Haloalkane dehalogenase from Xanthobacter autotrophicus GJ10 catalyzes the conversion of 1,2-dichloroethane to 2-chloroethanol and chloride without use of oxygen or cofactors. The active site is situated in an internal cavity, which is accessible from the solvent, even in the crystal. Crystal structures of the dehalogenase enzyme complexed with iodoacetamide, chloroacetamide, iodide, and chlori...

Calcium-activated chloride channels (CaCCs) are widely expressed in mammalian tissues, including intestinal epithelia, where they facilitate fluid secretion. Potent, selective CaCC inhibitors have not been available. We established a high-throughput screen for identification of inhibitors of a human intestinal CaCC based on inhibition of ATP/carbachol-stimulated iodide influx in HT-29 cells aft...

A methodology for predictive kinetic self-assembly modeling of bottom-up chemical synthesis of nanographene is proposed. The method maintains physical transparency in using a novel array format to efficiently store molecule information and by using array operations to determine reaction possibilities. Within a minimal model approach, the parameter space for the bond activation energies (i.e. mo...

Some dialkyl alkylphosphonates and dialkyl phenylphosphonates were synthesized by the reactions between trialkyl phosphite and alkyl/aryl halide in the presence of benzene. The synthesized compounds were characterized by elemental analysis, thin layer chromatography (TLC), fourier –transform infrared, ( 1 H, 13 C) nuclear magnetic resonance (NMR) spectroscopic techniques. In vitro fungicidal ac...

Many image processing and simulation tasks are naturally expressed as a pipeline of small computational kernels known as stencils. Halide is a popular domainspecific language and compiler designed to implement stencil algorithms. Halide uses simple language constructs to express what to compute and a separate scheduling co-language for expressing how to perform the computation. This approach ha...

We report some interesting results of the chemical reactivity of thiolate-protected [Au(25)(SCH(2)CH(2)Ph)(18)](0) nanoclusters with two types of salts, including tetraoctylammonium halide (TOAX) and NaX. At the early stage of the reaction, [Au(25)(SCH(2)CH(2)Ph)(18)](0) was found to spontaneously convert to its anionic form ([Au(25)(SCH(2)CH(2)Ph)(18)](-)) in the presence of either type of sal...

BACKGROUND Most of the benzyladenine and furfuryladenine derivatives inhibit tumor/cancer cell growth; their toxicity is lesser than the compounds used for the treatment of cancer now-a-days. Many cytokinin derivatives are tested for anticancer activity. RESULTS A series of transition metal complexes containing N(6)-benzyl/furfuryl aminopurines of formula [Mn(FAH)2(H2O)(Cl3)]2.Cl2 (1), [Co(FA...

In addition to halide oxidation, the vanadium haloperoxidases are capable of oxidizing sulfides to sulfoxides. Four vanadium complexes with tripodal amine ligands, K[VO(O(2))(heida)] (1), VO(2)(bpg) (2), K[VO(2)(ada)] (3), and K(2)[VO(O(2))(nta)] (4), previously shown to perform bromide oxidation (Colpas, G. J.; Hamstra, B. J.; Kampf, J. W.; Pecoraro, V. L. J. Am. Chem. Soc. 1996, 118, 3469-347...