A theoretical study of the kinetic and mechanism of intramoleccha cychcation of (1)-undeca-7,8-dien-2-yne was performed using MT methods at B3LYP and B3PW91 levels of theory using 6-311g, 6-311C.6-31 IGs*, 6-31I+G, 6-31 I4-SG and 6-3114H-Gs* basis seo. Equilibrium molecular geometries andharmonic vibrational frequencies of the reaccint, transition state and product wens calculated. Theconsidere...

The ultrafast excited-state dynamics of a cyanine dye, 3,3'-bis(3-sulfopropyl)-5,5'-dimethoxy-thiacyanine triethylaminium salt, was investigated by using conventional time-resolved fluorescence up-conversion technique. The fluorescence decay can be well described as tri-exponential kinetics, which indicates the excited-state population decays through the bond-twist, vibrational and radiative re...

The iridium(Ir) (triNHC = tri-N-heterocyclic carbene)-catalyzed transfer hydrogenation of glycerol carbonate (GC) is described in the absence additional hydride sources. reduction provides a sustainable route to produce industrially-valuable formate and lactate with high turnover numbers (TONs). bimetallic Ir(I) involving triNHC carbene ligands exhibits TONs, reaction mechanism, including Ir(tr...

A theoretical study of the kinetic and mechanism of 3-aug-Cope rearrangement in gas phase was performed usingDET methods at B3LYP levels of theory with 6-3114iG(d,p) bass set at 298.I5K. Equilibrium moleculargeometries and harmonic vibrational frequencies of the reactant, transition state Did product were calculated. Then,rate constant and activation thermodynamics parameters were calculated an...

In recent years supramolecular structures built from macrocyclic compounds have attracted tremendous interest due to the unique properties derived from dynamic self-assembly. Our study proposes a two-step mechanism to form a supramolecular hydrogel system: (1) the formation of micelles, and (2) micelle association with α-cyclodextrin (α-CD) due to threading of PEGMA in the α-CD cavity, forming ...

We aimed to evaluate the feasibility of transradial primary percutaneous coronary intervention (PCI) in patients with ST elevation myocardial infarction (STEMI) by comparing the procedural results and complications with those of transfemoral intervention. From April 1997 to October 2004, we enrolled 352 consecutive cases of STEMI who underwent primary PCI. The femoral route was used in 132 case...

Trichloroethylene (Tri) caused modest cytotoxicity in freshly isolated human proximal tubular (hPT) cells, as assessed by significant decreases in lactate dehydrogenase (LDH) activity after 1 h of exposure to 500 microM Tri. Oxidative metabolism of Tri by cytochrome P-450 to form chloral hydrate (CH) was only detectable in kidney microsomes from one patient out of four tested and was not detect...

In this paper, we introduce a new function called tri-ĝ continuous in tri-topological spaces. A map f : X → Y is if f-1(V) closed for each tri-closed set V Y. Also define, quasi tri-ĝ. perfectly tri-ĝ, contra totally and strongly maps are introduced some of their properties studied.

We point out a Z2 × Z2 symmetry which characterizes uniquely the phenomenologically successful tripartite form leading to a tri-bimaximal mixing in the neutrino mass matrix. We impose this symmetry in a set up including the charged leptons and find that it can accommodate all the possible patterns of lepton masses in the framework of type-I and type-II seesaw mechanism. We also discuss the poss...

We report on our recent progress on the manipulation of single rubidium atoms trapped in optical tweezers and the generation of entanglement between two atoms, each individually trapped in neighboring tweezers. To create an entangled state of two atoms in their ground states, we make use of the Rydberg blockade mechanism. The degree of entanglement is measured using global rotations of the inte...