Abstract
We present here the first catalytic conversion of n-alkanes to alkylaromatics using homogeneous or molecular catalysts--specifically 'pincer'-ligated iridium complexes--and olefinic hydrogen acceptors. For example, the reaction of n-octane affords up to 86% yield of aromatic product, primarily o-xyl...
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PMID: 21258391
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Abstract
The copper-mediated aromatic nucleophilic substitution reactions developed by Fritz Ullmann and Irma Goldberg required stoichiometric amounts of copper and very high reaction temperatures. Recently, it was found that addition of relatively cheap ligands (diamines, aminoalcohols, diketones, diols) ma...
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PMID: 21049595
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Abstract
At T≥ 140 °C, different primary aromatic amines (pX-C(6)H(4)NH(2); X = H, OCH(3), CH(3), Cl) react with both ethylene- and propylene-carbonates to yield a chemoselective N-alkylation process: bis-N-(2-hydroxyalkyl)anilines [pX-C(6)H(4)N(CH(2)CH(R)OH)(2); R = H, CH(3)] are the major products and t...
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PMID: 20844790
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Abstract
Well-defined aryl-Cu(III)-halide species undergo reductive elimination upon acid addition resulting in the formation of strong aryl-halide bonds. The computationally studied mechanism points towards ligand protonation as the rate-determining step, in agreement with previous experimental data.
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PMID: 20886163
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Abstract
The solvent-free, palladium-catalysed reaction of anilides with CuCl(2) in the presence or absence of copper acetate yields ortho-chlorinated anilides in good to excellent yields, even on a large scale (100 mmol). By contrast, the equivalent reactions with copper bromide, either solvent free or in 1...
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PMID: 20931130
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Abstract
This study was undertaken to investigate the current contamination status of polyhalogenated aromatic hydrocarbons (PHAHs) in sediments from large reservoirs located in Hebei and Hubei provinces in China. The concentrations of 21 polybrominated biphenyl (PBB) congeners, seven polybrominated diphenyl...
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PMID: 20924921
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Abstract
Attaining the National Ambient Air Quality Standard (NAAQS) for ozone (O3) could cost billions of dollars nationwide. Attainment of the NAAQS is judged on O3 measurements made by the Federal Reference Method (FRM), ethylene chemiluminescence, or a Federal Equivalent Method (FEM), predominantly ultra...
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PMID: 21141429
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Abstract
Geometric (HOMA) and magnetic (NICS) indices of aromaticity were estimated for aromatic rings of amino acids and nucleobases. Cartesian coordinates were taken directly either from PDB files deposited in public databases at the finest resolution available (≤ 1.5 Å), or from structures resulting fr...
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PMID: 20668897
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Abstract
Three laterally substituted liquid crystals were synthesized in order to investigate the effect of a lateral biforked chain on the thermal and analytical properties. The mesogenic molecules have the same core containing four aromatic rings connected by two ester and one diazo linkages, they differ b...
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PMID: 20828705
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Abstract
The contamination of soil with aromatic compounds is of particular environmental concern as they exhibit carcinogenic and mutagenic properties. One of the methods of their removal from soil is bioaugmentation, defined as a technique for improvement of the degradative capacity of contaminated areas b...
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PMID: 19735995
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Abstract
Systematic studies are presented demonstrating the complementarity of directed ortho metalation (DoM) and Ir-catalyzed strategies for the provision of borylated aromatics and their subsequent Suzuki-Miyaura coupling reactions. A new concept, the use of the TMS group, readily introduced by DoM, as a...
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PMID: 20533457
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Abstract
Palladium nanoparticles have been electrochemically supported on zirconium oxide nanostructured powders and all the nanomaterials have been characterized by several analytical techniques. The Pd/ZrO(2) nanocatalyst is demonstrated to be a very efficient catalyst in Heck, Ullmann, and Suzuki reaction...
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PMID: 20657374
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Abstract
This study was conducted with column experiments, batch experiments, and bench-scale permeable reactive barrier (PRB) for monitoring the PRB in the relation between BTEX (benzene, toluene, ethylbenzene, and p-xylene) decomposition efficiency and the distribution of a microbial community. To obtain t...
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PMID: 20122795
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Abstract
The adsorption of 1-naphthylamine, 1-naphthol and phenol on as-prepared and oxidized multiwalled carbon nanotubes (MWCNTs) has been investigated. The results illustrated that both as-prepared and oxidized MWCNTs showed high adsorption capacity for the three ionizable aromatic compounds (IACs) studie...
