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31.
Joanna Biernacka Katarzyna Betlejewska-Kielak Janina Witowska-Jarosz Ewa Kłosińska-Szmurło Aleksander P. Mazurek 《Journal of inclusion phenomena and macrocyclic chemistry》2014,78(1-4):437-443
Complexation of alendronate sodium (AlnNa) with β-cyclodextrin (β-CD) was studied by means of ESI-mass spectrometry. The experimental results show that stable 1:1 inclusion complexes between selected bisphosphonates and β-CD were formed. In addition, complexes with different stoichiometry were observed. DFT/B3LYP calculations were performed to elucidate the different inclusion behavior between alendronate and β-CD. Molecular modeling showed that the inclusion complex of Aln-β-CD where the two phosphonate groups bound to the central carbon atom of bisphosphonate were inserted into the cavity of β-CD from its “top” side was thermodynamically more favorable than when they were inserted from its “bottom” side; the complexation energy was ?74.05 versus ?60.85 kcal/mol. The calculations indicated that the formation of conventional hydrogen bonds was the main factor for non-covalent β-CD:Aln complex formation and stabilization in the gas phase. 相似文献
32.
Stanisaw Kowalski Joanna Oracz Magdalena Skotnicka Anna Mikulec Dorota Gumul Barbara Mickowska Aleksandra Mazurek Renata Sabat Anna Wywrocka-Gurgul Dorota yelewicz 《Molecules (Basel, Switzerland)》2022,27(23)
Six types of nut-based bars with the addition of edible insect flour were obtained. Flours made from three different insects (Tenebrio molitor L., Acheta domesticus L., Alphitobius diaperinus P.) were used at two different additive levels (15% and 30%) in relation to the weight of the nuts. The addition of insect flour significantly increased protein content and the insoluble fraction of dietary fiber. The largest amount of these compounds was found in bars with 30% cricket flour, 15.51 g/100 g and 6.04 g/100 g, respectively, in comparison to standard bars, 10.78 g/100 g and 3.14 g/100 g, respectively. The greatest consumer acceptance was found in relation to bars with buffalo worm flour. The overall acceptance of these bars was 6.26–6.28 points compared to 6.48 for standard bars. Bars and raw materials were characterized by the high biological value of the protein. Cis linoleic acid dominated among unsaturated fatty acids. The percentage of this compound was in the range of 69.56%, for bars with a 30% addition of buffalo worm flour, to 73.88%, for bars with 15% cricket flour. Instrumental analysis of taste and smell compounds showed the presence of compounds such as 3-methylbutanoic acid, hexanal, and 2,3-pentanedione. 相似文献
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34.
H. Mazurek R.S. Mehta M.S. Dresselhaus G. Dresselhaus H.J. Zeiger 《Surface science》1982,118(3):530-534
The transient in the rate of Ni(CO)4 formation has been studied as a function of the gas used in the initial heat treatment of the nickel samples. Quantitatively similar transient effects were seen whether the samples were heated in reducing (H2, D2) or neutral (He) atmospheres. A mechanism is proposed in which the heat treatment activates the surface; in particular a finite number of low coordination nickel sites are activated. These sites are energetically favored for Ni(CO)4 formation and are responsible for the transient behavior. 相似文献
35.
H. Bem M. Długosz-Lisiecka S. Janiak D. Mazurek P. Szajerski 《Journal of Radioanalytical and Nuclear Chemistry》2017,312(2):337-342
The indoor 222Rn radionuclide was directly absorbed in typical 20 ml glass scintillation vials by passing ?3 dm3 of ambient air through 16 ml of water-immiscible non-volataile scintillation cocktail Ultima-Gold F for 10 min. The activity of radon and its two α-emitting daughters: 218Po and 214Po, was determined with the BetaScout low-background liquid scintillation counter. The limit of 222Rn detection is 9 Bq/m3, and the quantification limit with 20% relative accuracy is 28 Bq/m3. The results of the indoor Rn measurement in different houses showed good consistency with results obtained from a Sarad EQF 3220 device. 相似文献
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37.
Aldona Majcher Anna Lewandrowska Franciszek Herold Jacek Stefanowicz Tomasz Słowiński Aleksander P. Mazurek Stefan A. Wieczorek Robert Hołyst 《Analytica chimica acta》2015
We determine the association constants for ligand–protein complex formation using the flow injection method. We carry out the measurements at high flow rates (F = 1 mL min−1) of a carrier phase. Therefore, determination of the association constant takes only a few minutes. Injection of 1 nM of the ligand (10 μL of 1 μM concentration of the ligand solution) is sufficient for a single measurement. This method is tested and verified for a number of complexes of selected drugs (cefaclor, etodolac, sulindac) with albumin (BSA). We obtain K = 4.45 × 103 M−1 for cefaclor, K = 1.00 × 105 M−1 for etodolac and K = 1.03 × 105 M−1 for sulindac in agreement with the literature data. We also determine the association constants of 20 newly synthesized 3β- and 3α-aminotropane derivatives with potential antipsychotic activity – ligands of 5-HT1A, 5-HT2A and D2 receptors with the albumin. Results of the studies reported here indicate that potential antipsychotic drugs bind weakly to the transporter protein (BSA) with K ≈ 102–103 M−1. Our method allows measuring K in a wide range of values (102–109 M−1). This range depends only on the solubility of the ligand and sensitivity of the detector. 相似文献
38.
Aleksander P. Mazurek Nina Sadlej‐Sosnowska 《International journal of quantum chemistry》2011,111(10):2398-2405
The endohedral complex of fullerene with benzene was studied with computational chemistry methods. The changes of structural parameters, such as bond lengths of host and guest and volume increments accompanying complex formation, were investigated, as well as the transfer of electron density between host and guest. The results obtained with three DFT functionals, which were recently designed for weak interactions, were compared. A three‐centered hydrogen bond between H atom of benzene and two atoms of fullerene was found. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2011 相似文献
39.
In this article we study the problem when a left distributive algebra over a field determines an atom of the lattice of all radicals of rings. We show that this problem is strictly connected with the problem of describing extensions of left chain algebras and give a characterization of left chain algebras determining atoms. 相似文献
40.
Pawe ero Franciszek Pluciski Alexander P. Mazurek 《Journal of Molecular Structure》2009,915(1-3):182-187
The cyclic compounds are common in nature and widely spread in medicinal chemistry. The cyclopeptides have a special position for their having numerous advantages over their linear, parent peptides. Here, cyclic glycine derived peptides and their linear equivalents were computationally modelled and the molecular properties of both these groups of the compounds were compared. The phosphor analogues of these peptides were also modelled and the same properties were considered. The studies were done by the ab initio methods. The stability and strength of peptide bonds were calculated and the susceptibility of studied compounds to spontaneous oxidation was estimated. 相似文献