A computational study on structure and stability of nitrogen-Doped titanium clusters TinN (n = 1-10) - Le Nguyen Ngoc LanSome concluding remarks are resulted from this theoretical study as follows: - The most stable isomers may have spin state ranging from doublet to quartet to sextet. - The ground-state structure of these clusters are built up by the nitrogen-addition rule. Thus, the nitrogen atom prefers to stay on surface of the clusters. - Doping with one...
6 trang | Chia sẻ: honghp95 | Ngày: 02/12/2020 | Lượt xem: 463 | Lượt tải: 0
Oxidation of benzyl alcohol to benzaldehyde over MnOx/sepiolite catalysts - Nguyen Thi NhuWith XRD pattern of sepiolite and MnOx/sepiolite analyzed; manganese oxide existed as Mn3O4 on sepiolite nanofibers after the precipitation from nitrate salt. The morphology of sepiolite was slightly modified after calcincation process. The Mn3O4 particles were well distributed on the surface of the fibrous sepiolite and caused slight decreas...
5 trang | Chia sẻ: honghp95 | Ngày: 01/12/2020 | Lượt xem: 521 | Lượt tải: 0
3D cytotoxic and histon deacetylase (HDAC) inhibitory activities of triterpenoids isolated from leaves of Viburnum sambucinumTwo triterpenoid hupehenol D (1) and 12β-hydoxy- 3,15-dioxo-20,21,22-23,24,25,26,27- octanordammanrane (2) derived from leaves of Viburnum sambucinum were evaluated 3D cytotoxic and HDAC inhibitory activities for the first time. They displayed strong 3D cytotoxic activity on LLC spheroids with IC50 value of 3D cell is higher 3-5 fold than 2D...
6 trang | Chia sẻ: honghp95 | Ngày: 01/12/2020 | Lượt xem: 508 | Lượt tải: 0
The contribution of free radicals in paracetamol degradation by UV/NaClO - Le Truong GiangBased on the results calculated above, we determined the relative contribution of each oxidizing agent on the PRC total degradation by UV/NaClO. The results were showed on figure 4. Based on the results showed on figure 4, we can see that the contribution of free radicals on PRC degradation is high. Particularly, at pH 5: the contribution of...
5 trang | Chia sẻ: honghp95 | Ngày: 01/12/2020 | Lượt xem: 586 | Lượt tải: 0
Triterpenes from Vitex limonifolia - Nguyen Thi Kim ThoaCompund 3 was obtained as a white powder. The 1H-NMR spectrum of 3 showed the signals of three olefinic protons at H 5.41 (s), 5.71 (dd, J = 1.5, 10.5 Hz), and 6.01 (dd, J = 3.0, 10.5 Hz), two hydroxymethine protons at H 3.37 (br s) and 4.00 (dt, J = 4.0, 11.0 Hz), and six methyl groups at H 0.75 (s), 0.88 (s), 0.99 (d, J = 6.5 Hz), 1.00 (...
5 trang | Chia sẻ: honghp95 | Ngày: 01/12/2020 | Lượt xem: 747 | Lượt tải: 0
Thermal properties, thermo-Oxidation and UV-thermo-humidity complex stability of polyethylene/modified fly ash/ultraflow compositesIn conclusion, the HDPE/MFA/UTF composites have thermal oxidative, thermal and UV-thermal – humidity complex stability higher than HDPE/MFA composite and HDPE. Adding MFA and UTF into HDPE leads to the reduction in relative crystallinity of HDPE. The polymer chains of HDPE and the HDPE/MFA, HDPE/MFA/UTF composites were degradated by irradiat...
6 trang | Chia sẻ: honghp95 | Ngày: 01/12/2020 | Lượt xem: 585 | Lượt tải: 0
A quantum chemical study on the use of complexes between Hg(II) ions and fluorescent ligands for detection of cysteine - Doan Thanh NhanIn our other published study, a Rhodaminederived Schiff base (RS) was used as a fluorescent chemosensor for detection of Hg(II) ions in water media. The fee RS is non-fluorescent compound. The reaction between Hg(II) ions and RS to form HgRS(H2O) complex led to the ring-opening of spirolactam in RS and gave rise to an obviously enhanced fluor...
8 trang | Chia sẻ: honghp95 | Ngày: 01/12/2020 | Lượt xem: 579 | Lượt tải: 0
Perspective on biomass derived bio-Oil valorization in Viet Nam - Huynh Minh ThuanCo-feeding of bio-oil with conventional feeds into refinery units (e.g. FCC) has potential for partial replacement of fossil feeds by renewable and sustainable resources in the short-term. It not only takes the advantage of the mature technologies but also reduces the capital costs due to the use of available existing infrastructure of petrol...
9 trang | Chia sẻ: honghp95 | Ngày: 01/12/2020 | Lượt xem: 548 | Lượt tải: 0
Bond dissociation enthalpies in benzene derivatives and effect of substituents: an overview of density functional theory (B3LYP) based computational approachp today, computational chemistry has evolved into a powerful tool to be used to study in many areas. In this review, the computational quantum chemical methods based on B3LYP functional have been applied to determine the bond dissociation enthalpies of a variety of substituted benzenes derivatives. In searching for suitable methods to be use...
13 trang | Chia sẻ: honghp95 | Ngày: 01/12/2020 | Lượt xem: 508 | Lượt tải: 0
Natural rubber nanocomposites - Bui ChuongNR nanocomposites with two kinds of nanofillers: organic (nanocellulose) and inorganic (silica, nanoclay) were introduced. They may be prepared by mean of all methods for polymer nanocomposite preparation. However, the most promising for industrial use are mixing in latex and melt compounding technique. The most important in NR nanocomposite...
16 trang | Chia sẻ: honghp95 | Ngày: 01/12/2020 | Lượt xem: 597 | Lượt tải: 0