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PMID: 20153109
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Abstract
In this work, a reliable simple method has been introduced for predicting enthalpy of melting of nitroaromatic energetic compounds through their molecular structures. This method can be used for a wide range of nitroaromatics including halogenated nitroaromatic compounds. The contribution of hydroge...
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PMID: 20117881
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Abstract
Solvent-free reaction conditions facilitate a range of aromatic C-H functionalisations that traditionally require acidic or disfavoured solvents. These reactions include selective ortho- and meta-arylation of aryl carbamates and anilides and selective halogenation reactions.
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PMID: 20424748
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Abstract
Our results lend some support to an effect of exposure to traffic-related air pollutants from early pregnancy on fetal growth during mid-pregnancy.....
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PMID: 20103496
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Abstract
Atmospheric concentrations of aldehydes and monoaromatic hydrocarbons were determined in Tijuca Forest, the largest urban tropical forest in the Americas. The forest is a protected area, surrounded by the city of Rio de Janeiro. Data were also obtained in a commercial and a residential area for comp...
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PMID: 20403631
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Abstract
For comparison, the conventional TS and stepwise regression were also examined. Experimental results demonstrate that the modified TS is a useful tool for variable selection which converges quickly towards the optimal position.
2010. Published by Elsevier B.V....
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PMID: 20153153
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Abstract
This work presents a new synthetic approach to aromatic and aliphatic polycarbonates by melt polycondensation of bisphenol A diacetates with alkylene- and arylenediphenyl dicarbonates. The diphenyl dicarbonates were prepared from phenyl chloroformate and the corresponding dihydroxy compounds. The pr...
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PMID: 20657506
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Abstract
We propose this oxidative arene cross-coupling occurs via two discrete C-H bond activations, namely cyclopalladation and electrophilic metalation, within a Pd(0/II) catalytic cycle....
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PMID: 20359220
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Abstract
We demonstrate the first Au(I)-mediated C-H activation of arenes. Au(I) salts undergo C-H activation with electron-poor arenes, in stark contrast to Au(III) salts, which activate electron-rich arenes. This operationally simple and highly regioselective process occurs under very mild conditions and g...
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PMID: 20364835
PDF is available here.
Abstract
Pyromellitic dianhydride (1) was reacted with L-alanine (2) to result [N,N'-(pyromellitoyl)-bis-L-alanine diacid] (3). This compound (3) was converted to N,N'-(pyromellitoyl)-bis-L-alanine diacyl chloride (4) by reaction with thionyl chloride. The microwave-assisted polycondensation of this diacyl c...
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PMID: 19701713
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Abstract
A newly designed radical cascade involving N-acyl cyanamides is reported. It builds on aromatic homolytic substitutions as intermediate events and leads to complex heteroaromatic structures via an unprecedented radical migration of a substituent on aryl groups of quinazolinones (hydrogen or alkyl)....
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PMID: 20205425
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Abstract
An electronic nose (e-nose) based on thin film semiconductor sensors has been developed in order to compare the performance in threshold detection and concentration quantification with a trained human sensory panel in order to demonstrate the use of an e-nose to assess the enologists in an early det...
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PMID: 20152430
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Abstract
Air samples were collected in three well characterized locations in the city of Rio de Janeiro, Brazil: downtown, the idle and taxi way areas of the national airport and an urban forest, where the main emissions are from vehicular, aircraft and biogenic sources, respectively. Aldehydes and BTEX conc...
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PMID: 19806281
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Abstract
Seven different bacterial strains and primer sets and a mixed community were used to evaluate the use of reverse transcriptase quantitative PCR (Q-PCR) and Q-PCR of oxygenase genes to assess various approaches for monitoring the bioremediation of polluted sites. Differences in maximum activity were...
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PMID: 20023086
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Abstract
To study the volatile constituents from Chinese eaglewood samples produced by three different methods.
Essential oils of the three Chinese eaglewood samples were extracted with aether at room temperature. The chemical constituents and relative contents of the volatile oils were analyzed by GC-MS.
Th...
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PMID: 20575416
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Abstract
We have identified an expeditious synthetic method for the preparation of pyrroles fused with beta-lactams by reacting 3-amino beta-lactams with acetonylacetone in the presence of catalytic amounts (5 mol%) of molecular iodine at room temperature. It has also been discovered that the reaction gives...
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PMID: 20335963
PDF is available here.
Abstract
Regulation of aromatic degradation in obligate anaerobes was studied in the Fe(III)-respiring model organism Geobacter metallireducens GS-15. A two-component system and a sigma54-dependent promoter were identified that are both involved in the regulation of the gene coding for benzoate-coenzyme A li...
