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61.
Alexander Zawaira Marco Gallotta Natasha Beeton-Kempen Lauren Coulson Patrick Marais Michelle Kuttel Jonathan Blackburn 《Computational Biology and Chemistry》2010,34(1):42-52
In this work, a model for the interaction between CYP2B4 and the FMN domain of rat P450-oxidoreductase is built using as template the structure of a bacterial redox complex. Amino acid residues identified in the literature as cytochrome P450 (CYP)–redox partner interfacial residues map to the interface in our model. Our model supports the view that the bacterial template represents a specific electron transfer complex and moreover provides a structural framework for explaining previous experimental data.We have used our model in an exhaustive search for complementary pairs of mammalian CYP and P450-oxidoreductase (POR) charge clusters. We quantitatively show that among the previously defined basic clusters, the 433K–434R cluster is the most dominant (32.3% of interactions) and among the acidic clusters, the 207D–208D–209D cluster is the most dominant (29%). Our analysis also reveals the previously not described basic cluster 343R–345K (16.1% of interactions) and 373K (3.2%) and the acidic clusters 113D–115E–116E (25.8%), 92E–93E (12.9%), 101D (3.2%) and 179E (3.2%).Cluster pairings among the previously defined charge clusters include the pairing of cluster 421K–422R to cluster 207D–208D–209D. Moreover, 433K–434R and 207D–208D–209D, respectively the dominant positively and negatively charged clusters, are uncorrelated. Instead our analysis suggests that the newly identified cluster 113D–115E–116E is the main partner of the 433K–434R cluster while the newly described cluster 343R–345K is correlated to the cluster 207D–208D–209D. 相似文献
62.
Pavel K. Mykhailiuk Nataliia M. Voievoda Sergii Afonin Igor V. Komarov 《Journal of fluorine chemistry》2010,131(2):217-1302
An optimized procedure for the multigram synthesis of 3-(trifluoromethyl)bicyclo[1.1.1]pent-1-ylglycine (CF3-Bpg) has been developed. The overall yield of the synthesis for the optimized up-scaling was increased from 35% to 53%. Moreover, conditions for separating the key isomeric aminonitriles 7 and 8 by crystallization were found, which greatly facilitated the isolation of 8 on a multigram scale. Following this optimized protocol, 100 g of optically pure CF3-Bpg have been synthesized. 相似文献
63.
The model of a proton-conducting membrane based on sulfonated aromatic poly(ether ether ketone) has been constructed in the
context of the mesoscale-dynamics method. The structure of the polymer is represented as a linear adjusted sequence of polar
and nonpolar chain units. The degree of sulfonation and water content in the system are the main parameters during calculations.
The constructed model shows that microphase separation of hydrophilic and hydrophobic polymer chain units occurs even at small
water contents. A spatial network of water domains that has walls made of polymer-matrix polar chain units is formed within
the membrane volume. The estimation of the percolation threshold demonstrates that water domains form a penetrating system
of channels at water contents as low as 5–9%. Analogous simulations have been performed for the well-studied Nafion-1100 membrane.
Although the morphologies of hydrophilic channels in sulfonated aromatic poly(ether ether ketone) and Nafion differ substantially,
their cross sections are close. The results make it possible to consider sulfonated aromatic poly (ether ether ketone) a possible
alternative to Nafion during the development of proton-conducting membranes for new-generation fuel cells. 相似文献
64.
A. V. Pashchenko V. P. Pashchenko A. G. Sil’cheva V. K. Prokopenko A. A. Shemyakov Yu. F. Revenko V. P. Komarov S. V. Gorban’ 《Physics of the Solid State》2011,53(2):309-315
The structure and properties of lanthanum strontium manganite perovskites La0.6Sr0.2Mn1.2 − y
Cr
y
O3 ± δ (y = 0–0.3) sintered at 1430°C have been studied by X-ray, resistive, and magnetic (χac and 55Mn NMR) methods. The parameter of the rhombohedrally distorted (R
$
\bar 3
$
\bar 3
c) perovskite structure decreases with increasing y. The real perovskite structure contains point (anion and cation vacancies) and cluster-type nanostructure defects. The analysis
of asymmetrically broadened 55Mn NMR spectra has confirmed the high-frequency electron-hole exchange Mn3+ ↔ Mn4+ and local inhomogeneity of their surrounding by other ions and point and cluster-type defects. An increase in the Cr content
leads to an increase in the resistivity and the magnetoresistive effect and a decrease in the metal-semiconductor and ferromagnetic-paramagnetic
phase transition temperatures (T
ms
and T
c
) due to the distortion of the exchange interactions Mn3+ ↔ Mn4+ by chromium ions, vacancies, and clusters. Introduction of Cr decreases the ferromagnetic component and increases the activation
energy. The magnetoresistive effect near T
ms
and T
c
is caused by scattering of charge carriers from intercrystallite nanostructure inhomogeneities of the lattice, and the low-temperature
effect is associated with the tunneling on mesostructural intercrystallite boundaries. 相似文献
65.
P. M. Pakhomov M. M. Ovchinnikov S. D. Khizhnyak O. A. Roshchina P. V. Komarov 《Polymer Science Series A》2011,53(9):820-826
A novel supramolecular thixotropic gel based on low-concentration aqueous solutions of L-cysteine and silver nitrate is synthesized. Self-organization and gel formation in the system of interest is studied by means
of UV and IR spectroscopy, transmission electron microscopy, dynamic light scattering, and rotational viscometry. A model
of the supramolecular gel is suggested. Possible applications for medicinal purposes are considered. 相似文献
66.
High-Temperatures Institute, USSR Academy of Sciences. Translated from Zhurnal Strukturnoi Khimii, Vol. 31, No. 1, pp. 49–55, January–February, 1990. 相似文献
67.
Two quartz crystal microbalances have been mounted in a planar rf discharge system in such a way that the potential of the microbalances with respect to the glow discharge can be varied. This apparatus allows a rapid simulation of the etching directionality that can be expected in real pattern transfer situations in that operating one microbalance at ground and one at a negative potential gives a measure of the sidewall and vertical etch rates, respectively. The voltage threshold for ion-assisted etching has been determined to be 20 V which is the approximate value of the plasma potential in this asymmetric system. 相似文献
68.
69.
The possibility of obtaining x-ray microbeams with a prescribed intensity using a system containing a x-ray tube with a transmission
thin-film anode and a tapered glass microcapillary is investigated.
Zh. Tekh. Fiz. 68, 90–93 (May 1998) 相似文献
70.