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31.
Justyna Mrozek Agnieszka Lewandowska Katarzyna Guzow Joanna Malicka Bogdan Banecki Wiesław Wiczk 《Journal of inclusion phenomena and macrocyclic chemistry》2009,65(3-4):361-375
Natural enkephalins and their analogues are very important as potential therapeutic agents (analgetics). Herein we describe the influence of Dab and Pro chirality of cyclic [Leu]enkephalins (X1-c[Dab2-Pro3-βNal(2)4-Leu5], where X = Tyr or Phe) on the binding constant with β-cyclodextrin and spatial and mutual orientation of guest and host molecules. The formation of complexes is enthalpy driven for all cyclic [Leu]enkephalins studied as well as for Nal and AcNalNH2. Moreover, change of Dab residue configuration has a greater influence on changes of the binding constant of cyclic enkephalin with β-CD than change of Pro chirality has. Also, the replacement of Tyr1 residue by Phe1 substantially changes the peptide chain conformation. An analysis of 2D NMR spectra reveals that, apart from inclusion complex formed by penetration of cyclodextrin cavity from wider and narrow rims by Nal, Tyr or Phe or Leu residue, a side and/or bottom association complexes are formed. 相似文献
32.
Sadowski Przemysław Pawela Łukasz Lewandowska Paulina Kukulski Ryszard 《International Journal of Theoretical Physics》2019,58(10):3382-3393
In this work we introduce the concept of a quantum walk on a hypergraph. We show that the staggered quantum walk model is a special case of a quantum walk on a hypergraph.
相似文献33.
Striking Differences in Properties of Geometric Isomers of [Ir(tpy)(ppy)H]+: Experimental and Computational Studies of their Hydricities,Interaction with CO2, and Photochemistry 下载免费PDF全文
Dr. Komal Garg Dr. Yasuo Matsubara Dr. Mehmed Z. Ertem Dr. Anna Lewandowska‐Andralojc Dr. Shunsuke Sato Dr. David J. Szalda Dr. James T. Muckerman Dr. Etsuko Fujita 《Angewandte Chemie (International ed. in English)》2015,54(47):14128-14132
We prepared two geometric isomers of [Ir(tpy)(ppy)H]+, previously proposed as a key intermediate in the photochemical reduction of CO2 to CO, and characterized their notably different ground‐ and excited‐state interactions with CO2 and their hydricities using experimental and computational methods. Only one isomer, C‐trans‐[Ir(tpy)(ppy)H]+, reacts with CO2 to generate the formato complex in the ground state, consistent with its calculated hydricity. Under photocatalytic conditions in CH3CN/TEOA, a common reactive C‐trans‐[Ir(tpy)(ppy)]0 species, irrespective of the starting isomer or monodentate ligand (such as hydride or Cl), reacts with CO2 and produces CO with the same catalytic efficiency. 相似文献
34.
The miscibility and the thermal behaviour of chitosan acetate (ChA) with poly(vinyl alcohol) (PVA) have been investigated by differential scanning calorimetry (DSC), thermogravimetric analysis (TGA) and dynamic mechanical analysis (DMA). Chitosan is blended with poly(vinyl alcohol) in acetic acid solution and this solution is cast to prepare the blend film. From thermal curves the thermal transitions: Tg, Tm and characteristic temperatures of decomposition: Tdi, Tmax have been determined and compared. The influence of the degree of PVA hydrolysis on the thermal properties of blend systems has been discussed.Based upon the observation on the DSC analysis, the melting point of PVA is decreased when the amount of ChA in the blend film is increased. Though some broadening of the transition curves could be noticed (DSC, TGA and DMA), the obtained results suggest that in the solid ChA/PVA blends the components are poorly miscible. Only PVA sample with relatively low DH = 88% and hence low degree of crystallinity shows partial miscibility with ChA of relatively low molecular weight. 相似文献
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Collagen films are widely used as adhesives in medicine and cosmetology. However, its properties require modification. In this work, the influence of salicin on the properties of collagen solution and films was studied. Collagen was extracted from silver carp skin. The rheological properties of collagen solutions with and without salicin were characterized by steady shear tests. Thin collagen films were prepared by solvent evaporation. The structure of films was researched using infrared spectroscopy. The surface properties of films were investigated using Atomic Force Microscopy (AFM). Mechanical properties were measured as well. It was found that the addition of salicin modified the roughness of collagen films and their mechanical and rheological properties. The above-mentioned parameters are very important in potential applications of collagen films containing salicin. 相似文献
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Homogenization Modeling and Parametric Study of Moisture Transfer in an Unsaturated Heterogeneous Porous Medium 总被引:1,自引:0,他引:1
The classical mass balance equation is usually used to model the transfer of humidity in unsaturated macroscopically homogeneous porous media. This equation is highly non-linear due to the pressure-dependence of the hydrodynamic characteristics. The formal homogenization method by asymptotic expansions is applied to derive the upscaled form of this equation in case of large-scale heterogeneities of periodic structure. The nature of such heterogeneities may be different, resulting in locally variable hydrodynamic parameters. The effective capillary capacity and the effective hydraulic conductivity are defined as functions of geometry and local characteristics of the porous medium. A study of a two-dimensional stone-mortar system is performed. The effect of the second medium (the mortar), on the global behavior of the system is investigated. Numerical results for the Brooks and Corey hydrodynamic model are provided. The sensitivity analysis of the parameters of the model in relation to the effective hydrodynamic parameters of the porous structure is presented. 相似文献
40.
Gerald Hörner Dr. Gordon L. Hug Dr. Anna Lewandowska Franciszek Kazmierczak Dr. Bronislaw Marciniak Prof. 《Chemistry (Weinheim an der Bergstrasse, Germany)》2009,15(13):3061-3064
To be or not to be solvated is the decisive parameter that controls the photoinduced hydrogen‐atom transfer in diastereomeric ketone/phenol dyads. A kinetic solvent effect that refers to hydrogen bonding between the phenol and the solvent is suggested to be the main source of the stereoselective discrimination in the hydrogen transfer (see figure).