EGFR inhibitors, even with therapeutics superiorities in anticancer, can cause idiosyncratic pulmonary and hepatic toxicities that are associated with the reactive electrophile bioactivated by Cytochrome P450s (P450s). Until now, neither has the electrophilic intermediate been caught experimentally, nor has the subtle mechanism been declared. Herein, the underlying mechanism of bioactivation me...

in this study, functionalized β-cyclodextrin (β-cd) by aldehyde group was investigated as an oxidase enzyme mimic for the amino phenol oxidation. all calculations were performed by gaussian 09 package using two layers oniom method at the oniom (mpw1pw91/6-311++g(d,p)/uff) level. in the first step, h2o2 is encapsulated in the hydrophobic cavity. in the second step, h2o2 molecule oxidized the ald...

Abstract A highly diastereo‐ and enantioselective Mannich reaction of α ‐acetoxy‐ β ‐keto esters with isatin imine was developed. The quinine thiourea organocatalyst smoothly promoted the asymmetric to furnish various 3‐substituted‐3‐aminooxindole derivatives bearing two adjacent tetra‐substituted stereocenters in up 93 % yield, 98 ee >20 : 1 dr . transition state structure absolute configur...

Quinine is the best studied drug for treating severe malaria in very young children. Quinine may be administered in pregnancy and, at therapeutic doses, malformations have not been reported. Some strains of quinine from Southeast Asia and South America have become resistant. Quinine is the treatment of choice for the drug-resistant severe Plasmodium falciparum. The antimalarial mechanism of qui...

We discovered a 1,3-dipolar species co-existing in two different structures. Photolysis of matrix-isolated 5-phenyltetrazole generates two forms of phenylnitrile imine: propargylic and allenic. They are not resonance structures but correspond to different energy minima, representing bond-shift isomers. These distinct species were characterized spectroscopically and confirmed by calculations up ...

A new iridium catalyst containing an imine-diphosphine ligand has been developed, which showed high efficiency for the hydrogenation of CO2 to formate (yield up to 99%, TON up to 450 000). A possible catalytic mechanism is proposed, in which the imine group of the catalyst plays a key role in the cleavage of H2 and the activation of CO2.

Abstract: Introduction: Smoking is the primary cause of Chronic obstructive pulmonary disease (COPD) leading to alarming increase in worldwide death. Cigarette smoking a dangerous risk factor causing mucosal inflammation and lung damage caused by nicotine, which more addictive than other narcotics. This study was undertaken assess potential quinine ameliorating cigarette smoke extract (CSE) ind...

abstractpyrimidine nucleosides are constituents of fundamental structure of the cells. there has been considerable attentions in the chemistry of pyrimidine derivatives due to having a wide range of biological activities such as antiviral, anti-malarial agents, cytostatic, antithelemintic, antibacterial, adenosine receptor ligands, anti-cancer agents, compounds targeting delayed-type hypersensi...