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1.
Heidari AH Braun RJ Hirsa AH Snow SA Naire S 《Journal of colloid and interface science》2002,253(2):295-307
The drainage of a thin liquid film with an insoluble monolayer down a vertical wall is studied. Lubrication theory is used to develop a model where the film is pinned at the top with a given thickness and the film drains into a bath at the bottom. A nonlinear equation of state is used for the surface tension and the surface viscosity is a nonlinear function of the surfactant concentration; these are appropriate for some aqueous systems. The three partial differential equations are solved via discretization in space and then the resulting differential algebraic system is solved. Results are described for a wide range of parameters, and the conditions under which the free surface is immobilized are discussed. 相似文献
2.
Faroughi Niya Homayoun Hazeri Nourallah Fatahpour Maryam Maghsoodlou Malek Taher 《Research on Chemical Intermediates》2020,46(7):3651-3666
Research on Chemical Intermediates - A novel magnetically heterogeneous nanocatalyst has been successfully synthesized via the immobilization of piperazine on tris (hydroxymethyl)... 相似文献
3.
Majedi FS Hasani-Sadrabadi MM Emami SH Taghipoor M Dashtimoghadam E Bertsch A Moaddel H Renaud P 《Chemical communications (Cambridge, England)》2012,48(62):7744-7746
A microfluidic platform is developed for the synthesis of monodisperse, 100 nm, chitosan based nanoparticles using nanogelation with ATP. The resulting nanoparticles tuned and enhanced transport and electrochemical properties of Nafion based nanocomposite membranes, which is highly favorable for fuel cell applications. 相似文献
4.
Estimation of relative order tensors, and reconstruction of vectors in space using unassigned RDC data and its application 总被引:1,自引:1,他引:0
Miao X Mukhopadhyay R Valafar H 《Journal of magnetic resonance (San Diego, Calif. : 1997)》2008,194(2):202-211
Advances in NMR instrumentation and pulse sequence design have resulted in easier acquisition of Residual Dipolar Coupling (RDC) data. However, computational and theoretical analysis of this type of data has continued to challenge the international community of investigators because of their complexity and rich information content. Contemporary use of RDC data has required a-priori assignment, which significantly increases the overall cost of structural analysis. This article introduces a novel algorithm that utilizes unassigned RDC data acquired from multiple alignment media (nD-RDC, n 3) for simultaneous extraction of the relative order tensor matrices and reconstruction of the interacting vectors in space.Estimation of the relative order tensors and reconstruction of the interacting vectors can be invaluable in a number of endeavors. An example application has been presented where the reconstructed vectors have been used to quantify the fitness of a template protein structure to the unknown protein structure. This work has other important direct applications such as verification of the novelty of an unknown protein and validation of the accuracy of an available protein structure model in drug design. More importantly, the presented work has the potential to bridge the gap between experimental and computational methods of structure determination. 相似文献
5.
Rapid classification of protein structure models using unassigned backbone RDCs and probability density profile analysis (PDPA) 总被引:1,自引:1,他引:0
Bansal S Miao X Adams MW Prestegard JH Valafar H 《Journal of magnetic resonance (San Diego, Calif. : 1997)》2008,192(1):60-68
A method of identifying the best structural model for a protein of unknown structure from a list of structural candidates using unassigned 15N1H residual dipolar coupling (RDC) data and probability density profile analysis (PDPA) is described. Ten candidate structures have been obtained for the structural genomics target protein PF2048.1 using ROBETTA. 15N1H residual dipolar couplings have been measured from NMR spectra of the protein in two alignment media and these data have been analyzed using PDPA to rank the models in terms of their ability to represent the actual structure. A number of advantages in using this method to characterize a protein structure become apparent. RDCs can easily and rapidly be acquired, and without the need for assignment, the cost and duration of data acquisition is greatly reduced. The approach is quite robust with respect to imprecise and missing data. In the case of PF2048.1, a 79 residue protein, only 58 and 55 of the total RDC data were observed. The method can accelerate structure determination at higher resolution using traditional NMR spectroscopy by providing a starting point for the addition of NOEs and other NMR structural data. 相似文献
6.
Abbas Sharifi Saber Yekani Motlagh Homayoun Badfar 《International Journal of Computational Fluid Dynamics》2013,27(4-5):248-259
ABSTRACTIn this paper, effects of two wires magnetic field on heat transfer and biomagnetic fluid flow in an aneurysm have been investigated using the ferrohydrodynamics model. Using the finite volume method and the SIMPLE algorithm, the governing equations have been discretised. Simulations have been carried out for both conditions of wires in the same and opposite directions and different magnetic numbers of 41 and 82. Results show that the magnetic field causes a decrease in heat transfer of blood flow towards the walls. Moreover, major energy loss or pressure drop, arising from mean wall shear stress, decreases but local or minor energy loss, arising from aneurysm vortexes, increases. Furthermore, risk factors of aneurysm rupture is decreased under the effect of the magnetic field. The effective contact surface between drug-coated magnetic nanoparticles and the aneurysm tissue may increase and residence time of drug on the cells of the region would decrease. 相似文献
7.
