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21.
Kaushik Sen Bhaskar Mondal Srimanta Pakhira Chandan Sahu Deepanwita Ghosh Abhijit K. Das 《Theoretical chemistry accounts》2013,132(8):1-17
The association reaction between silyl radical (SiH3) and H2O2 has been studied in detail using high-level composite ab initio CBS-QB3 and G4MP2 methods. The global hybrid meta-GGA M06 and M06-2X density functionals in conjunction with 6-311++G(d,p) basis set have also been applied. To understand the kinetics, variational transition-state theory calculation is performed on the first association step, and successive unimolecular reactions are subjected to Rice–Ramsperger–Kassel–Marcus calculations to predict the reaction rate constants and product branching ratios. The bimolecular rate constant for SiH3–H2O2 association in the temperature range 250–600 K, k(T) = 6.89 × 10?13 T ?0.163exp(?0.22/RT) cm3 molecule?1 s?1 agrees well with the current literature. The OH production channel, which was experimentally found to be a minor one, is confirmed by the rate constants and branching ratios. Also, the correlation between our theoretical work and experimental literature is established. The production of SiO via secondary reactions is calculated to be one of the major reaction channels from highly stabilized adducts. The H-loss pathway, i.e., SiH2(OH)2 + H, is the major decomposition channel followed by secondary dissociation leading to SiO. 相似文献
22.
A simple one-step synthetic methodology for stereoselective synthesis of E- and Z-3-bromo-2-vinyl chromones in quantitative yield in polar solvents under ambient conditions without the use of catalysts is reported. 相似文献
23.
A simple and efficient transesterification process for the synthesis of β-ketoester derivatives has been achieved by the reaction of methyl β-ketoester with higher alcohols at 110 °C under solvent-free, catalyst-free conditions and its application in synthesis of 3,4-dihydropyrimidin-2(1H)-ones C-5 ester derivatives via Biginelli reaction has been described. 相似文献
24.
S. Kumar S. U. Kasar R. K. Bajpai C. P. Kaushik R. Guin S. K. Das B. S. Tomar 《Journal of Radioanalytical and Nuclear Chemistry》2014,300(1):45-49
Kinetics of sorption of Pu(IV) by smectite-rich clay has been studied at varying metal ion concentrations. Different concentrations were achieved using different isotopes of Pu, namely, 239Pu, 238Pu and 237Pu. 237Pu was produced by alpha induced reaction on 235U, followed by radiochemical separation of Pu from irradiated U3O8 target. The concentrations used are above and below the solubility of Pu(IV) under neutral pH conditions, thereby, indicating the mechanism of sorption reactions of Pu(IV) in typical laboratory experiments and field level observations. Kinetics of Pu(IV) at 10?13 M concentration was found to be fast whereas at higher metal concentration the rate is governed by a slow step, indicating the role of formation of Pu(IV) polymeric species at the sorbent surface. 相似文献
25.
Leena V. Bora Manan Rathod Kush Kapadia Sonal Thakkar R.N. Reddy Sandesh S. Chougule Nisha V. Bora 《印度化学会志》2022,99(7):100560
In this study, we report a waste material-ground granulated blast furnace slag (GGBFS) as a low cost geopolymer, hybridised with ZnO to form a novel and efficient photocatalyst capable of discolouring textile wastewater. GGBFS is a waste material in an iron industry. Methylene blue was used as the probe dye and natural sunlight was used for activation of the photocatalyst. It was observed that under the experimental conditions, ZnGP-40 exhibited twice the discoloration efficiency than conventionally used ZnO or TiO2. This enhanced performance is majorly attributed to increased surface area of ZnO when strewn in the GGBFS matrix. The photocatalysts were characterized by SEM, TEM, PSA, TGA, BET and UV–Vis/NIR. The effect of photocatalyst loading, speed of agitation and solar insolation has also been studied. Since this study has been performed in direct sunlight, it exhibits a realizable application of solar energy in the treatment of wastewater. 相似文献
26.
Patra Kankan Sengupta Arijit Mishra R. K. Mittal V. K. Valsala T. P. Kaushik C. P. 《Journal of Radioanalytical and Nuclear Chemistry》2022,331(3):1473-1481
Journal of Radioanalytical and Nuclear Chemistry - Efficient and selective extraction of 137Cs and 90Sr from high level liquid waste (HLLW) is of utmost importance in the back end nuclear fuel... 相似文献
27.
