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1.
Computations of the Diels-Alder (DA) reactions of azaphosphole representative namely, thiazolo[3,2-d][1,4,2]diazaphosphole with 1,3-butadiene and isoprene at the density functional theory level reveal concerted mechanisms via asynchronous transition states. The activation energies (B3LYP/6-311++G**// B3LYP/6-311G**), 16-19 kcal mol−1, are much smaller than the value (32.57 kcal mol−1) calculated for the DA reaction of the non-phosphorus analogue, imidazo[2,1-b]thiazole with 1,3-butadiene. An electron-withdrawing group at the 3-position of the dienophile enhances both stereo- and regioselectivities, which agree nicely with the experimental values. Inclusion of solvent effect (PCM model) reveals that the stereo- and regioselectivities are not affected appreciably. The relative stabilities of the transition structures corresponding to the endo/exo stereoisomers and meta (P/Me, 1:3)/para (P/Me, 1:4) regioisomers have been rationalized on the basis of the secondary molecular orbital interactions. 相似文献
2.
J. Adam K. Katovsky A. Balabekyan V. G. Kalinnikov M. I. Krivopustov H. Kumawat A. A. Solnyshkin V. I. Stegailov S. G. Stetsenko V. M. Tsoupko-Sitnikov W. Westmeier 《Pramana》2007,68(2):201-212
Target-blanket facility ‘Energy + Transmutation’ was irradiated by proton beam extracted from the Nuclotron Accelerator in
Laboratory of High Energies of Joint Institute for Nuclear Research in Dubna, Russia. Neutrons generated by the spallation
reactions of 0.7, 1.0, 1.5 and 2 GeV protons and lead target interact with subcritical uranium blanket. In the neutron field
outside the blanket, radioactive iodine, neptunium, plutonium and americium samples were irradiated and transmutation reaction
yields (residual nuclei production yields) have been determined using γ-spectroscopy. Neutron field's energy distribution
has also been studied using a set of threshold detectors. Results of transmutation studies of 129I, 237Np, 238Pu, 239Pu and 241Am are presented.
相似文献
3.
C-field cosmological models based on Hoyle-Narlikar theory with variable gravitational constant G in the frame work of FRW (Friedmann-Robertson-Walker) space–time for positive and negative curvatures are investigated. To
get the deterministic solutions in terms of cosmic time t, we have assumed G=R
n
and discussed for n=−1, −2, R being scalar factor. In both the cases, creation field C increases with time, the gravitational constant G and matter density (ρ) decrease with time in the model (21). In the model (41) G decreases with time and matter density (ρ) is constant. The other physical aspects of the models are also discussed. 相似文献
4.
Cosmological models with variable G in C-field cosmology for barotropic fluid distribution in FRW space-time are investigated. To get the deterministic model of the
universe, we have assumed that G=R
n
where R is the scale factor and n the constant. To obtain the results in terms of cosmic time t, we have assumed n=−1. We find that for n=−1, Creation field (C) and spatial volume increase with time, G and ρ (matter density) decreases with time, the model represent accelerating universe. Thus inflationary scenario exists in the
model. The model is also free from horizon. The results so obtained match with the astronomical observations. 相似文献
5.
The Monte Carlo code CASCADE for the calculation of inelastic hadron- and nucleus-nucleus interactions at energies from several
tens of MeV up to several tens of GeV and for modelling of nuclear-physical processes accompanying the transport of particles
and nuclei in matter is improved by considering a more detailed model of decay of highly excited residual (after-intranuclear-cascade)
nuclei. Results of calculations are in good agreement with experiment. However, there are some deviations for light-isotope
production, which prompt the necessity of developing more correct models of evaporation and strong asymmetric high-energy
fission. 相似文献
6.
Kapil Parihar Surya Shekhar Daga Umema Ahmed G. K. Mathur Supriya Kumari Jyoti Kumawat Mahipal Singh Sankhla 《Macromolecular Symposia》2024,413(1):2300056
Accurate gender determination is crucial in many scientific disciplines, especially in prenatal diagnosis of X-linked diseases and forensic investigations. Today, molecular techniques, especially typing for a length variation in the X–Y homologous amelogenin gene (AMEL X and AMEL Y), are used for gender assignation. This amelogenin is an integral part of most PCR multiplex kits for gender determination marker, but in 1998 there was a report of two normal males being typed as female with this marker. Subsequently, a small number of males with amelogenin deleted genes have been reported in various populations but little data are available characterizing these deletions. This review aims to explore possible relationships among the AMEL Y deleted samples and Y-chromosome microsatellite haplotypes. Also, attempts are made to determine the frequency of males with AMEL Y deleted gene in various countries across the globe. Although some studies have shown that males with AMEL Y deleted gene are extremely rare in most populations, typing an additional gender-determining locus should be considered in forensic investigations where the reference sample is of unknown gender. 相似文献
7.