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PMID: 19915033
PDF is available here.
Abstract
Carcinogenic aromatic amines are widespread and need to be regulated. Genotoxic and non-genotoxic effects are both necessary for tumor development. The common mode of action includes metabolic activation, the reaction of metabolites with nucleic acids and cellular macromolecules as well as toxic eff...
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PMID: 20515745
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Abstract
We analyzed 28 surface sediment samples obtained in June, 2002 to evaluate the level of toxicity in the littoral zone, port-harbor, and La Ventosa estuary in Bahia Salina Cruz. The extractable organic matter concentration was high (1,213 to 7,505 micro g g(-1)) in 5 of 7 stations from the port and h...
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PMID: 20390851
PDF is available here.
Abstract
Three treatments were tested to investigate the release concentrations of volatile organic compounds (VOCs) during the bio-drying of municipal solid waste (MSW) by the aerobic and combined hydrolytic-aerobic processes. Results showed that VOCs were largely released in the first 4 days of bio-drying...
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PMID: 20608513
PDF is available here.
Abstract
Titania-coated silica spheres were prepared by a layer-by-layer self-assembly technique for use as a high-performance liquid chromatography packing. This packing has a high surface area of 202.1 m(2)/g, a large pore volume of 0.36 cm(3)/g, and a pore diameter of 7.0 nm. Furthermore, the packing part...
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PMID: 20056033
PDF is available here.
Abstract
We describe RHO classification schemes, we address the relationship between RHO structure and function. Structural differences affect substrate specificity and product formation. In the alpha subunit of the known terminal oxygenase of RHOs, there is a catalytic domain with a mononuclear iron center...
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PMID: 20652669
PDF is available here.
Abstract
An indirect competitive chemiluminescence enzyme-linked immunosorbent assay (CL-ELISA) for the determination of benzene, toluene, ethylbenzene, and ortho-, meta-, para-xylenes (BTEX) in soil and water was developed. The assay was optimized concerning the coating conjugate concentration, anti-BTEX an...
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PMID: 20631438
PDF is available here.
Abstract
We have previously discovered an allosteric modulator of the NK2 receptor that has the unique ability to discriminate among the two signaling pathways: calcium-signaling is not affected while cAMP signaling is significantly decreased. A series of compounds have been prepared and studied in order to...
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PMID: 19746979
PDF is available here.
Abstract
The absorption and fluorescence properties of 29 specially selected methyl substituted benzene, naphthalene, anthracene, biphenyl, fluorene and p-oligophenylenes compounds are studied experimentally (at 293K) and quantum-chemically. The fluorescence quantum yield, gamma, and decay times, tau(f), for...
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PMID: 19628424
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Abstract
We report a systematic surface-enhanced Raman spectroscopy (SERS) study of the structures of phosphonate derivatives of the N-heterocyclic aromatic compounds imidazole (ImMeP ([hydroxy(1H-imidazol-5-yl)methyl]phosphonic acid) and (ImMe)(2)P (bis[hydroxy-(1H-imidazol-4-yl)-methyl]phosphinic acid)), t...
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PMID: 19670840
PDF is available here.
Abstract
Combinations of N-heterocyclic carbenes (NHCs) and fluoride salts of the iron-group metals (Fe, Co, and Ni) have been shown to be excellent catalysts for the cross-coupling reactions of aryl Grignard reagents (Ar(1)MgBr) with aryl and heteroaryl halides (Ar(2)X) to give unsymmetrical biaryls (Ar(1)-...
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PMID: 19639999
PDF is available here.
Abstract
This contribution describes the substrate scope and mechanism of Pd-catalyzed ligand-directed C-H arylation with diaryliodonium salts. This transformation was applied to the synthesis of a variety of different biaryl products, using directing groups including pyridines, quinolines, pyrrolidinones, a...
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PMID: 19621899
PDF is available here.
Abstract
We present a facile and reproducible method to obtain thermally responsive, monodisperse, fluorescent microgels with diameters smaller than 700 nm based on poly(N-isopropyl acrylamide) (PNIPAM) interpenetrated with poly(thiophene-ethyl buthyl sulfonate) (PTEBS). Changing the temperature and inducing...
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PMID: 19456092
PDF is available here.
Abstract
First examples of heteroleptic arene ruthenium complexes containing dipyrrin ligands with the general formulations [(eta(6)-arene)RuCl(L)] [(arene = C(6)H(6), C(10)H(14); L = 5-(4-cyanophenyl)-dipyrromethene, cydpm; 5-(4-nitrophenyl)-dipyrromethene, ndpm and 5-(4-benzyloxyphenyl)-dipyrromethene, bdp...
