Metal Organic Framework Micro/Nanopillars of Cu(BTC)·3H2O and Zn(ADC)·DMSO.

In this work, we report the optical and thermal properties of Cu(BTC)·3H2O (BTC = 1,3,5-benzenetricarboxylic acid) and Zn(ADC)·DMSO (ADC = 9,10- anthracenedicarboxylic acid, DMSO = dimethyl sulfoxide) metal-organic frameworks (MOFs) micro/nanopillars. The morphologies of MOFs on surfaces are most in the form of micro/nanopillars that were vertically oriented on the surface. The size and morphology of the pillars depend on the evaporation time, concentration, solvent, substrate, and starting volume of solutions. The crystal structures of the nanopillars and micropillars are the same, confirmed by powder XRD. Zn(ADC)·DMSO pillars have a strong blue fluorescence. Most of ADC in the pillars are in the form of monomers, which is different from ADC in the solid powder.

Structure-based drug design of diphenyl α-aminoalkylphosphonates as prostate-specific antigen antagonists.

Here, we describe the mechanism of diphenyl α-aminoalkylphosphonate ester derivatives as potent inhibitors of prostate-specific antigen (PSA), a likely protease responsible for the advancement of prostate tumor progression. The AutoDock 4.2 molecular docking suite was utilized to model covalent and noncovalent binding of this class of inhibitors to predict crystallographic poses and compare experimental IC50 dose-response curves and in silico potencies for providing future more specific rational drug design. The new lead compound R/S-diphenyl[N-benzyloxycarbonylamino(4-carbamoylphenyl)methyl]phosphonate is being reported in this study as a potent inhibitor of PSA activity (IC50 = 250 nM; AutoDock Score = -8.29/-9.14 kJ·mol(-1) for R/S). Molecular dynamics (MD) simulations using GROMACS 4.6.5 was used to obtain trajectories of the top ligand and validate key interactions in the binding complex. A hydrogen-bonding map was used to confirm interactions between the lead compound and residues THR190, SER217, and SER227 in the P1 pocket. The modeling study introduces novel aminoalkylphosphonates as a potential drug candidate for targeting PSA by optimizing P1 binding affinities.

Decomposition of L-valine under nonthermal dielectric barrier discharge plasma.

L-Valine solutions in water and phosphate buffer were treated with nonthermal plasma generated by using a dielectric barrier discharge (DBD) device and the products generated after plasma treatments were characterized by (1)H NMR and GC-MS. Our results demonstrate that L-valine is decomposed to acetone, formic acid, acetic acid, threo-methylaspartic acid, erythro-methlyaspartic acid, and pyruvic acid after direct exposure to DBD plasma. The concentrations of these compounds are time-dependent with plasma treatment. The mechanisms of L-valine under the DBD plasma are also proposed in this study. Acetone, pyruvic acid, and organic radicals (•)CHO, CH3COCH2OO(•) (acetonylperoxy), and CH3COC(OH)2OO(•) (1,1-dihydroxypropan-2-one peroxy) may be the determining chemicals in DNA damage.

Perylenetetracarboxylic diimide (PTCDI) nanowires for sensing ethyl acetate in wine.

We report the application of perylenetetracarboxylic diimide (PTCDI) nanowires for sensing ethyl acetate. The conductivity of the crystalline nano/microwires increases quickly and selectively in the presence of ethyl acetate vapor, but not with water, acid and alcohol vapors, suggesting that the nanowires of PTCDI may be used for monitoring ethyl acetate during a wine manufacturing process.