Origin of the stereo- and regioselectivities in the Diels-Alder reactions of azaphospholes: a DFT investigation

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.     

Transmutation of 129I, 237Np, 238Pu, 239Pu, and 241Am using neutrons produced in target-blanket system ‘Energy plus Transmutation’ by relativistic protons

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.      

<Emphasis Type="Italic">C</Emphasis>-field Cosmological Models with Variable <Emphasis Type="Italic">G</Emphasis> in FRW Space–Time

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.     

Cosmological Models with Variable <Emphasis Type="Italic">G</Emphasis> in <Emphasis Type="Italic">C</Emphasis>-Field Cosmology

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.     

Development of the Monte Carlo model CASCADE-2004 of high-energy nuclear interactions

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.     

A Study on Deletion in Polymer Region of Amelogenin (Amel Y) Gene: Significant Importance in Sex Determination and Identification of Sexual Assault Perpetrator

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.     

Neutron spallation source and the Dubna Cascade Code

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     

Preparation of Iodide Selective Carbon Paste Electrode with Modified Carbon Nanotubes by Potentiometric Method and Effect of CuS‐NPs on Its Response

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.     

Measurement and simulation of the cross sections for the production of 148Gd in thin natW and 181Ta targets irradiated with 0.4- to 2.6-GeV protons

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.     

Measurement and simulation of the cross sections for nuclide production in 93Nb and natNi targets irradiated with 0.04- to 2.6-GeV protons

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.