Noise in spontaneous respiratory neural activity of the neonatal rat isolated brainstem-spinal cord preparation stimulated with acetylcholine (ACh) exhibits positive correlation. Neural activity from the C4 (phrenic) ventral spinal rootlet, integrated and corrected for slowly changing trend, is interpreted as a fractal record in time by rescaled range, relative dispersional, and power spectral analyses. The Hurst exponent H measured from time series of 64 consecutive signal levels recorded at 2 s intervals during perfusion of the preparation with artificial cerebrospinal fluid containing ACh at concentrations 62.5 to 1000 &mgr;M increases to a maximum of 0.875+/-0.087 (SD) at 250 &mgr;M ACh and decreases with higher ACh concentration. Corrections for bias in measurement of H were made using two different kinds of simulated fractional Gaussian noise. Within limits of experimental procedure and short data series, we conclude that in the presence of added ACh of concentration 250 to 500 &mgr;M, noise which occurs in spontaneous respiratory-related neural activity in the isolated brainstem-spinal cord preparation observed at uniform time intervals exhibits positive correlation. (c) 1995 American Institute of Physics. 相似文献
8.
Aboshyan-Sorgho L Nozary H Aebischer A Bünzli JC Morgantini PY Kittilstved KR Hauser A Eliseeva SV Petoud S Piguet C 《Journal of the American Chemical Society》2012,134(30):12675-12684
This work illustrates a simple approach for optimizing long-lived near-infrared lanthanide-centered luminescence using trivalent chromium chromophores as sensitizers. Reactions of the segmental ligand L2 with stoichiometric amounts of M(CF(3)SO(3))(2) (M = Cr, Zn) and Ln(CF(3)SO(3))(3) (Ln = Nd, Er, Yb) under aerobic conditions quantitatively yield the D(3)-symmetrical trinuclear [MLnM(L2)(3)](CF(3)SO(3))(n) complexes (M = Zn, n = 7; M = Cr, n = 9), in which the central lanthanide activator is sandwiched between the two transition metal cations. Visible or NIR irradiation of the peripheral Cr(III) chromophores in [CrLnCr(L2)(3)](9+) induces rate-limiting intramolecular intermetallic Cr→Ln energy transfer processes (Ln = Nd, Er, Yb), which eventually produces lanthanide-centered near-infrared (NIR) or IR emission with apparent lifetimes within the millisecond range. As compared to the parent dinuclear complexes [CrLn(L1)(3)](6+), the connection of a second strong-field [CrN(6)] sensitizer in [CrLnCr(L2)(3)](9+) significantly enhances the emission intensity without perturbing the kinetic regime. This work opens novel exciting photophysical perspectives via the buildup of non-negligible population densities for the long-lived doubly excited state [Cr*LnCr*(L2)(3)](9+) under reasonable pumping powers. 相似文献
9.
Escande A Guénée L Nozary H Bernardinelli G Gumy F Aebischer A Bünzli JC Donnio B Guillon D Piguet C 《Chemistry (Weinheim an der Bergstrasse, Germany)》2007,13(31):8696-8713
The connection of twelve peripheral and divergent dodecyloxy chains to a central tridentate aromatic binding unit provides the dodecacatenar ligand L11, for which room-temperature mesomorphism is detected. An enthalpically unbalanced large melting entropy (DeltaSmL11=226 J mol(-1) K(-1)) results from the programmed microsegregation induced in the crystalline phase, a phenomenon which is maintained in the associated lanthanide complexes [Ln(L11)(NO3)3] and [Ln(L11)(CF3CO2)3]2. Low-temperature melting processes (-43相似文献
10.
Zaïm A Nozary H Guénée L Besnard C Lemonnier JF Petoud S Piguet C 《Chemistry (Weinheim an der Bergstrasse, Germany)》2012,18(23):7155-7168
Herein, we discuss how, why, and when cascade complexation reactions produce stable, mononuclear, luminescent ternary complexes, by considering the binding of hexafluoroacetylacetonate anions (hfac(-)) and neutral, semi-rigid, tridentate 2,6-bis(benzimidazol-2-yl)pyridine ligands (Lk) to trivalent lanthanide atoms (Ln(III)). The solid-state structures of [Ln(Lk)(hfac)(3)] (Ln=La, Eu, Lu) showed that [Ln(hfac)(3)] behaved as a neutral six-coordinate lanthanide carrier with remarkable properties: 1) the strong cohesion between the trivalent cation and the didentate hfac anions prevented salt dissociation; 2) the electron-withdrawing trifluoromethyl substituents limited charge-neutralization and favored cascade complexation with Lk; 3) nine-coordination was preserved for [Ln(Lk)(hfac)(3)] for the complete lanthanide series, whilst a counterintuitive trend showed that the complexes formed with the smaller lanthanide elements were destabilized. Thermodynamic and NMR spectroscopic studies in solution confirmed that these characteristics were retained for solvated molecules, but the operation of concerted anion/ligand transfers with the larger cations induced subtle structural variations. Combined with the strong red photoluminescence of [Eu(Lk)(hfac)(3)], the ternary system Ln(III)/hfac(-)/Lk is a promising candidate for the planned metal-loading of preformed multi-tridentate polymers. 相似文献