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1.
JOSEF MÁLEK JINDŘICH NEČAS K. R. RAJAGOPAL 《Archive for Rational Mechanics and Analysis》2002,165(3):243-269
To describe the flows of fluids over a wide range of pressures, it is necessary to take into account the fact that the viscosity
of the fluid depends on the pressure. That the viscosity depends on the pressure has been verified by numerous careful experiments.
While the existence of solutions local-in-time to the equations governing the flows of such fluids are available for small,
special data and rather unrealistic dependence of the viscosity on the pressure, no global existence results are in place.
Our interest here is to establish the existence of weak solutions for spatially periodic three-dimensional flows that are
global in time, for a large class of physically meaningful viscosity-pressure relationships.
(Accepted May 1, 2002) Published online November 15, 2002
Communicated by S. S. ANTMAN 相似文献
2.
3.
Wafaa M. Abdou Neven A. Ganoub Amin F. Fahmy Abeer A. Shaddy 《Monatshefte für Chemie / Chemical Monthly》2006,46(10):105-116
Two simple and efficient one-pot procedures for the synthesis of a series of α-branched N-heterocycle-substituted methane-1,1-bisphosphonates
are outlined. In the first method, the parent halosubstrates were reacted with cyanomethylphosphonate followed by reaction
with dialkyl phosphonates to give asymmetrical or symmetrical bisphosphonates (BPs). In the second approach, the same halocompounds were reacted with tetraethyl methyl-1,1-bisphosphonate to give the requisite
BPs. Partial and complete hydrolysis of the prepared BPs were also investigated. The products contain functional groups advantageous for further synthetic modification as structural
units for coupling with the drug. 相似文献
4.
Fatma M. Abdel-Gawad Yousry M. Issa Hussein M. Fahmy Hanan M. Hussein 《Mikrochimica acta》1998,130(1-2):35-40
Three simple, quick and sensitive spectrophotometric methods are described for the determination of ciprofloxacin. The methods are based on the reaction of this drug as ann-electron donor with 2,3-dichloro-5,6-dicyano-p-benzoquinone (DDQ), 7,7,8,8,-tetracyanoquinodimethane (TCNQ) andp-chloranil (CL) as -acceptors to give highly coloured complex species. The coloured products are quantitated spectrophotometrically at 460, 843 and 550 nm for DDQ, TCNQ and CL, respectively. Optimization of the different experimental conditions is described. Beer's law is obeyed in the concentration ranges 5–50, 1.5–15 and 20–200 g ml–1 ciprofloxacin, but the concentration ranges for best accuracy are 10–48, 2.5–15 and 35– 195 g ml–1 of drug for DDQ, TCNQ and CL, respectively. The relative standard deviations are less than 1.5%. Applications of the suggested methods to ciprofloxacin tablets are presented and compared with the USP method. The stability constants of the 11 DDQ and CL complexes were 1.086 × 104 and 2.581 × 104 lmol–1, respectively, whereas for the 12 TCNQ complex it was 3.62 × 1081. mol–1. 相似文献
5.
The polarographic behaviour of phenylhydrazonomesoxalonitrile (2) and ethyl phenylhydrazonomesoxalonitrile (3) as well as pK′ and pKa values are reported for a series of arylhydrazones of α-cyanoketones. 相似文献
6.
Predicting protein-protein and protein-ligand docking remains one of the challenging topics of structural biology. The main problems are (i) to reliably estimate the binding free energies of docked states, (ii) to enumerate possible docking orientations at a high resolution, and (iii) to consider mobility of the docking surfaces and structural rearrangements upon interaction. Here we present a novel algorithm, TreeDock, that addresses the enumeration problem in a rigid-body docking search. By representing molecules as multidimensional binary search trees and by exploring a sufficient number of docking orientations such that two chosen atoms, one from each molecule, are always in contact, TreeDock is able to explore all clash-free orientations at very fine resolution in a reasonable amount of time. Due to the speed of the program, many contact pairs can be examined to search partial or complete surface areas. The deterministic systematic search of TreeDock is in contrast to most other docking programs that use stochastic searches such as Monte Carlo or simulated annealing methods. At this point, we have used the Lennard-Jones potential as the only scoring function and show that this can predict the correct docked conformation for a number of protein-protein and protein-ligand complexes. The program is most powerful if some information is known about the location of binding faces from NMR chemical-shift perturbation studies, orientation information from residual dipolar coupling, or mutational screening. The approach has the potential to include docking-site mobility by performing molecular dynamics or other randomization methods of the docking site and docking families to families of structures. The performance of the algorithm is demonstrated by docking three complexes of immunoglobulin superfamily domains, CD2 to CD58, the V(alpha) domain of a T-cell receptor to its V(beta) domain, and a T-cell receptor to a pMHC complex as well as a small molecule inhibitor to a phosphatase. 相似文献
7.
