves that walnut and hazelnut shells have got a large potential as precursors to obtaining activated carbons and they could be successfully converted into a well-developed porous materials by chemical activation.
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