Studi In Silico Bioaktivitas Antikanker Senyawa Aktif Dalam Minyak Biji Buah Wali [Brucea javanica (L.) Merr]

Insilico study of anticancer bioactivity in oil of “buah wali” [Brucea javanica (L.) Merr] has been successfully carried out. “Buah Wali” (Brucea javanica (L.) Merr) is known to treat various diseases such as diabetes, diarrhea, and malaria. In addition, “buah wali” seeds are supported to have antidiabetic, antioxidant, and anticancer activities. The stages of the study began by taking a sample of “buah wali”seeds, then extracted to get oil of “buah wali”. While GC-MS analysis resulted Octadec-9-enoic acid (56.25%), palmitic acid (13.82%), stearic acid (10.57%), and acids -9-octadecanoate (5.91%) were found as the major components of the seed oil. Based on these compounds, docking molecular was carried out to find anticancer bioactivity. The results obtained are compounds that have lower binding energy than the native ligands [Octadec-9-enoic acid (-72.4518), hexadecanoic acid (-70.2136), octadecanoic (-72.2362).

Evolution of correlated electron behavior from the surface to the bulk in SrxCa1-xVO3

ABSTRACTWe present a detailed depth-sensitive study of the evolution in correlated electron behavior from the surface of the prototypical correlated oxide, SrxCa1-xVO3, to its bulk. Photoemission measurements of varying surface sensitivity are employed to directly compare both the spectral weight and energetics of the correlated electron features, and resonant soft x-ray emission spectroscopy is used as a bulk-sensitive reference. The surface component, which still contributes significantly to photoemission at 2.2 keV, is characterized by a transfer of spectral weight into the incoherent lower Hubbard band and the corresponding shift of these states towards lower binding energy.

An X-ray photoelectron spectroscopic study of the interaction of oxygen and nitric oxide with aluminium

The interaction of oxygen and nitric oxide with clean aluminium surfaces has been investigated by X-ray photoelectron spectroscopy. Studies have been in the main confined to the temperature range 80–290 K and pressure range 10 -6 –10 -2 Pa. The Al(2p) level is shown to exhibit a shifted component at a binding energy of ~ 74.5 eV after oxygen interaction at 80 K. A curve-fitting and deconvolution analysis of the shifted peak indicates that it is made up of two components, one at a binding energy of 74.0 eV and the other at 75.3 eV. The lower binding energy component (designated α ) develops preferentially at 80 K while the higher binding energy one ( β ), assigned to Al 2 O 3 , is dominant at 290 K. We suggest that α is an incorporated oxygen structure which is a precursor to the formation of Al 2 O 3 . The initial sticking probability of oxygen at 80 K is 0.07 while at 290 K it is 0.02. The plasmon-loss features associated with the Al(2s) peak are shown to be sensitive to oxygen adsorption and therefore useful in confirming the surface monolayer. At 290 K and an oxygen pressure of 10 4 Pa the oxide thickness is estimated to be about 0.9 nm. When NO was adsorbed at 80 K three distinct N(1s) peaks were observed at binding energies of about 397, 403 and 407 eV. We assign the 397 eV peak to N δ- ads arising from dissociation of the molecule and the two higher binding energy peaks to N δ- ads and N 2 O ads . The N(1s) peak characteristic of NO δ- ads is close to the lower binding energy peak of the two N(1s) peaks associated with N 2 O ads while the O(1s) of NO δ- ads overlaps with the O(1s) peak of the surface oxide at a binding energy of about 532 eV. Mass spectroscopic analysis of the gas phase indicated that on warming to 85 K, the adlayer formed at 80 K, N 2 O was desorbed, confirming our assignment of the core-level spectra. The NO δ- and N 2 O species are not observed at 290 K while at 80 K exposure of the adlayer to water vapour results in the complete removal of weakly adsorbed N 2 O. By monitoring the intensities of the Al(2p), N(1s) and O(1s) peaks, estimates were made of the absolute and relative concentrations of the various species and various molecular processes delineated.