Karim Fahmy Olaf Weidlich Martin Engelhard Jörg Tittor Dieter Oesterhelt Friedrich Siebert † 《Photochemistry and photobiology》1992,56(6):1073-1083
Abstract— In order to assign the proton acceptor for Schiff base deprotonation in bacteriorhodopsin to a specific Asp residue, the photoreaction of the Asp85 → Glu mutant, as expressed in Halobacterium sp . GRB, was investigated by static low-temperature and time-resolved infrared difference spec-troscopy. Measurements were also performed on the mutant protein labeled with [4-13 C]Asp which allowed discrimination between Asp and Glu residues. 14,15-di13 C-retinal was incorporated to distinguish amide-II absorbance changes from changes of the ethylenic mode of the chromophore. In agreement with earlier UV-VIS measurements, our data show that from both the 540 and 610 nm species present in a pH-dependent equilibrium, intermediates similar to K and L can be formed. The 14 ms time-resolved spectrum of the 540 nm species shows that a glutamic acid becomes protonated in the M-like intermediate, whereas the comparable difference spectrum of the 610 nm species demonstrates that in the initial state a glutamic acid is already protonated. In conjunction with earlier observations of protonation of an Asp residue in wild-type M, the data provide direct evidence that the proton acceptor in the deprotonation reaction of the Schiff base is Asp85. 相似文献
8.
New ONS hydrazone ligand, 2-[(2-aminochromon-3-yl)methylidene]-N-phenylhydrazinecarbothioamide, HL , was synthesized and reacted with different salts of Cu (II) ion (OAc−, NO3−, SO42− and Cl−) in absence and presence of secondary ligands (L′); 8-hydroxyquinoline, 1,10-phenanthroline or SCN−; to form binary and ternary Cu(II)-chelates. The ligand and its Cu(II)-complexes were fully characterized by analytical, spectral, thermal, conductivity and magnetic susceptibility measurements. The metal chelates showed octahedral, square planar and /or distorted tetraherdal arrangements. Coats–Redfern equations used to calculate the kinetic parameters of the thermal decomposition stages (Ea, A, ΔH, ΔS and ΔG). The compounds exhibit luminescence property; promising interesting potential applications as photoactive materials. Lippert–Mataga, Bakhshiev, Kawski–Chamma–Viallet and microscopic solvent polarity parameter and ETN correlation methods were applied on the solvatochromic shifts of emission spectra to evaluate the ground (μg) and excited (μe) states dipole moments. Excited state dipole moment is larger than the ground state which may be attributed to π-π* transition. The coordinating anions play an important role on the position and intensity of emission band. The ligand and its metal complexes showed antimicrobial activity towards Gram–positive bacteria, Gram–negative bacteria, yeast and fungus. The molecular structural parameters of HL and its Cu(II)- complexes have been calculated on the basis of DFT engaged in the Gaussian 09 program at the B3LYP/6-31G(d,p) level; the theoretical data are correlated with the experimental data. 相似文献
9.
Leila S. Boulos Ewies F. Ewies Amin F. M. Fahmy Maysa E. Mohram 《Phosphorus, sulfur, and silicon and the related elements》2013,188(6):790-803
Abstract The reaction of 5(4H)-pyrazolone with phosphorus ylides afforded new triphenylphosphanylidene alkanone derivatives. Moreover, its benzylidene derivative reacted with Wittig–Horner reagents to give the corresponding dialkoxyphosphoryl, alkyl phosphonate, and heterocyclic products. Treatment of pyrazole-4-carbaldehyde with Wittig–Horner reagents and trialkyl phosphites gave the respective alkyl phosphonate adducts. Mechanisms accounting for the formation of the new products are discussed. The biological activity of some of the newly synthesized compounds was also examined. 相似文献
10.
Fahmy M. Asaad Nazih Latif Nawal Mishriky Ibrahim Zeid 《Phosphorus, sulfur, and silicon and the related elements》2013,188(1-2):17-18
Abstract In the present investigation, the authors could obtain a new series of spiranes (1) through the reaction of the high potential quinone tetrachloro-o-benzoquinone with 2-aryl-3-phenyl-3H-quinazoline-4-thiones. Thus, 2,3-diphenyl- (2a), 2-p-tolyl-3-phenyl- (2b) and 2-p-anisyl-3-phenyl- (2c)-3H-quinazoline-4-thiones react readily with tetrachloro-o-benzoquinone, in boiling toluene, to give the corresponding spiro-1,3-benzodioxole-2,4′-(3′H)-quinazolines (1a-c), respectively. 相似文献