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21.
[reaction: see text] A systematic investigation on a broad set of aldehydes reveals that the lifetimes of (Z)-photoenols can be modulated by variation of the substituents. We have found that the lifetimes of (Z)-enols (in benzene) can be varied by more than 1 order of magnitude with a judicious choice of the substituents that exert mesomeric and inductive effects as, for example, in the case of pentamethylbenzaldehyde (tau = 35 ns) and dicyanomesitaldehyde (tau = 760 ns). This study thus points to the fact that the electronic factors in conjunction with hydrogen bonding stabilization can considerably broaden the uni- as well as bimolecular chemistry based on photoenolization. Further, we have shown that the photoenols exhibit dramatic shifts in their absorption properties with variation of the substituents; although the photoenols have long been considered to be colored, their absorption properties have not been heretofore comprehensively examined. 相似文献
22.
A variety of olefins have been shown to undergo conversion to the corresponding α-bromo/iodoketones when reacted with NBS/NIS and IBX in DMSO at room temperature. While the reaction is found to occur rapidly with e-rich arylolefins leading to the corresponding haloketones in 65-95% yields in 0.3-3.0 h, those containing e-withdrawing groups are found to yield diketones concomitantly, such that the latter are the exclusive products over extended duration of the reactions. 相似文献
23.
In this paper, we propose an implicit higher-order compact (HOC) finite difference scheme for solving the two-dimensional (2D) unsteady Navier–Stokes (N–S) equations on nonuniform space grids. This temporally second-order accurate scheme which requires no transformation from the physical to the computational plane is at least third-order accurate in space, which has been demonstrated with numerical experiments. It efficiently captures both transient and steady-state solutions of the N–S equations with Dirichlet as well as Neumann boundary conditions. The proposed scheme is likely to be very useful for the computation of transient viscous flows involving free and wall bounded shear layers which invariably contain spatial scale variation. Numerical results are presented and compared with analytical as well as established numerical data. Excellent comparison is obtained in all the cases. 相似文献
24.
Vanangamudi Murugesan Nidhi Sethi Yenamandra S. Prabhakar Seturam B. Katti 《Molecular diversity》2011,15(2):457-466
The inhibition of dipeptidyl peptidase IV (DPP-IV) has emerged as an attractive target in the treatment of type 2 diabetes.
In view of this development, a critical analysis of structural requirements of the DPP-IV inhibitors is envisioned to identify
the significant features toward design of selective inhibitors. The comparative molecular field analysis (CoMFA) and comparative
molecular similarity indices analysis (CoMSIA) contour plots of pyrrolidine based analogues are used to analyze the structural
requirements of a DPP-IV active site. The CoMFA model has shown a cross-validated q
2 of 0.651 with a non-cross-validated r
2 of 0.882 and explained 70.6% variance in the activity of external test compounds. In this, the steric and electrostatic fields
have respectively contributed 59.8 and 40.2%, respectively, to the explained activity of the compounds. The CoMSIA model has
shown optimum predictivity (cross-validated q
2 = 0.661; non-cross-validated r
2 = 0.803; external test set’s predictive r
2 = 0.706) with four molecular fields namely, steric, electrostatic, hydrogen bond (HB)-donor, and HB-acceptor. The contour
plots of molecular fields resulting from these studies have suggested: (i) steric restriction with small electron rich substituent
at 2- and 3-position of pyrrolidine ring, (ii) presence of electropositive ring linker between the pyrrolidine head and aryl
tail, (iii) presence of electron-rich groups around the aryl tail moiety, and (iv) presence of sulfonamide between the ring
linker and aryl tail which would increase DPP-IV binding affinity of the compounds. These findings will help in the design
of structurally related/new compounds as potential DPP-IV inhibitors. 相似文献
25.
Nidhi Andhariya Bhupendra Chudasama R. V. Mehta R. V. Upadhyay 《Journal of nanoparticle research》2011,13(9):3619-3631
Core–shell nanostructures have emerged as an important class of functional materials with potential applications in diverse
fields, especially in health sciences. In this article, nanoengineering of novel magnetic colloidal dispersion containing
surface modifiable silica with a core of single domain magnetite nanoparticles loaded with photosensitizer (PS) drug “Methylene
blue” (MB) has been described. Magnetite core is produced by the well-established chemical coprecipitation technique and silica
shell is formed over it by the modified hydrolysis and condensation of TEOS (tetraethyl orthosilicate). Conditions for reaction
kinetics have been established to tailor the core–shell structures in the form of nanospheres and nanocapsules. MB is loaded
into the nanostructures by demethylation reaction. The major conclusion drawn from this study is that the synthesis route
yields stable, non-aggregated MB loaded superparamagnetic magnetite-silica nanostructures with tailored morphology, tunable
loading, and excellent magnetic properties. 相似文献
26.
AbstractThis article presents the theoretical and experimental investigation of the response of long-period gratings as a refractive index sensor. Cladding modes are calculated, and results are compared with Optigrating 4.2.2 (Optiwave Systems Inc., Ottawa, Canada). The response has been checked for refractive indices ranging from 1 to 1.458. Theoretically simulated results are in accordance with the experimental results. It was found that the software package calculated values correctly up to the seventh decimal point. The ambient refractive index response of a long-period grating over a much wider index range has been modeled for values both less and more than the cladding refractive index. 相似文献
27.
28.
Sanjeev A. Sahu Pradeep K. Saroj Nidhi Dewangan 《Archive of Applied Mechanics (Ingenieur Archiv)》2014,84(2):235-245
The effect of gravity, heterogeneity and internal friction on propagation of SH-waves (horizontally polarised shear waves) in viscoelastic layer over a half-space has been studied. Using the method of separation of variables, dispersion equation has been obtained and used to recover the damped velocity of SH-waves. Both the real and imaginary parts of dispersion equation are in well agreement with the classical Love wave equation. It has been observed that heterogeneity of the medium affects the velocity profile of SH-wave significantly. Some other peculiarities have been observed and discussed in our study. 相似文献
29.
Nidhi Joshi Anindita Mukhopadhyay Sujit Basak Goutam De Krishnananda Chattopadhyay 《Particle & Particle Systems Characterization》2013,30(8):683-694
The presence of magnetic nanoparticles (NPs) in physiological systems induces toxicity through its effects on mitochondrial function and reactive oxygen species (ROS) imbalance. Magnetic NP induced cytotoxicity has been elaborately evaluated for impending threats, however, a detailed investigation is lacking. It is shown that the interaction of Fe3O4 NPs with cytochrome c can lead to different events based on the NPs to protein ratio, the solution conditions, and the type of surface protection. At low NPs concentration, rapid binding and subsequent electron transfer are the preferred events while at higher concentration slow oxidative modification of the protein is initiated. The slow event of protein modification yields conformational disorientation, loss of stability, and formation of amyloid‐like structures with cytochrome c. The possibility that the NP induced oxidative stress and age can work in concert to compromise different aspects of cellular quality control processes is discussed. Suitable surface modifications of the NPs inhibit their direct binding to the protein molecules and minimize NP induced toxicity. 相似文献
30.
Improvement on Quantum Teleportation of Three and Four Qubit States Using Multi-Qubit Cluster States
Verma Vikram Singh Nidhi Singh Ravi S. 《International Journal of Theoretical Physics》2021,60(10):3973-3981
International Journal of Theoretical Physics - In 2016, Li et al. [Int. J. Theor. Phys. 55, 1820–1823 (2016)] proposed schemes for quantum teleportation of certain class of three and four... 相似文献