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91.
A Quantitative Model for Alkane Nucleophilicity Based on C−H Bond Structural/Topological Descriptors
92.
Erix W. Hernández-Rodríguez Andrés M. Escorcia Marc W. van der Kamp Ana L. Montero-Alejo Julio Caballero 《Journal of computational chemistry》2020,41(26):2278-2295
Evaluating the availability of molecular oxygen (O2) and energy of excited states in the retinal binding site of rhodopsin is a crucial challenging first step to understand photosensitizing reactions in wild-type (WT) and mutant rhodopsins by absorbing visible light. In the present work, energies of the ground and excited states related to 11-cis-retinal and the O2 accessibility to the β-ionone ring are evaluated inside WT and human M207R mutant rhodopsins. Putative O2 pathways within rhodopsins are identified by using molecular dynamics simulations, Voronoi-diagram analysis, and implicit ligand sampling while retinal energetic properties are investigated through density functional theory, and quantum mechanical/molecular mechanical methods. Here, the predictions reveal that an amino acid substitution can lead to enough energy and O2 accessibility in the core hosting retinal of mutant rhodopsins to favor the photosensitized singlet oxygen generation, which can be useful in understanding retinal degeneration mechanisms and in designing blue-lighting-absorbing proteic photosensitizers. 相似文献
93.
Guimaraes Giulia A. A. Lacerda Janiny N. Xing Yutao Ponzio Eduardo A. Pacheco Wagner F. Semaan Felipe S. Dornellas Rafael M. 《Journal of Solid State Electrochemistry》2020,24(8):1769-1779
Journal of Solid State Electrochemistry - This work presents the development and characterization of an electrochemical sensor of tin hexacyanoferrate (SnHCF), produced from the modification by... 相似文献
94.
95.
Background
Marlin-1 is a microtubule binding protein that associates specifically with the GABAB1 subunit in neurons and with members of the Janus kinase family in lymphoid cells. In addition, it binds the molecular motor kinesin-I and nucleic acids, preferentially single stranded RNA. Marlin-1 is expressed mainly in the central nervous system but little is known regarding its cellular and subcellular distribution in the brain. 相似文献96.
Ilda Abe Rafael E. de Ges Jos L. Fabris Hypolito J. Kalinowski Mrcia Müller Meire C. Fugihara Rosane Falate Barbara W. Diesel Ricardo C. Kamikawachi Carmen L. Barbosa 《Optics and Lasers in Engineering》2003,39(5-6):537-548
In this work, we report production and modelling of both Bragg gratings and rocking filters in high birefringence fibre optics. Bragg gratings are produced by UV (257.0 nm) external interferometric exposition of a frequency-doubled Ar+ ion laser, whereas for rocking filters formation the visible Ar+ ion laser lines in 488.0 and 514.5 nm are used in an internal method. The spectral characteristics due to the birefringence properties are studied through numerical methods and experimental techniques. The spectral responsivity of the structures under temperature changes and stress application is presented. 相似文献
97.
Rafael O. Ruggiero 《Bulletin of the Brazilian Mathematical Society》1994,25(2):139-172
LetM be a compact Riemannian manifold with no conjugate points such that its geodesic flow is expansive. Then we show that the universal Riemannian covering ofM is a hyperbolic geodesic space according to the definition of M. Gromov. This allows us to extend a series of relevant geometric and topological properties of negatively curved manifolds toM and in particular, geometric group theory applies to the fundamental group ofM. 相似文献
98.
We introduce noncommutative JB*-algebras which generalize both B*-algebras and JB*-algebras and set up the bases for a representation theory of noncommutative JB*-algebras. To this end we define noncommutative JB*-factors and study the factor representations of a noncommutative JB*-algebra. The particular case of alternative B*-factors is discussed in detail and a Gelfand-Naimark theorem for alternative B*-algebras is given. 相似文献
99.
Efficient Solution Concepts and Their Relations in Stochastic Multiobjective Programming 总被引:1,自引:0,他引:1
Caballero R. Cerdá E. Muñoz M. M. Rey L. Stancu-Minasian I. M. 《Journal of Optimization Theory and Applications》2001,110(1):53-74
In this work, different concepts of efficient solutions to problems of stochastic multiple-objective programming are analyzed. We center our interest on problems in which some of the objective functions depend on random parameters. The existence of different concepts of efficiency for one single stochastic problem, such as expected-value efficiency, minimum-risk efficiency, etc., raises the question of their quality. Starting from this idea, we establish some relationships between the different concepts. Our study enables us to determine what type of efficient solutions are obtained by each of these concepts. 相似文献
100.
Rafael O. Ruggiero Vladimir A. Rosas Meneses 《Bulletin of the Brazilian Mathematical Society》2003,34(2):263-274
In this paper, we show that the Pesin set of an expansive
geodesic flow in compact manifold with no conjugate points and
bounded asymptote coincides a.e with an open and dense set of
the unit tangent bundle. We also show that the set of hyperbolic
periodic orbits is dense in the unit tangent bundle. 相似文献