Wang Haoran Wasim Akhtar Lalit Mohan Nainwal Sumit Kumar Kaushik Mymoona Akhter Mohammad Shaquiquzzaman Mohammad Mumtaz Alam 《Journal of heterocyclic chemistry》2020,57(9):3350-3360
Thirteen new benzimidazole pendant cyanopyrimidine derivatives were synthesized. The compounds were synthesized through multistep reaction protocol. The structures of synthesized derivatives were studied by EI-MS, 1H NMR, FT-IR and elemental analysis. All the compounds were studied for their anticancer activity at National Cancer Institute. Except compound 7j , all the compounds unveiled cytotoxicity against cancer cells. The most active compound 7a had shown highest value of growth inhibition of 88.44% and 84.19% against HOP-92 and T-47D cancer cell lines. 相似文献
28.
M.A. Mujawar H. Gohel S.K. Bhardwaj S. Srinivasan N. Hickman A. Kaushik 《Materials Today Chemistry》2020
Biosensors are emerging as efficient (sensitive and selective) and affordable analytical diagnostic tools for early-stage disease detection, as required for personalized health wellness management. Low-level detection of a targeted disease biomarker (pM level) has emerged extremely useful to evaluate the progression of disease under therapy. Such collected bioinformatics and its multi-aspects-oriented analytics is in demand to explore the effectiveness of a prescribed treatment, optimize therapy, and correlate biomarker level with disease pathogenesis. Owing to nanotechnology-enabled advancements in sensing unit fabrication, device integration, interfacing, packaging, and sensing performance at point-of-care (POC) has rendered diagnostics according to the requirements of disease management and patient disease profile i.e. in a personalized manner. Efforts are continuously being made to promote the state of art biosensing technology as a next-generation non-invasive disease diagnostics methodology. Keeping this in view, this progressive opinion article describes personalized health care management related analytical tools which can provide access to better health for everyone, with overreaching aim to manage healthy tomorrow timely. Considering accomplishments and predictions, such affordable intelligent diagnostics tools are urgently required to manage COVID-19 pandemic, a life-threatening respiratory infectious disease, where a rapid, selective and sensitive detection of human beta severe acute respiratory system coronavirus (SARS-COoV-2) protein is the key factor. 相似文献
29.
Kaushik Dey Shebeeb Kunjattu H. Anurag M. Chahande Rahul Banerjee 《Angewandte Chemie (International ed. in English)》2020,59(3):1161-1165
Covalent organic frameworks (COFs) have attracted attention due to their ordered pores leading to important industrial applications like storage and separation. Combined with their modular synthesis and pore engineering, COFs could become ideal candidates for nanoseparations. However, the fabrication of these microcrystalline powders as continuous, crack‐free, robust films remains a challenge. Herein, we report a simple, slow annealing strategy to construct centimeter‐scale COF films ( Tp‐Azo and Tp‐TTA ) with micrometer thickness. The as‐synthesized films are porous (SABET=2033 m2 g?1 for Tp‐Azo ) and chemically stable. These COFs have distinct size cut‐offs (ca. 2.7 and ca. 1.6 nm for Tp‐Azo and Tp‐TTA , respectively), which allow the size‐selective separation of gold nanoparticles. Unlike, other conventional membranes, the durable structure of the COF films allow for excellent recyclability (up to 4 consecutive cycles) and easy recovery of the gold nanoparticles from the solution. 相似文献
30.
A series of Cp2Ti(SB)Cl complexes, whereSB is the anion of bidentate Schiff bases derived from salicylaldehyde and different primary aminesviz o-anisidine,m-anisidine,o-phenetidine,o-chloroaniline,m-chloroaniline,m-nitroaniline, α-naphthylamine and benzylamine, have been synthesised by the reaction of dichloro-bis(cyclopentadienyl) titanium(IV),
Cp2TiCl2, and bidentate Schiff base (sbh) in a 1:1 molar ratio in refluxingthf in the presence of triethylamine. The new derivatives have been characterised on the basis of their elemental analyses, conductance
measurements and spectral (IR,1Hnmr and electronic) studies 相似文献