Cytotoxic acetylenes from Panax quinquefolium

Three new cytotoxic polyacetylenes, PQ-1 (1), PQ-2 (2) and PQ-3 (3), have been isolated from Panax quinquefolium. The structures of these acetylenes were determined by analyses of their 1H-1H and 1H-13C COSY spectra. All these compounds exhibited strong cytotoxic activities against leukemia cells (L 1210) in tissue culture.     

A stochastic algorithm using one sample point per iteration and diminishing stepsizes

A stochastic algorithm for finding stationary points of real-valued functions defined on a Euclidean space is analyzed. It is based on the Robbins-Monro stochastic approximation procedure. Gradient evaluations are done by means of Monte Carlo simulations. At each iteratex _i , one sample point is drawn from an underlying probability space, based on which the gradient is approximated. The descent direction is against the approximation of the gradient, and the stepsize is 1/i. It is shown that, under broad conditions, w.p.1 if the sequence of iteratesx ₁,x ₂,...generated by the algorithm is bounded, then all of its accumulation points are stationary.     

Observation of the nonlinear effect in relativistic Thomson scattering of electron and laser beams

Thomson scattering of high-power laser and electron beams is a good test of electrodynamics in the high-field region. We demonstrated production of high-intensity X-rays in the head-on collision of a CO₂ laser and 60-MeV electron beams at Brookhaven National Laboratory, Accelerator Test Facility. The energy of an X-ray photon was limited at 6.5 keV in the linear (lowest order) Thomson scattering, but the nonlinear (higher order) process produces higher energy X-rays. We measured the angular distribution of the high-energy X-rays and confirmed that it agrees with theoretical predictions.     

The study and applications of photochemical-dynamical gravity wave model I

A two-dimensional, nonlinear, compressible, diabatic, nonhydrostatic photochemical-dynamical gravity wave model has been advanced. The model includes diabetic process produced by photochemistry and the effect of gravity wave on atmospheric chemical species. In the horizontal direction, the pseudospectral method is used. The finite difference approximations are used in vertical direction z and time t. The FICE method is used to solve the model. The model results on small amplitude fluctuation are very close to those of linear theory, which demonstrates the correctness of the model.

     

Formation of hydrogenated amorphous carbon films from polymer pyrolysis

Free-standing and supported hydrogenated amorphous carbon films (a:C–H) were prepared upon pyrolysis of the polymer formed by ethanolamine (EA) and citric acid (CA), under an ambient atmosphere at 300 °C. EA facilitates the formation of the macroscopic films, while CA is essential for obtaining the a:C–H microstructure, which comprises a mixture of sp² and sp³ carbon. Received: 29 May 2001 / Accepted: 17 August 2001 / Published online: 20 December 2001     

Structures and stability of Al<Subscript><Emphasis Type="Bold">7</Emphasis></Subscript>C and Al<Subscript><Emphasis Type="Bold">7</Emphasis></Subscript>N clusters

We report results of the atomic and electronic structures of Al₇C cluster using ab initio molecular dynamics with ultrasoft pseudopotentials and generalized gradient approximation. The lowest energy structure is found to be the one in which carbon atom occupies an interstitial position in Al₇ cluster. The electronic structure shows that the recent observation [Chem. Phys. Lett. 316, 31 (2000)] of magic behavior of Al₇C^- cluster is due to a large highest occupied and lowest unoccupied molecular orbital (HOMO-LUMO) gap which makes Al₇C^- chemically inert. These results have further led us to the finding of a new neutral magic cluster Al₇N which has the same number of valence electrons as in Al₇C^- and a large HOMO-LUMO gap of 1.99 eV. Further, calculations have been carried out on (Al₇N)₂ to study interaction between magic clusters. Received 28 July 2001     

Binding position of azathioprine with bovine serum albumin determined by measuring nuclear magnetic resonance relaxation time.

The interaction between azathioprine (AZ) and bovine serum albumin (BSA) is mainly due to hydrophobic binding according to the dependence of the binding constant on the ionic strength obtained by equilibrium dialysis. The binding constant and partition coefficient of AZ were smaller than those of warfarin, phenylbutazone and ibuprofen. Little variation in the proton chemical shift of AZ was observed whether there was an absence or presence of BSA (7.25 x 10(-5) M). The spin-lattice relaxation time (T1) of AZ decreased in the presence of BSA to 6-22%. The spin-spin relaxation rate (1/T2) of AZ increased 16-24 times for the methyl group and the imidazole ring and 8-13 times for the purine ring in the presence of BSA. The ratio of the spin-spin relaxation rate of the free AZ to the bound AZ ((1/T2)b/(1/T2)f) of the methyl group and the imidazole ring was 2-3 times larger than that of the purine ring. The binding of AZ to BSA was concluded to be mainly at the methyl group on the imidazole ring of AZ.     

Molecular dynamics simulation of processing using AFM pin tool

A three-dimensional molecular dynamics (MD) model is utilized to investigate the effect of tool geometry on the deformation process of the workpiece and the nature of deformation process at the atomic-scale. Results show that different states exist between the atomic force microscope (AFM) pin tool and the workpiece surface, i.e. the non-wear state, the ploughing state, the state in which ploughing is dominant and the state in which cutting plays a key role. A relationship between the deformation process of the workpiece and the potential energy variation is presented. The potential energy variation of atoms in different deformed regions in the workpiece such as plastically deformed region, elastically deformed region and the mixed deformation region is different. The features of variations of potential energy are discussed.     

Khillah extract as inhibitor for acid corrosion of SX 316 steel

The inhibitive effect of the extract of khillah (Ammi visnaga) seeds, on the corrosion of SX 316 steel in HCl solution was determined using weight loss measurements as well as potentiostatic technique. It was found that the presence of the extract reduces markedly the corrosion rate of steel in the acid solution. The inhibition efficiency increases as the extract concentration is increased. The inhibitive effect of khillah extract was discussed on the basis of adsorption of its components on the metal surface. Negative values were calculated for the energy of adsorption indicating the spontaneity of the adsorption process. The formation of insoluble complexes as a result of interaction between iron cations and khellin, which present in the extract, was also discussed.