Neutron multiplicity per incident proton,n/p, in collision of high energy proton beam with voluminous Pb and W targets has been estimated from the Dubna Cascade Code
and compared with the available experimental data for the purpose of benchmarking of the code. Contributions of various atomic
and nuclear processes for heat production and isotopic yield of secondary nuclei are also estimated to assess the heat and
radioactivity conditions of the targets. Results obtained from the code show excellent agreement with the experimental data
at beam energy,E < 12 GeV and differ maximum up to 25% at higher energy 相似文献
8.
Preparation of Iodide Selective Carbon Paste Electrode with Modified Carbon Nanotubes by Potentiometric Method and Effect of CuS‐NPs on Its Response
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Mehrorang Ghaedi Seyedeh Yasaman Shajaripour Jaberi Shaaker Hajati Morteza Montazerozohori Masoumeh Zarr Arash Asfaram Lokesh Kumar Kumawat Vinod Kumar Gupta 《Electroanalysis》2015,27(6):1516-1522
In this research, multiwalled carbon nanotubes (MWCNTs) was oxidized and chemically modified through reaction with 3‐(trimethoxysilyl)propan‐1‐amine (TMSPA) and their subsequent reaction with 2‐hydroxy‐3‐methoxy benzaldehyde. Subsequently, this material was metalized by reaction with copper acetate that lead to formation and impergeation of 2‐methoxy‐6‐((3‐(trimethoxysilyl)propylimino)methyl)phenol MMSPIMP? MWCNT‐Cu. This novel material was identified with different techniques such as SEM and FT‐IR analysis. In this work, the reported material are exhibited high accurate and repeatable monitoring of iodide due to its high surface area with various reactive centre. It exhibited selectivity for iodide over the wide linear dynamic range between 1.8×10?6 and 1.15×10?1 M, with a Nernstian slope of ?59.12±0.7 mV per decade of activity and detection limit of 1.8×10?6 M. Copper sulfide nanoparticles were prepared and their effect on the electrode response was investigated. The results were improved in the presence of nanoparticles with fast and stable response, good reproducibility, long‐term stability, high selectivity over the presence of common organic and inorganic anions, high detection limit and dynamic range. The proposed sensor has been applied as potentiometric determination of some iodine species over a pH range of 2.5–10. 相似文献
9.
Yu. E. Titarenko V. F. Batyaev A. Yu. Titarenko M. A. Butko K. V. Pavlov S. N. Florya R. S. Tikhonov V. M. Zhivun A. V. Ignatyuk S. G. Mashnik S. Leray A. Boudard J. Cugnon D. Mancusi Y. Yariv K. Nishihara N. Matsuda H. Kumawat G. Mank W. Gudowski 《Physics of Atomic Nuclei》2011,74(4):573-579
The cross sections for the production of 148Gd in natW and 181Ta targets irradiated by 0.4-, 0.6-, 0.8-, 1.2-, 1.6-, and 2.6-GeV protons at the ITEP accelerator complex have been measured by direct α spectrometry without chemical separation. The experimental data have been compared with the data obtained at other laboratories and with the theoretical simulations of the yields on the basis of the BERTINI, ISABEL, CEM03.02, INCL4.2, INCL4.5, CASCADE07, and PHITS codes. 相似文献
10.
Yu. E. Titarenko V. F. Batyaev A. Yu. Titarenko M. A. Butko K. V. Pavlov S. N. Florya R. S. Tikhonov V. M. Zhivun A. V. Ignatyuk S. G. Mashnik S. Leray A. Boudard J. Cugnon D. Mancusi Y. Yariv K. Nishihara N. Matsuda H. Kumawat G. Mank W. Gudowski 《Physics of Atomic Nuclei》2011,74(4):537-550
The cross sections for nuclide production in thin 93Nb and natNi targets irradiated by 0.04- to 2.6-GeV protons have been measured by direct γ spectrometry using two γ spectrometers with the resolutions of 1.8 and 1.7 keV in the 60Co 1332-keV γ line. As a result, 1112 yields of radioactive residual nuclei have been obtained. The 27Al(p, x)22Na reaction has been used as a monitor reaction. The experimental data have been compared with the MCNPX (BERTINI, ISABEL), CEM03.02, INCL4.2, INCL4.5, PHITS, and CASCADE07 calculations. 相似文献