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PMID: 19610658
PDF is available here.
Abstract
Our results highlight the significance of MWCNT SA for HA sorption and the associated influence on sorption of aromatic compounds. Further, molecular size and hydrophobicity of aromatic compounds strongly affected their competition with HA on MWCNTs....
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PMID: 19746716
PDF is available here.
Abstract
A mild method for selective synthesis of o-acylbenzylphosphonates has been developed by the reactions of arynes with beta-ketophosphonates. In the presence of CsF and THF, the carbon-carbon sigma-bonds of 2-oxopropylphosphonates were selectively cleaved and added to arynes providing the correspondin...
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PMID: 19719255
PDF is available here.
Abstract
In this paper, novel processable aromatic polymers with imide rings and attached as side-chain azobenzene units are presented. Polymers differ in the chemical structures of chromophores and polymer backbones. Azopolymers were obtained by a two-step synthetic approach. This includes the preparation o...
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PMID: 19585983
PDF is available here.
Abstract
The magnetically induced current densities for ring-shaped hydrocarbons are studied at the density functional theory (DFT) and second-order Møller-Plesset (MP2) levels using gauge-including atomic orbitals. The current densities are calculated using the gauge-including magnetically induced curren...
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PMID: 19586004
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Abstract
A systematic study of CH...pi, OH...pi, NH...pi, and cation...pi interactions has been done using complexes of phenylalanine in its cationic, anionic, neutral, and zwitterionic forms with CH(4), H(2)O, NH(3), and NH(4) (+) at B3LYP, MP2, MPWB1K, and M06-2X levels of theory. All noncovalent interacti...
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PMID: 19037862
PDF is available here.
Abstract
Polarizability ((alpha) and spin density (SD) of benzyl radical intermediates calculated using Gaussian O3 were correlated with the extent of anaerobic biodegradation for 17 C1 to C4 parent alkylbenzenes. The percent anaerobic biodegradation of the hydrocarbon series was determined in a previous stu...
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PMID: 19673297
PDF is available here.
Abstract
The aromatic hydrocarbons benzene, toluene and C2-benzenes (ethyl benzene and m,p,o-xylene) (BTEX) were measured during a 2-month monitoring campaign in 2007 in the Arctic town of Longyearbyen (Spitsbergen, Svalbard). Reflecting the remoteness of the location, very low mixing ratios were observed du...
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PMID: 19673266
PDF is available here.
Abstract
Our results demonstrate that strain MOB600 may play a major role in the degradation of lignin-like O-aryl alkyl ethers and various aromatic hydrocarbon pollutants in activated sludge of paper mill effluent....
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PMID: 19375147
PDF is available here.
Abstract
1) By using DGGE analysis, there were 5 dominant bands A, B, C, D and E in all tobacco leaves samples of the three varieties; In further studies, five dominant DGGE bands were isolated, cloned and sequenced. From them we screened a dominant microorganism. 2) The content of most aroma components in t...
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PMID: 19637570
PDF is available here.
Abstract
A poplar tree-phytoremediation system was installed at former refinery and tank farm sites in Cabin Creek, West Virginia, to cleanup petroleum-contaminated-soils and groundwater. Groundwater and soils in both sites were sampled and analyzed on a regular basis to monitor changes in contaminant concen...
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PMID: 19472940
PDF is available here.
Abstract
Analysis of the noncovalent, noncooperative self-association of identical aromatic molecules assumes that the equilibrium self-association constants are either independent of the number of molecules (the EK-model) or change progressively with increasing aggregation (the AK-model). The dependence of...
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PMID: 19405637
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Abstract
Alpha-fluoro-alpha-aryl-ketones were synthesized by the Pd-catalyzed cross-coupling of aryl bromides with either alpha-fluoroketones or their corresponding silyl enol ethers. The direct arylation with an alpha-fluoroketone requires a strong base, such as potassium tert-butoxide, and under these cond...
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PMID: 19343262
PDF is available here.
Abstract
A simple method for the preparation of triorganoindium reagents under mild conditions based in indium-silicon exchange is described.
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PMID: 19319390
PDF is available here.
Abstract
The discriminative stimulus effects of TCE are shared fully or partially by chlorinated and aromatic hydrocarbons as well as by halogenated volatile anesthetics. However, these compounds can be differentiated from TCE both quantitatively and qualitatively. It appears that the degree of similarity is...
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PMID: 18972104
PDF is available here.