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排序方式: 共有531条查询结果,搜索用时 15 毫秒
1.
Rita Kakkar Mallika Pathak Preeti Chadha 《International journal of quantum chemistry》2005,102(2):189-199
The rearrangement of vinylidene to acetylene has been studied in detail by the density functional method, using Becke's three‐parameter exchange functional and the gradient‐corrected functional of Lee, Yang, and Parr. The rearrangement of the anion, as well as that of fluoro‐substituted systems, has also been investigated, in order to determine the effect of fluorine substitution on the activation barrier to the 1,2‐hydrogen shift, as well as the relative migratory aptitudes of hydrogen and fluorine. Natural bond orbital analysis is invoked to gain insight into the mechanisms of the rearrangements. Basis size effects are also discussed, particularly in relation to anionic systems. The need to include diffuse functions in geometry optimizations of anionic systems is reinforced by the present calculations. © 2004 Wiley Periodicals, Inc. Int J Quantum Chem, 2005 相似文献
2.
Pathak JA Davis MC Hudson SD Migler KB 《Journal of colloid and interface science》2002,255(2):391-402
We investigate the influence of confinement on the steady state microstructure of emulsions sheared between parallel plates, in a regime where the average droplet dimension is comparable to the gap width between the confining walls. Utilizing droplet velocimetry, we find that the droplets can organize into discrete layers under the influence of shear. The number of layers decreases from two (at relatively higher shear rates) to one (at lower shear rates), as the drops grow slightly larger due to coalescence. We argue that the layering and overall composition profile may be controlled by the interplay of droplet collisions (which can cause separation of droplet centers in the velocity gradient direction), droplet migration toward the centerline (due to wall effects), and droplet packing constraints. We also study the effects of mixture composition on droplet microstructure, and summarize these results in the form of a morphology diagram in the parameter space of mass fraction and shear rate. We find that formation of strings of the suspended phase (reported earlier by our group in flow-visualization studies on confined emulsions) is observed over a broad composition window. We also find a stable (nontransient) morphology wherein the droplets are arranged in highly ordered pearl-necklace chain structures. 相似文献
3.
The condensation products of 5-amino-1,3-disubstituted-pyrazoles with aromatic aldehydes were identified as 2,4-dihydro-2,5-diphenyl-4-(phenylmethylene)-3H-pyrazol-5-imine derivatives Treatment of these products with mercaptoacetic acid gave new fluorine containing 1H-pyrazolo[3,4-e][1,4]thiazepin-7-ones. 相似文献
4.
Richa Pathak 《Tetrahedron》2007,63(2):451-460
Trifluoroacetic acid has been discovered to be a highly effective and efficient reagent for the tandem Claisen rearrangement and cyclization reaction to yield 3-arylmethylene-3,4-dihydro-1H-quinolin-2-ones from compounds obtained from the SN2 reaction between anilines and acetyl derivatives of Baylis-Hillman adducts of acrylates in the presence of DABCO. In contrast, similar compounds obtained from the acetyl derivatives of Baylis-Hillman adduct of acrylonitrile on treatment with trifluoroacetic acid directly furnish 3-arylmethyl-2-amino-quinoline via tandem Claisen rearrangement, cyclization and isomerization. 相似文献
5.
The oxidation of 2,6-di-tert-butylphenol with tert-butylhydroperoxide (ButO2H) has been studied using polymer (XAD4) anchored salicylaldoxime, 1,3-propylene-bis-salicylaldimine and o-phenylene-bis-salicylaldimine complexes of molybdenum and vanadium in acetonitrile. The predominant products formed in the oxidation reactions were 2,6-di-tert-butylbenzoquinone (BQ) and 3,3′-5,5′-tetra-tert-butyldiphenoquinone (dPQ), whereas with some only 2,6-di-tert-butylbenzoquinone was formed. This is the first reported use of polymer anchored molybdenyl and vanadyl complexes in selective oxidation of 2,6-di-tert-butylphenol. Solvent plays an important role in this reaction. The effects of varying the ligand, metal and the support on the catalytic activity in the oxidation of 2,6-di-tert-butylphenol have been studied. With polymer anchored MoO2(salpen), 81% of 2,6-di-tert-butylbenzoquinone was formed from 2,6-di-tert-butylphenol. 相似文献
6.
Abstract— Phytoene, the colorless triene precursor of β-carotene (17 mg/g body weight) or a placebo was given to guinea pigs by daily intraperitoneal injection for 14 days, after which the animals were exposed to radiation (> 280 nm). It was found that the animals receiving phytoene developed significantly less erythema to the radiation than did the animals receiving placebo. 相似文献
7.
