Prediction of downwind tritium air concentrations in the environment around Narora Atomic Power Station was studied on the
basis of Gaussian plume dispersion model. The tritium air concentrations by field measurement [measured tritium air concentrations
in the areas adjacent to NAPS] were compared with the theoretically calculated values (predicted) to validate the model. This
approach will be useful in evaluating environmental radiological impacts due to standard pressurised heavy water reactors. 相似文献
Abstract Hydro-distilled essential oils, from fresh rhizomes and leaves of Curcuma mutabilis ?korni?k., M.Sabu & Prasanthk., characterized by GC–MS revealed the presence of thirty three and twenty three compounds therein respectively. Whilst estrone methyl ether (3-Methoxyestra-1,3,5(10)-trien-17-one) was the major component in rhizome oil (47.35%), sesquiterpene hydrocarbons predominated as the major group (63.92%) in leaf oil with a higher preponderance of β-caryophyllene (25.48%), β-farnesene (19.47%) and α-humulene (11.01%). Weak antioxidant activities observed in these oils determined by DPPH and ABTS methods were apparently influenced both by the oil composition and the assay conditions. Rhizome oil showed higher antiproliferative activity than leaf oil against leukemic K562 (IC50-6.8µg/mL) and colorectal HCT116 (IC50-8.5µg/mL) cancer cell lines. This first report reveals composition and biological activities of essential oils from C. mutabilis. 相似文献
Phloroglucinols are characteristic constituents of Hypericumjaponicum that are claimed to exert several bioactivities, such as anti-inflammatory, anti-depressant and anti-viral ones. Phloroglucinols are unstable compounds and their synthesis is challenging; thus, isolation from natural sources is still one of the main strategies for obtaining these constituents in purified form. Assessing the presence of phloroglucinols in plant materials can be of interest for compound isolation, and LC-MS approaches afford sensitivity and specificity in this regard. In this work, we combined data from quadrupole-time of flight (QTOF) and ion trap (IT) mass spectrometers in order to assess the presence of the phloroglucinols characteristic of H. japonicum and to elucidate their MS fragmentation pathways. The identified compounds present similar structures bearing the 1,3,5-trihydroxybenzene core with different substitutions, which, in constituents at higher MW, is linked to 3′,3′-dimethyl-6′-oxo-phlorisobutyrophenone by a methylene bridge. Differences in MS2 spectra of the considered phloroglucinols are useful for compound identification and differentiation, and to perform dereplication studies. Overall, the proposed approach could be useful for the analysis of phloroglucinols in H. japonicum and other plant species. 相似文献
A series of hydrogen-bonded complexes between N-heterocyclic analogs of Indene and amino acid side-chain mimics have been analyzed employing second-order Møller-Plesset perturbation (MP2) theory and density functional theory with dispersion function (DFT-D) calculations with the aim of gaining greater insight in to the nature of intermolecular interactions in these systems. In this study, the hydrogen bonding ability of N-heterocyclic analogs of Indene towards amino acid side-chain mimics follows the sequence Azaindazole (AIND) > Indazole (IND) > Azaindole (AIN) > Indole (IN) whereas the hydrogen bonding ability of amino acid side-chain mimics towards N-heterocyclic analogs of Indene follows the sequence AcOH > MeNH2 > MeOH > MeSH. Bader’s theory of atoms in molecules (AIM) and natural bond orbitals (NBO) analyses are employed to elucidate the interaction characteristics in the complexes under study. The purpose of conducting these studies is to measure the relative strength of hydrogen bonding interactions such as N-H···O=C, N-H···O, N-H···S, N-H···N, and O-H···N in these complexes and their role in providing stability to the complexes. The AIM theory shows good correlation of the electron density and its Laplacian at the bond critical points (BCP) with the computed stabilization energy for all the complexes under study.
The current study aimed to identify a new strategy of FeCl3 catalyzed multicomponent synthesis of substituted 2H-chromene–fused pyrrole derivatives. A series of chromene-based pyrrole prepared by employing an array of 3-nitro-2H-chromenes, aniline, and acetylacetone in toluene under microwave irradiation. Using FeCl3 as a prompt catalyst and microwave irradiation to synthesize 2H-chromene–fused pyrrole motifs significantly reduces the reaction time and facilitates to high yields (83%-95%). Structure of all synthesized compounds analyzed by spectroscopic analysis. One-pot reaction, short reaction period, and simple experimental procedure are the fascinating properties associated with this protocol. The in vitro antibacterial activity of the entire series was assessed against Staphylococcus aureus and Escherichia coli. Out of all the compounds, 15b and 15h revealed most excellent potency against both the bacterial strains relative to the reference gentamicin. Docking study was employed to determine the possible binding orientation of DNA gyrase with the active sites of chromene-fused pyrrole analog. The docking results show that compounds 15b and 15h have higher binding affinity with energy −8.00 and −8.80 kcal/mol. These results illuminate the mode of binding progression and provide an esteemed pathway for the design and the structural modification of chromene-fused pyrroles as a newly advanced class of antibacterial agent. 相似文献
Two extremely bulky boryl/silyl-substituted amide ligands, –N{B(DipNCH)2}(SiR3) (R = Me TBoL, R = Ph PhBoL; Dip = 2,6-diisopropylphenyl) were used in the preparation of the group 12 metal halide complexes, PhBoLZnBr, {TBoLCd(μ-I)}2, TBoLHgI, and PhBoLHgI. The reduction of these, and two previously reported compounds, PhBoLZnBr(THF) and {PhBoLCd(μ-I)}2, using a magnesium(I) compound, {(MesNacnac)Mg}2 (MesNacnac = [(MesNCMe)2CH]–, Mes = mesityl), were carried out, leading to mixed results. In several cases these reactions led to decomposition, and deposition of the group 12 metal. However, in two instances the homobimetallic metal(I) complexes, TBoLM–MTBoL (M = Zn or Hg), were isolated and crystallographically characterized. The reduction of {PhBoLCd(μ-I)}2 afforded the known cadmium(I) complex, PhBoLCd–CdPhBoL, but also gave a very low yield of the thermally unstable complex, PhBoLCd–Mg(THF)(MesNacnac). The X-ray crystal structure of this compound reveals it to contain the first example of a Cd–Mg bond in a molecular compound. 相似文献
The aim of this paper is to define $(p, q)$-analogue of Mittag-Leffler Function, by using $(p, q)$-Gamma function. Some transformation formulae are also derived
by using the $(p, q)$-derivative. The $(p, q)$-analogue for this function provides elegant
generalization of $q$-analogue of Mittag-Leffler function in connection with $q$-calculus.
Moreover, the $(p, q)$-Laplace Transform of the Mittag-Leffler function has been obtained. Some special cases have also been discussed. 相似文献