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31.
A molecular dynamics simulation of the β2-adrenergic receptor (β2AR) embedded in a hydrated lipid bilayer showed that the state with a broken ionic lock (salt bridge) between the arginine residue Arg131 and the glutamic acid residue Glu268 is stabilized in the presence of cholesterol molecules. This should be considered as a transient state to the active state of the receptor. 相似文献
32.
Alicja Boryło Bogdan Skwarzec Grzegorz Romańczyk Janusz Siebert 《Journal of Radioanalytical and Nuclear Chemistry》2013,298(3):1685-1691
The determination of polonium 210Po in human blood samples is presented and discussed in this paper. The human blood samples were collected from patients of Medical University of Gdańsk with ischaemic heart disease (morbus ischaemicus cordis, MIC). The polonium concentrations in analyzed human blood samples are very differentiated. 210Po is of particular interest in public health and although is present in the environment in extremely low amounts, it is easily bioaccumulated to the human body. The study shows that the amount of 210Po that is incorporated into the human body depends on the food habits and some difference in its levels could be observed between smokers and non-smokers. 相似文献
33.
The contribution refers to the temperature dependence of IR-absorption spectra (NH4)2AF6 (A - Si and Ge). It is found that with temperature decreasing, the integrated intensities of the bands corresponding to anion fundamentals, increase, while those of cation, decrease. An explanation is given to the phenomena detected, which is based on variations in the strength of the outer-sphere interaction with the temperature, and subsequent redistribution of electron density. 相似文献
34.
35.
A nonstandard probabilistic setting for modeling of the risk of catastrophic events is presented. It allows random variables to take on infinitely large negative values with non-zero probability, which correspond to catastrophic consequences unmeasurable in monetary terms, e.g. loss of human lives. Thanks to this extension, the safety-first principle is proved to be consistent with traditional axioms on a preference relation, such as monotonicity, continuity, and risk aversion. Also, a robust preference relation is introduced, and an example of a monotone robust preference relation, sensitive to catastrophic events in the sense of Chichilnisky (2002), is provided. The suggested setting is demonstrated in evaluating nuclear power plant projects when the probability of a catastrophe is itself a random variable. 相似文献
36.
A. Pirnau C. G. Floare M. Bogdan 《Journal of inclusion phenomena and macrocyclic chemistry》2014,78(1-4):113-120
The complexation process between racemic flurbiprofen and β-cyclodextrin in solution was investigated by 1D and 2D proton NMR spectroscopy. In the presence of β-cyclodextrin, the aromatic protons of flurbiprofen were the most affected, suggesting a strong involvement of the phenyl groups in the inclusion mechanism. The stoichiometry of the complex was determined by the method of continuous variation, using the chemical induced shifts of both host and guest protons. The association constant, Ka of the obtained complex was calculated and found to be 2483.8 M?1. On the other hand, signals belonging to the protons associated with the carboxyl group are split in the presence of β-cyclodextrin indicating enantiomeric differentiation. Rotating frame NOE spectroscopy, (ROESY), was used to ascertain the solution geometry of the host–guest complex. The result suggested that the flurbiprofen molecule fully penetrates the β-cyclodextrin cavity with the carboxyl group protruding from the primary hydroxyl side and the phenyl group close to the secondary rim. 相似文献
37.
Dr. Konstantin I. Galkin Bogdan Ya. Karlinskii Dr. Alexander Yu. Kostyukovich Dr. Evgeniy G. Gordeev Prof. Dr. Valentine P. Ananikov 《Chemistry (Weinheim an der Bergstrasse, Germany)》2020,26(39):8567-8571
This work reveals ambident nucleophilic reactivity of imidazolium cations towards carbonyl compounds at the C2 or C4 carbene centers depending on the steric properties of the substrates and reaction conditions. Such an adaptive behavior indicates the dynamic nature of organocatalysis proceeding via a covalent interaction of imidazolium carbenes with carbonyl substrates and can be explained by generation of the H-bonded ditopic carbanionic carbenes. 相似文献
38.
Tolkachev N. N. Koklin A. E. Laptinskaya T. V. Lunin V. V. Bogdan V. I. 《Russian Chemical Bulletin》2019,68(8):1613-1620
Russian Chemical Bulletin - Dynamic light scattering and size exclusion chromatography were used to investigate the size of sodium lignosulfonate particles in water—ethanol media and the... 相似文献
39.
Highly Efficient Copper(II) Ion Sorbents Obtained by Calcium Carbonate Mineralization on Functionalized Cross‐Linked Copolymers
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Dr. Marcela Mihai Dr. Ion Bunia Florica Doroftei Dr. Cristian‐Dragos Varganici Prof. Bogdan C. Simionescu 《Chemistry (Weinheim an der Bergstrasse, Germany)》2015,21(13):5220-5230
A new type of CuII ion sorbents is presented. These are obtained by CaCO3 mineralization from supersaturated solutions on gel‐like cross‐linked polymeric beads as insoluble templates. A divinylbenzene–ethylacrylate–acrylonitrile cross‐linked copolymer functionalized with weakly acidic, basic, or amphoteric functional groups has been used, as well as different initial inorganic concentrations and addition procedures for CaCO3 crystal growth. The morphology of the new composites was investigated by SEM and compared to that of the unmodified beads, and the polymorph content was established by X‐ray diffraction. The beads, before and after CaCO3 mineralization, were tested as sorbents for CuII ions. The newly formed patterns on the bead surface after CuII sorption were observed by SEM, and the elemental distribution on the composites and the chemical structure of crystals after interaction with CuII were investigated by EDAX elemental mapping and by FTIR‐ATR spectroscopy, respectively. The sorption capacity increased significantly after CaCO3 crystals growth on the weak anionic bead surface (up to 1041.5 mg CuII/g sample) compared to that of unmodified beads (491.5 mg CuII/g sample). 相似文献
40.
Rational design of methacrylate monomers containing oxadiazole moieties for single‐layer organic light emitting devices
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Bogdan Zdyrko Yuriy Bandera Volodymyr Tsyalkovsky Christopher F. Huebner Jamie A. Shetzline Parul Rungta Ryan D. Roeder Charles Tonkin Stephen E. Creager Stephen H. Foulger 《Journal of Polymer Science.Polymer Physics》2015,53(23):1663-1673
Methacrylate derived monomers functionalized with pendant oxadiazole moieties were synthesized and copolymerized with carbazole containing monomers to form polymers with electron and hole transporting fragments in the same molecule. Substituents on the oxidazole moiety were varied with the purpose of bandgap tuning and performance optimization when employed in single‐layer organic light emitting devices (OLED). Quantum mechanical calculations of the HOMO‐LUMO levels of the oxidazole derivatives were used to down‐select promising candidates for chemical synthesis and testing in single‐layer OLEDs. © 2015 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2015 , 53, 1663–1673 相似文献