A genetic algorithm is used to optimize the modified benzene alkylation process. Based on the previous studies, the modified process increases ethylbenzene selectivity and decreases energy consumption at the same time. The inlet ethylene flow rate of each alkylation reactor is optimized in order to reduce the chance of transalkylation reactions but increase ethylbenzene selectivity. The byprodu...

We explore the origins of marked improvement in enantioselectivity inner-sphere (PHOX)Pd-catalyzed allylic alkylation N-benzoyl lactam nucleophiles over their carbocyclic counterparts. employ density functional theory calculations to aid interpretation experimental results. Ultimately, we propose that enhancement arises primarily from noncovalent interactions between substrate and ligand rather...

Investigating the alkylation and acylation of N-acylthiazolidinethione, the desired α-alkylated products and C-acylated products are not obtained, but rather the S-alkylated products and O-acylated products are obtained. The possible mechanism proposed shows that the deprotonation agent and electrophilic species are responsible for the stability of enolates. The enolates derived from N-acylthia...

A new method for the synthesis of diverse N-alkylation compounds was developed via an iron-catalyzed etheric C(sp(3))-O cleavage with the C-N bond formation in the reaction of π-activated ethers with various nitrogen-based nucleophiles. In addition, the mechanism of this reaction was investigated.

An inter- as well as intra-molecular thia-Pictet-Spengler cyclization of N-tethered thiols and vinylogous thiocarbonates is described for the stereoselective synthesis of N-fused thiazinoindole derivatives. The strategy is extended to one-pot, sequential Friedel-Crafts alkylation - Pictet-Spengler cyclization and the synthesis of thiazino-oxepino-indole.

N-Mesitylene sulfonyl and N-tosyl aziridines have been identified as effective electrophiles in alkylation reactions of carbon acids catalyzed by the organic phosphorine base BEMP; yields of up to 99% for a range of pro-nucleophiles under mild reaction conditions are reported.

Methods Reduced ovomucoid in raw eggwhite was detected using a fluorescence-labeled alkylation probe. The common antioxidants glutathione and cystein were used for in vitro linearization and effects were monitored by CD-spectrometry. Egg-allergic patients were tested serologically (n=19) and by skin prick test (n=9) for IgE against native and linearized ovomucoid and optionally its cooked state.

Tungsten complex with a coordinated 2-azidoethyl isocyanide ligand reacts with PMe3 at the azido function to give a complex with a coordinated iminophosphorane which upon hydrolysis of the P=N bond yields a complex with an NH,NH-stabilized N-heterocyclic carbene ligand, 7; alkylation of the carbene ring nitrogen atoms gives a complex with an N,N'-dialkylated imidazolidin-2-ylidene ligand, 8 .

Primary astrocyte cultures were used to investigate the modulation of DNA repair as a tool for sensitizing astrocytes to genotoxic agents. Base excision repair (BER) is the principal mechanism by which mammalian cells repair alkylation damage to DNA and involves the processing of relatively nontoxic DNA adducts through a series of cytotoxic intermediates during the course of restoring normal DN...