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1.
The angular variations of the five-fold differential cross section obtained by using different wave functions of helium are
compared with experimental data. It is found that in the coplanar geometry two kinematical arrangements, (i) equal energy
sharing between the two ejected electrons with one of them ejected along the momentum transfer direction and the other along
varying direction and (ii) the Bethe ridge condition with fixed sum of ejected electron energies and varying angle between
them, are very sensitive to e-e correlations contained in the target wave function. This comparison has been used to show
that open-shell class of wave functions better incorporate e-e correlations than the closed-shell class. 相似文献
2.
Kand D Kalle AM Varma SJ Talukdar P 《Chemical communications (Cambridge, England)》2012,48(21):2722-2724
A new chromenoquinoline-based fluorescent off-on thiol probe 2 is reported. In aqueous buffer solutions at physiological pH, the probe exhibited 223-fold enhancement in fluorescence intensity by a Michael addition of cysteine to the maleimide appended to a chromenoquinoline. Cell permeability and live cell imaging of thiols are also demonstrated. 相似文献
3.
The aim of this brief report is to study the behaviour of sheath structure in a multi-component plasma with dust-neutral collisions.
The plasma consists of electrons, ions, micron size negatively charged dust particles and neutrals. The sheath-edge potential
and sheath width are calculated for collisionally dominated sheath. Comparison of collisionless and collisionally dominated
sheath are made. 相似文献
4.
The symmetric sinc-Galerkin method developed by Lund, when appliedto the second-order self-adjoint boundary value problem, givesrise to a symmetric coefficient matrix has a special structureso that it can be advantageously used in solving the discretesystem. In this paper, we employ the preconditioned conjugategradient method with banded matrices as preconditioners. Weprove that the condition number of the preconditioned matrixis uniformly bounded by a constant independent of the size ofthe matrix. In particular, we show that the solution of an n-by-ndiscrete symmetric sinc-Galerkin system can be obtained in O(nlog n) operations. We also extend our method to the self-adjointelliptic partial differential equation. Numerical results aregiven to illustrate the effectiveness of our fast iterativesolvers. 相似文献
5.
The angular distribution of the five-fold differential cross section for the electron impact double ionization of He (21
S) and He (23
S) has been studied. The kinematical conditions for maxima/minima in the angular distribution for the two cases have been compared.
The two-step process for the double ionization is found to contribute very little in the triplet case. 相似文献
6.
Balakrishna Dulla E. Sailaja Upendar Reddy CH Madhu Aeluri Arunasree M. Kalle S. Bhavani D. Rambabu M.V. Basaveswara Rao Manojit Pal 《Tetrahedron letters》2014
Indole based novel small molecules were designed as potential anticancer agents. Multi step synthesis of these compounds was carried out by using Pd/C–Cu mediated coupling–cyclization strategy as a key step. The single crystal X-ray diffraction study was used to confirm the molecular structure of a representative compound unambiguously. Many of these compounds were evaluated for their anti-proliferative properties in vitro against six cancer cell lines as well as noncancerous cells. All these compounds showed selective growth inhibition of cancer cells and several of them were found to be promising with IC50 values in the range of 0.1–1.2 μM, comparable to the known anticancer drug doxorubicin. 相似文献
7.
MK Bhide RM Kadam MD Sastry Ajay Singh Shashwati Sen Manmeet Kaur DK Aswal SK Gupta VC Sahni 《Pramana》2002,58(5-6):799-802
Microwave absorption studies have been carried out on MgB2 superconductor using a standard X-band EPR spectrometer. The modulated low-field microwave absorption signals recorded for
polycrystalline (grain size ∼ 10 μm) samples suggested the absence of weak-link character. The field dependent direct microwave
absorption has been found to obey a ✓H dependence with two different slopes, which indicated a transition from strongly pinned lattice to flux flow regime. 相似文献
8.
Rao RM Reddy UC Alinakhi Mulakayala N Alvala M Arunasree MK Poondra RR Iqbal J Pal M 《Organic & biomolecular chemistry》2011,9(10):3808-3816
A new one-pot synthesis of 2-(hetero)aryl indoles via sequential C-C coupling followed by C-Si bond cleavage and a subsequent tandem C-C/C-N bond forming reaction is described. A variety of functionalized indole derivatives were prepared by conducting this four step reaction under Pd/C-Cu catalysis. The methodology involved coupling of (trimethylsilyl)acetylene with iodoarenes in the presence of 10% Pd/C-CuI-PPh(3) and triethylamine in MeOH, followed by treating the reaction mixture with K(2)CO(3) in aqueous MeOH, and finally coupling with o-iodoanilides. The single crystal X-ray data of a synthesized indole derivative is presented. Application of the methodology, in vitro pharmacological properties of the synthesized compound, along with a docking study is described. 相似文献
9.
Layek M Reddy M A Rao AV Alvala M Arunasree MK Islam A Mukkanti K Iqbal J Pal M 《Organic & biomolecular chemistry》2011,9(4):1004-1007
A facile two-step method for the construction of fused pyrrole ring leading to 5-substituted 2,3-dihydro-1H-pyrrolo[3,2,1-ij]quinolin-1-ones via C-C followed by intramolecular C-N bond forming reaction is described. In vitro pharmacological evaluation and molecular modelling studies of some of the compounds synthesized are presented. 相似文献
10.
Kumar KS Rambabu D Prasad B Mujahid M Krishna GR Rao MV Reddy CM Vanaja GR Kalle AM Pal M 《Organic & biomolecular chemistry》2012,10(24):4774-4781
Regioselective construction of a fused 2-ylidene chromene ring was achieved for the first time by using AlCl(3)-induced C-C bond formation followed by Pd/C-Cu mediate coupling-cyclization strategy. A number of chromeno[4,3-b]quinoxaline derivatives were prepared by using this strategy. Single crystal X-ray diffraction study of a representative compound e.g. 6-(2,2-dimethylpropylidene)-4-methyl-6H-chromeno[4,3-b]quinoxalin-3-ol confirmed the presence of an exocyclic C-C double bond with Z-geometry. The crystal structure analysis and hydrogen bonding patterns of the same compound along with its structure elaboration via propargylation followed by Sonogashira coupling of the resulting terminal alkyne is presented. A probable mechanism for the formation of 2-ylidene chromene ring is discussed. Some of the compounds synthesized showed anticancer properties when tested in vitro. 相似文献