Krishna C. Joshi Vijai N. Pathak Raj Pal Singh 《Monatshefte für Chemie / Chemical Monthly》1980,111(6):1343-1350
Several new 2-(fluoroaryl)-3-dialkylaminomethylindoles, 3-acetyl-2-(fluoroaryl)-indoles, 2-(fluoroaryl)-3-indolylglyoxamides and corresponding tryptamines have been prepared as possible psychopharmacological agents. 2-(Fluoroaryl)-indoles have been synthesized by theFischer indole synthesis. 2-(Fluoroaryl)-indoles on treatment with oxalyl chloride and subsequent reaction with amines, gave 2-(fluoroaryl)-3-indolylglyoxamides. Some of these indolylglyoxamides were reducted with lithium aluminium hydride, to the corresponding tryptamines. 2-(Fluoroaryl)-indoles when subjected toMannich reaction afforded 3-dialkylaminomethyl-2-(fluoroaryl)-indoles. All these new compounds have been characterized by IR spectral studies.Possible Psychopharmacological Agents, Part XII, Part XI, J. Indian. Chem. Soc.57, 423 (1980). 相似文献
8.
Sorption of tracer Am3+ to silicate particles was studied as a function of pcH (4 to 9) and of ionic strength [0.20M to 1.50M (NaClO4)] at 298 K. The sorption increased with increased pcH from 4 to 6 above which saturation was observed. The insensitivity
of Am3+ sorption to increased ionic strength indicates inner-sphere complexation with the surface silicate sites. The effects of
different complexing anions such as carbonate, acetate, oxalate, phosphate, citrate, EDTA and humic acid, on Am3+ sorption were investigated. Synergistic enhancement in Am3+ sorption was observed in the presence of phosphate (4≤pcH≤7) and acetate (4≤pcH≤5) ligands at 0.20M NaClO4. The presence of the other ligands inhibited Am3+ sorption in the order: EDTA > citrate > oxalate > carbonate. Am3+ sorption in the presence of HA (25.00 mg/l) increased in the pcH range of 4.0 to 5.5, then decreased. Increased ionic strength
enhanced Am3+ sorption in the presence of 25.00 mg/l HA for 4≤pcH≤9. The sorption increased in the presence of a mixture of HA (25.00 mg/l)
and phosphate (1.00·10−3M) as compared to that of HA (25.00 mg/l) alone. The presence of Fe3+ (1.00·10−4M) enhanced Am3+ sorption at pcH∼4 but suppressed it from pcH of 5 to 9; 1.00·10−4M of Ca2+ and of UO22+ ions had no effect on the sorption profile.
On leave from Radiochemistry Division, Bhabha Atomic Research Centre, Trombay, Mumbai -400 085, India. 相似文献
9.
Dighe Vidya V. Pathak Gayatri M. Tulpule Ketan M. Gokarn Vijay N. 《平面色谱法杂志一现代薄层色谱法》2007,20(3):179-182
JPC – Journal of Planar Chromatography – Modern TLC - A sensitive high-performance thin-layer chromatographic method has been established for quantification of apigenin in dried root... 相似文献
10.
Pranjal Pathak Kriti Shrivastava Takayuki Ichikawa Ankur Jain Rini Singh 《Molecules (Basel, Switzerland)》2022,27(13)
The hunt for a cleaner energy carrier leads us to consider a source that produces no toxic byproducts. One of the targeted alternatives in this approach is hydrogen energy, which, unfortunately, suffers from a lack of efficient storage media. Solid-state hydrogen absorption systems, such as lithium amide (LiNH2) systems, may store up to 6.5 weight percent hydrogen. However, the temperature of hydrogenation and dehydrogenation is too high for practical use. Various molar ratios of LiNH2 with sodium hydride (NaH) and potassium hydride (KH) have been explored in this paper. The temperature of hydrogenation for LiNH2 combined with KH and NaH was found to be substantially lower than the temperature of individual LiNH2. This lower temperature operation of both LiNH2-NaH and LiNH2-KH systems was investigated in depth, and the eutectic melting phenomenon was observed. Systematic thermal studies of this amide-hydride system in different compositions were carried out, which enabled the plotting of a pseudo-binary phase diagram. The occurrence of eutectic interaction increased atomic mobility, which resulted in the kinetic modification followed by an increase in the reactivity of two materials. For these eutectic compositions, i.e., 0.15LiNH2-0.85NaH and 0.25LiNH2-0.75KH, the lowest melting temperature was found to be 307 °C and 235 °C, respectively. Morphological studies were used to investigate and present the detailed mechanism linked with this phenomenon. 相似文献